| 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 | 25.6 | Very low | 35 | Very low | 133 Ų | 133 | 76.1 Ų | 76.1 | 66% | 0.655 | 40% | 0.399 | S | S | * | . | 0 | -46.6 | 0 | -81.4 | -163.8 | 174.1 | 0 | 0 | 114.8 | K3 I4 | M1-K3 VanDerWaalsContact C-N 3.29Å; M1-K3 PolarHBondContact O-N 3.38Å; M1-K3 VanDerWaalsContact O-N 3.12Å; M1-I4 PolarHBondContact O-N 3.2Å | |||
| 2 | T | 26.6 | Very low | 35.9 | Very low | 127 Ų | 127 | 78.8 Ų | 78.8 | 78% | 0.779 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -51.9 | -40.2 | -168.2 | -24.5 | 0 | 0 | 0 | 0 | 114.3 | I4 C5 | T2-I4 VanDerWaalsContact C-N 3.28Å; T2-I4 PolarHBondContact O-N 2.6Å; T2-C5 PolarHBondContact O-N 2.81Å |
| 3 | K | 29.3 | Very low | 36.4 | Very low | 64 Ų | 64 | 80 Ų | 80 | 28% | 0.278 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -71.1 | -2.6 | 177.5 | -72.4 | 178.6 | 179.2 | 163.2 | 0 | 116.4 | M1 S6 E1453 G1455 N1456 Y1457 | M1-K3 VanDerWaalsContact C-N 3.29Å; M1-K3 PolarHBondContact O-N 3.38Å; M1-K3 VanDerWaalsContact O-N 3.12Å; K3-S6 VanDerWaalsContact C-OG 3.29Å; K3-S6 PolarHBondContact O-OG 3.42Å; K3-E1453 WeakPolarHBondContact CE-OE1 3.5Å; K3-E1453 VanDerWaalsContact NZ-CD 3.32Å; K3-E1453 IonicContact NZ-OE1 2.7Å; K3-E1453 PolarHBondContact NZ-OE1 2.82Å; K3-E1453 IonicContact NZ-OE2 3.51Å; K3-E1453 PolarHBondContact NZ-OE2 3.48Å; K3-G1455 WeakPolarHBondContact CD-O 3.07Å; K3-G1455 WeakPolarHBondContact CE-O 3.35Å; K3-G1455 PolarHBondContact NZ-O 3.08Å; K3-N1456 WeakPolarHBondContact CD-O 3.39Å; K3-Y1457 VanDerWaalsContact NZ-CD2 3.29Å |
| 4 | I | 32.8 | Very low | 36.9 | Very low | 30 Ų | 30 | 76.9 Ų | 76.9 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -95.7 | -27.4 | 167.8 | -72.4 | -166.6 | 0 | 0 | 0 | 111.8 | M1 T2 S6 S7 I14 Q27 | M1-I4 PolarHBondContact O-N 3.2Å; T2-I4 VanDerWaalsContact C-N 3.28Å; T2-I4 PolarHBondContact O-N 2.6Å; I4-S6 PolarHBondContact O-N 2.77Å; I4-S7 PolarHBondContact O-N 3.03Å; I4-I14 HydrophobicContact CG2-CD1 3.61Å; I4-Q27 HydrophobicContact CD1-CG 3.69Å |
| 5 | C | 33.2 | Very low | 37.5 | Very low | 58 Ų | 58 | 79.9 Ų | 79.9 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 0.2 | 174.5 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | T2 K11 | T2-C5 PolarHBondContact O-N 2.81Å; C5-K11 VanDerWaalsContact O-CD 3.26Å; C5-K11 WeakPolarHBondContact O-CD 3.26Å; C5-K11 VanDerWaalsContact O-CE 3.29Å; C5-K11 WeakPolarHBondContact O-CE 3.45Å; C5-K11 PolarHBondContact O-NZ 3.16Å |
| 6 | S | 34.2 | Very low | 38 | Very low | 46 Ų | 46 | 82.6 Ų | 82.6 | 32% | 0.322 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -5.1 | 178.7 | 43.7 | 0 | 0 | 0 | 0 | 114.9 | K3 I4 Q1936 | K3-S6 VanDerWaalsContact C-OG 3.29Å; K3-S6 PolarHBondContact O-OG 3.42Å; I4-S6 PolarHBondContact O-N 2.77Å; S6-Q1936 WeakPolarHBondContact O-CG 3.47Å; S6-Q1936 PolarHBondContact O-NE2 2.98Å |
| 7 | S | 38.7 | Very low | 38 | Very low | 44 Ų | 44 | 78 Ų | 78 | 31% | 0.308 | 40% | 0.396 | S | S | . | . | trans | -94.5 | 126.4 | 167.8 | 171.3 | 0 | 0 | 0 | 0 | 111 | I4 K9 Y10 K11 | I4-S7 PolarHBondContact O-N 3.03Å; S7-K9 VanDerWaalsContact C-N 3.32Å; S7-K9 PolarHBondContact O-N 2.82Å; S7-Y10 PolarHBondContact O-N 3.03Å; S7-K11 WeakPolarHBondContact O-CB 3.27Å; S7-K11 PolarHBondContact O-N 2.83Å | ||
| 8 | N | 39.8 | Very low | 38.2 | Very low | 70 Ų | 70 | 80.2 Ų | 80.2 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.2 | -28.7 | 179.3 | -71.8 | -85.2 | 0 | 0 | 0 | 113.2 | K11 L12 Q1936 K1940 | N8-K11 PolarHBondContact O-N 3.03Å; N8-L12 PolarHBondContact O-N 3.16Å; N8-L12 VanDerWaalsContact O-N 3.17Å; N8-Q1936 PolarHBondContact ND2-NE2 3.33Å; N8-K1940 WeakPolarHBondContact OD1-CE 3.44Å; N8-K1940 PolarHBondContact OD1-NZ 3.35Å |
| 9 | K | 40.1 | Very low | 38.8 | Very low | 126 Ų | 126 | 82.3 Ų | 82.3 | 55% | 0.548 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 176.7 | -162.3 | 172 | -172.1 | 175.1 | 0 | 110 | S7 Q13 K2049 | S7-K9 VanDerWaalsContact C-N 3.32Å; S7-K9 PolarHBondContact O-N 2.82Å; K9-Q13 WeakPolarHBondContact O-CG 3.12Å; K9-Q13 PolarHBondContact O-N 3.27Å; K9-K2049 WeakPolarHBondContact CE-OXT 3.34Å; K9-K2049 PolarHBondContact NZ-OXT 3.46Å |
| 10 | Y | 42.2 | Very low | 38.7 | Very low | 62 Ų | 62 | 79.9 Ų | 79.9 | 24% | 0.243 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -76.2 | -35.2 | 174.5 | -59.3 | -49.5 | 0 | 0 | 0 | 113.3 | S7 L12 Q13 I14 N31 F33 | S7-Y10 PolarHBondContact O-N 3.03Å; Y10-L12 PolarHBondContact O-N 2.82Å; Y10-Q13 PolarHBondContact O-N 2.78Å; Y10-Q13 VanDerWaalsContact O-N 3.09Å; Y10-I14 VanDerWaalsContact O-CB 3.26Å; Y10-I14 WeakPolarHBondContact O-CB 3.2Å; Y10-I14 VanDerWaalsContact O-CG1 3.28Å; Y10-I14 WeakPolarHBondContact O-CG1 3.42Å; Y10-I14 PolarHBondContact O-N 3.14Å; Y10-N31 VanDerWaalsContact CE2-OD1 3.28Å; Y10-N31 WeakPolarHBondContact CE2-OD1 3.28Å; Y10-N31 PolarHBondContact OH-OD1 3Å; Y10-F33 HydrophobicContact CE1-CE1 4.46Å |
| 11 | K | 42.9 | Very low | 39.1 | Very low | 77 Ų | 77 | 79.5 Ų | 79.5 | 34% | 0.335 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.8 | -32.3 | 178.9 | -157.8 | 173.4 | -159.1 | 146.6 | 0 | 112.1 | C5 S7 N8 K15 | C5-K11 VanDerWaalsContact O-CD 3.26Å; C5-K11 WeakPolarHBondContact O-CD 3.26Å; C5-K11 VanDerWaalsContact O-CE 3.29Å; C5-K11 WeakPolarHBondContact O-CE 3.45Å; C5-K11 PolarHBondContact O-NZ 3.16Å; S7-K11 WeakPolarHBondContact O-CB 3.27Å; S7-K11 PolarHBondContact O-N 2.83Å; N8-K11 PolarHBondContact O-N 3.03Å; K11-K15 WeakPolarHBondContact O-CB 3.41Å; K11-K15 PolarHBondContact O-N 3.34Å |
| 12 | L | 45.6 | Very low | 39.9 | Very low | 108 Ų | 108 | 76.1 Ų | 76.1 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -73.4 | -42.3 | 172 | -162.2 | 75.7 | 0 | 0 | 0 | 112.4 | N8 Y10 K15 Q16 | N8-L12 PolarHBondContact O-N 3.16Å; N8-L12 VanDerWaalsContact O-N 3.17Å; Y10-L12 PolarHBondContact O-N 2.82Å; L12-K15 PolarHBondContact O-N 3.46Å; L12-Q16 WeakPolarHBondContact O-CB 3.08Å; L12-Q16 VanDerWaalsContact O-CG 3.24Å; L12-Q16 WeakPolarHBondContact O-CG 3.19Å; L12-Q16 PolarHBondContact O-N 2.9Å |
| 13 | Q | 42.7 | Very low | 40.8 | Very low | 95 Ų | 95 | 71.8 Ų | 71.8 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 179.2 | -71 | 175.9 | -35.6 | 0 | 0 | 112.7 | K9 Y10 Q16 A17 | K9-Q13 WeakPolarHBondContact O-CG 3.12Å; K9-Q13 PolarHBondContact O-N 3.27Å; Y10-Q13 PolarHBondContact O-N 2.78Å; Y10-Q13 VanDerWaalsContact O-N 3.09Å; Q13-Q16 CarbonylContact O-C 3.33Å; Q13-Q16 PolarHBondContact O-N 3.17Å; Q13-A17 PolarHBondContact O-N 3.34Å |
| 14 | I | 43.4 | Very low | 41.6 | Very low | 36 Ų | 36 | 70.9 Ų | 70.9 | 19% | 0.185 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 173.5 | -66.6 | 168.7 | 0 | 0 | 0 | 109.6 | I4 Y10 A17 L18 | I4-I14 HydrophobicContact CG2-CD1 3.61Å; Y10-I14 VanDerWaalsContact O-CB 3.26Å; Y10-I14 WeakPolarHBondContact O-CB 3.2Å; Y10-I14 VanDerWaalsContact O-CG1 3.28Å; Y10-I14 WeakPolarHBondContact O-CG1 3.42Å; Y10-I14 PolarHBondContact O-N 3.14Å; I14-A17 CarbonylContact O-C 3.54Å; I14-A17 WeakPolarHBondContact O-CB 3.48Å; I14-A17 PolarHBondContact O-N 2.86Å; I14-A17 VanDerWaalsContact O-N 3.14Å; I14-L18 HydrophobicContact CG2-CD1 3.75Å; I14-L18 HydrophobicContact CG2-CG 4.19Å; I14-L18 WeakPolarHBondContact O-CB 3.47Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.37Å; I14-L18 PolarHBondContact O-N 3.42Å |
| 15 | K | 44.7 | Very low | 42.2 | Very low | 122 Ų | 122 | 73.4 Ų | 73.4 | 53% | 0.53 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 172.2 | -175.8 | 164.9 | -179 | 175.5 | 0 | 112.1 | K11 L12 A17 L18 D19 | K11-K15 WeakPolarHBondContact O-CB 3.41Å; K11-K15 PolarHBondContact O-N 3.34Å; L12-K15 PolarHBondContact O-N 3.46Å; K15-A17 PolarHBondContact O-N 3.32Å; K15-L18 PolarHBondContact O-N 3.06Å; K15-D19 VanDerWaalsContact CE-OD1 3.26Å; K15-D19 WeakPolarHBondContact CE-OD1 3.41Å; K15-D19 WeakPolarHBondContact CE-OD2 3.43Å; K15-D19 VanDerWaalsContact CG-OD2 3.3Å; K15-D19 WeakPolarHBondContact CG-OD2 3.28Å; K15-D19 VanDerWaalsContact O-CB 3.24Å; K15-D19 WeakPolarHBondContact O-CB 3.39Å; K15-D19 PolarHBondContact O-N 2.91Å |
| 16 | Q | 45.7 | Very low | 42.6 | Very low | 123 Ų | 123 | 75.2 Ų | 75.2 | 58% | 0.575 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.6 | -21.3 | 172.1 | -75.1 | 170.8 | -22.3 | 0 | 0 | 113.5 | L12 Q13 | L12-Q16 WeakPolarHBondContact O-CB 3.08Å; L12-Q16 VanDerWaalsContact O-CG 3.24Å; L12-Q16 WeakPolarHBondContact O-CG 3.19Å; L12-Q16 PolarHBondContact O-N 2.9Å; Q13-Q16 CarbonylContact O-C 3.33Å; Q13-Q16 PolarHBondContact O-N 3.17Å |
| 17 | A | 38.5 | Very low | 42.9 | Very low | 5 Ų | 5 | 74.9 Ų | 74.9 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -84.8 | -36.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q13 I14 K15 G20 F22 I35 | Q13-A17 PolarHBondContact O-N 3.34Å; I14-A17 CarbonylContact O-C 3.54Å; I14-A17 WeakPolarHBondContact O-CB 3.48Å; I14-A17 PolarHBondContact O-N 2.86Å; I14-A17 VanDerWaalsContact O-N 3.14Å; K15-A17 PolarHBondContact O-N 3.32Å; A17-G20 CarbonylContact O-C 3.47Å; A17-G20 PolarHBondContact O-N 2.78Å; A17-G20 VanDerWaalsContact O-O 3.05Å; A17-F22 HydrophobicContact CB-CB 4.06Å; A17-F22 HydrophobicContact CB-CD2 4.29Å; A17-F22 HydrophobicContact CB-CG 4.29Å; A17-F22 WeakPolarHBondContact O-CB 3.32Å; A17-F22 VanDerWaalsContact O-CD2 3.29Å; A17-F22 WeakPolarHBondContact O-CD2 3.08Å; A17-I35 HydrophobicContact CB-CG2 4.46Å |
| 18 | L | 42.1 | Very low | 42.7 | Very low | 117 Ų | 117 | 75.9 Ų | 75.9 | 61% | 0.613 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -80.5 | -29.7 | 179.5 | -68.2 | 173.3 | 0 | 0 | 0 | 113.4 | I14 K15 G20 | I14-L18 HydrophobicContact CG2-CD1 3.75Å; I14-L18 HydrophobicContact CG2-CG 4.19Å; I14-L18 WeakPolarHBondContact O-CB 3.47Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.37Å; I14-L18 PolarHBondContact O-N 3.42Å; K15-L18 PolarHBondContact O-N 3.06Å; L18-G20 PolarHBondContact O-N 3.02Å |
| 19 | D | 49.7 | Very low | 42.5 | Very low | 120 Ų | 120 | 74 Ų | 74 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 1.3 | 168.7 | -64.3 | -10.7 | 0 | 0 | 0 | 111.3 | K15 | K15-D19 VanDerWaalsContact CE-OD1 3.26Å; K15-D19 WeakPolarHBondContact CE-OD1 3.41Å; K15-D19 WeakPolarHBondContact CE-OD2 3.43Å; K15-D19 VanDerWaalsContact CG-OD2 3.3Å; K15-D19 WeakPolarHBondContact CG-OD2 3.28Å; K15-D19 VanDerWaalsContact O-CB 3.24Å; K15-D19 WeakPolarHBondContact O-CB 3.39Å; K15-D19 PolarHBondContact O-N 2.91Å |
| 20 | G | 37 | Very low | 42.5 | Very low | 35 Ų | 35 | 70 Ų | 70 | 36% | 0.361 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -179.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A17 L18 F22 | A17-G20 CarbonylContact O-C 3.47Å; A17-G20 PolarHBondContact O-N 2.78Å; A17-G20 VanDerWaalsContact O-O 3.05Å; L18-G20 PolarHBondContact O-N 3.02Å; G20-F22 PolarHBondContact O-N 3.09Å |
| 21 | N | 46.3 | Very low | 42.6 | Very low | 71 Ų | 71 | 69.5 Ų | 69.5 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 45 | -175.1 | -111.2 | -26.4 | 0 | 0 | 0 | 112.9 | Q37 K38 | N21-Q37 CarbonylContact O-C 3.56Å; N21-K38 HydrophobicContact CB-CB 4.46Å; N21-K38 WeakPolarHBondContact CB-O 3.47Å; N21-K38 WeakPolarHBondContact O-CB 3.34Å; N21-K38 PolarHBondContact O-N 2.91Å |
| 22 | F | 43.4 | Very low | 42.7 | Very low | 62 Ų | 62 | 65.8 Ų | 65.8 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.2 | -173.8 | -50.9 | -100.1 | 0 | 0 | 0 | 113.9 | A17 G20 I35 I36 Q37 | A17-F22 HydrophobicContact CB-CB 4.06Å; A17-F22 HydrophobicContact CB-CD2 4.29Å; A17-F22 HydrophobicContact CB-CG 4.29Å; A17-F22 WeakPolarHBondContact O-CB 3.32Å; A17-F22 VanDerWaalsContact O-CD2 3.29Å; A17-F22 WeakPolarHBondContact O-CD2 3.08Å; G20-F22 PolarHBondContact O-N 3.09Å; F22-I35 HydrophobicContact CB-CG2 3.82Å; F22-I35 HydrophobicContact CD1-CG2 3.56Å; F22-I35 HydrophobicContact CE1-CG2 4.41Å; F22-I35 HydrophobicContact CG-CG2 4Å; F22-I36 CarbonylContact C-O 3.54Å; F22-I36 VanDerWaalsContact CA-O 3.3Å; F22-I36 WeakPolarHBondContact CA-O 3.46Å; F22-Q37 HydrophobicContact CD1-CB 3.52Å; F22-Q37 HydrophobicContact CD1-CG 3.83Å; F22-Q37 HydrophobicContact CE1-CB 3.54Å; F22-Q37 HydrophobicContact CE1-CG 3.51Å; F22-Q37 HydrophobicContact CZ-CG 4.05Å |
| 23 | I | 44.6 | Very low | 42.6 | Very low | 36 Ų | 36 | 62.9 Ų | 62.9 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.2 | 174.3 | -32.2 | 178.6 | 0 | 0 | 0 | 109.2 | L25 I35 I36 L198 | I23-L25 HydrophobicContact CB-CG 4.26Å; I23-L25 HydrophobicContact CG2-CD2 3.61Å; I23-L25 HydrophobicContact CG2-CG 3.84Å; I23-I35 CarbonylContact O-C 3.34Å; I23-I35 WeakPolarHBondContact O-CA 3.48Å; I23-I36 HydrophobicContact CB-CB 4.4Å; I23-I36 PolarHBondContact N-O 3.46Å; I23-I36 PolarHBondContact O-N 3.1Å; I23-L198 HydrophobicContact CD1-CD1 3.63Å; I23-L198 HydrophobicContact CD1-CD2 4.3Å; I23-L198 HydrophobicContact CD1-CG 3.89Å; I23-L198 HydrophobicContact CG1-CD1 3.91Å; I23-L198 HydrophobicContact CG1-CD2 4.11Å; I23-L198 HydrophobicContact CG1-CG 4.21Å; I23-L198 HydrophobicContact CG2-CD2 4.17Å |
| 24 | V | 45.6 | Very low | 42.8 | Very low | 46 Ų | 46 | 58.5 Ų | 58.5 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 111.6 | 168.4 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | I34 I35 | V24-I34 WeakPolarHBondContact CA-O 3.46Å; V24-I35 HydrophobicContact CG2-CG1 4.4Å |
| 25 | L | 45.6 | Very low | 42.9 | Very low | 83 Ų | 83 | 57.9 Ų | 57.9 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | trans | -106.6 | -25.7 | -169.1 | -76.7 | -177.9 | 0 | 0 | 0 | 116.5 | I23 I34 I36 L125 | I23-L25 HydrophobicContact CB-CG 4.26Å; I23-L25 HydrophobicContact CG2-CD2 3.61Å; I23-L25 HydrophobicContact CG2-CG 3.84Å; L25-I34 PolarHBondContact N-O 2.82Å; L25-I34 VanDerWaalsContact N-O 3.09Å; L25-I36 HydrophobicContact CD1-CD1 3.6Å; L25-I36 HydrophobicContact CD1-CG1 4.18Å; L25-L125 HydrophobicContact CB-CD2 4.02Å; L25-L125 HydrophobicContact CD1-CD2 3.9Å | ||
| 26 | Y | 42 | Very low | 43 | Very low | 96 Ų | 96 | 52.7 Ų | 52.7 | 38% | 0.376 | 28% | 0.284 | S | S | . | . | trans | -154.7 | 149.2 | -176.8 | -149.6 | -132.6 | 0 | 0 | 0 | 113.6 | P28 F33 I34 V120 V124 | Y26-P28 HydrophobicContact CD1-CB 4.13Å; Y26-P28 HydrophobicContact CD1-CG 3.88Å; Y26-P28 HydrophobicContact CE1-CB 3.78Å; Y26-P28 HydrophobicContact CE1-CG 4.04Å; Y26-F33 WeakPolarHBondContact O-CA 3.44Å; Y26-I34 PolarHBondContact O-N 3.03Å; Y26-V120 HydrophobicContact CD1-CG1 4.3Å; Y26-V124 HydrophobicContact CD1-CG1 4.05Å; Y26-V124 HydrophobicContact CD2-CG1 3.96Å; Y26-V124 HydrophobicContact CE1-CG1 4.1Å; Y26-V124 HydrophobicContact CE1-CG2 4.43Å; Y26-V124 HydrophobicContact CE2-CG1 4.02Å; Y26-V124 HydrophobicContact CG-CG1 4.01Å | ||
| 27 | Q | 39.9 | Very low | 43.1 | Very low | 39 Ų | 39 | 49 Ų | 49 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | trans | -143.4 | 65 | -178.4 | -166 | -137.5 | -59 | 0 | 0 | 111.4 | I4 A29 S32 | I4-Q27 HydrophobicContact CD1-CG 3.69Å; Q27-A29 PolarHBondContact NE2-O 3.47Å; Q27-A29 PolarHBondContact O-N 2.67Å; Q27-S32 VanDerWaalsContact CG-O 3.32Å; Q27-S32 WeakPolarHBondContact CG-O 3.33Å | ||
| 28 | P | 35.8 | Very low | 43.3 | Very low | 64 Ų | 64 | 51.3 Ų | 51.3 | 42% | 0.416 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -67.2 | -17.5 | -174 | 24.7 | -32.2 | 0 | 0 | 0 | 115 | Y26 S32 L93 | Y26-P28 HydrophobicContact CD1-CB 4.13Å; Y26-P28 HydrophobicContact CD1-CG 3.88Å; Y26-P28 HydrophobicContact CE1-CB 3.78Å; Y26-P28 HydrophobicContact CE1-CG 4.04Å; P28-S32 VanDerWaalsContact CD-OG 3.22Å; P28-S32 WeakPolarHBondContact CD-OG 3.38Å; P28-L93 HydrophobicContact CG-CD2 3.5Å; P28-L93 HydrophobicContact CG-CG 4.12Å |
| 29 | A | 35.5 | Very low | 43.4 | Very low | 32 Ų | 32 | 48.8 Ų | 48.8 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -140.9 | 158.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q27 S32 | Q27-A29 PolarHBondContact NE2-O 3.47Å; Q27-A29 PolarHBondContact O-N 2.67Å; A29-S32 PolarHBondContact N-OG 2.79Å; A29-S32 WeakPolarHBondContact O-CB 3.34Å; A29-S32 PolarHBondContact O-N 3.17Å; A29-S32 PolarHBondContact O-OG 3.46Å |
| 30 | P | 39.1 | Very low | 42.7 | Very low | 40 Ų | 40 | 49.6 Ų | 49.6 | 26% | 0.26 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 149.8 | 164.9 | 25.8 | -34.6 | 0 | 0 | 0 | 110.9 | S32 S1458 | P30-S32 PolarHBondContact O-N 3.15Å; P30-S1458 WeakPolarHBondContact CG-OG 3.38Å |
| 31 | N | 44.6 | Very low | 42.3 | Very low | 52 Ų | 52 | 50.5 Ų | 50.5 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 1.3 | -171.7 | -52.5 | -67.4 | 0 | 0 | 0 | 116.7 | Y10 Q92 | Y10-N31 VanDerWaalsContact CE2-OD1 3.28Å; Y10-N31 WeakPolarHBondContact CE2-OD1 3.28Å; Y10-N31 PolarHBondContact OH-OD1 3Å; N31-Q92 HydrophobicContact CB-CG 4.46Å |
| 32 | S | 44.2 | Very low | 41.4 | Very low | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -92 | 143.2 | 170.7 | 79.5 | 0 | 0 | 0 | 0 | 111.4 | Q27 P28 A29 P30 Q92 | Q27-S32 VanDerWaalsContact CG-O 3.32Å; Q27-S32 WeakPolarHBondContact CG-O 3.33Å; P28-S32 VanDerWaalsContact CD-OG 3.22Å; P28-S32 WeakPolarHBondContact CD-OG 3.38Å; A29-S32 PolarHBondContact N-OG 2.79Å; A29-S32 WeakPolarHBondContact O-CB 3.34Å; A29-S32 PolarHBondContact O-N 3.17Å; A29-S32 PolarHBondContact O-OG 3.46Å; P30-S32 PolarHBondContact O-N 3.15Å; S32-Q92 WeakPolarHBondContact CB-O 3.44Å | ||
| 33 | F | 45.2 | Very low | 40.7 | Very low | 47 Ų | 47 | 57 Ų | 57 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | trans | -157.5 | 149.8 | 175.8 | 51.1 | -99.7 | 0 | 0 | 0 | 111.8 | Y10 Y26 I35 G90 | Y10-F33 HydrophobicContact CE1-CE1 4.46Å; Y26-F33 WeakPolarHBondContact O-CA 3.44Å; F33-I35 HydrophobicContact CD2-CD1 3.59Å; F33-I35 HydrophobicContact CD2-CG1 3.82Å; F33-I35 HydrophobicContact CE2-CD1 3.72Å; F33-I35 HydrophobicContact CE2-CG1 4.4Å; F33-I35 HydrophobicContact CG-CD1 4.5Å; F33-G90 VanDerWaalsContact CE2-CA 3.49Å; F33-G90 PolarHBondContact O-N 2.92Å | ||
| 34 | I | 45.6 | Very low | 39.7 | Very low | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116 | 168.7 | -55.3 | -177.9 | 0 | 0 | 0 | 108.1 | V24 L25 Y26 I36 V87 L93 V120 L125 | V24-I34 WeakPolarHBondContact CA-O 3.46Å; L25-I34 PolarHBondContact N-O 2.82Å; L25-I34 VanDerWaalsContact N-O 3.09Å; Y26-I34 PolarHBondContact O-N 3.03Å; I34-I36 HydrophobicContact CG2-CD1 4.48Å; I34-I36 HydrophobicContact CG2-CG1 4.04Å; I34-V87 HydrophobicContact CG2-CG1 3.84Å; I34-L93 HydrophobicContact CD1-CD1 4.13Å; I34-L93 HydrophobicContact CD1-CD2 4.17Å; I34-L93 HydrophobicContact CG1-CD1 3.54Å; I34-L93 HydrophobicContact CG1-CD2 4.39Å; I34-V120 HydrophobicContact CD1-CG1 3.57Å; I34-L125 HydrophobicContact CD1-CD1 4.16Å; I34-L125 HydrophobicContact CD1-CD2 4.19Å; I34-L125 HydrophobicContact CD1-CG 4.4Å; I34-L125 HydrophobicContact CG2-CD1 4.17Å; I34-L125 HydrophobicContact CG2-CD2 4.43Å |
| 35 | I | 45.7 | Very low | 38.9 | Very low | 23 Ų | 23 | 67.2 Ų | 67.2 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 113.3 | 179.6 | -67.4 | 172.4 | 0 | 0 | 0 | 107.8 | A17 F22 I23 V24 F33 V88 | A17-I35 HydrophobicContact CB-CG2 4.46Å; F22-I35 HydrophobicContact CB-CG2 3.82Å; F22-I35 HydrophobicContact CD1-CG2 3.56Å; F22-I35 HydrophobicContact CE1-CG2 4.41Å; F22-I35 HydrophobicContact CG-CG2 4Å; I23-I35 CarbonylContact O-C 3.34Å; I23-I35 WeakPolarHBondContact O-CA 3.48Å; V24-I35 HydrophobicContact CG2-CG1 4.4Å; F33-I35 HydrophobicContact CD2-CD1 3.59Å; F33-I35 HydrophobicContact CD2-CG1 3.82Å; F33-I35 HydrophobicContact CE2-CD1 3.72Å; F33-I35 HydrophobicContact CE2-CG1 4.4Å; F33-I35 HydrophobicContact CG-CD1 4.5Å; I35-V88 HydrophobicContact CB-CB 4.23Å; I35-V88 PolarHBondContact N-O 3.27Å; I35-V88 PolarHBondContact O-N 2.94Å |
| 36 | I | 47.2 | Very low | 38 | Very low | 14 Ų | 14 | 72.1 Ų | 72.1 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 109 | 179.3 | -59.8 | -157.7 | 0 | 0 | 0 | 110.2 | F22 I23 L25 I34 K38 F85 V87 L125 | F22-I36 CarbonylContact C-O 3.54Å; F22-I36 VanDerWaalsContact CA-O 3.3Å; F22-I36 WeakPolarHBondContact CA-O 3.46Å; I23-I36 HydrophobicContact CB-CB 4.4Å; I23-I36 PolarHBondContact N-O 3.46Å; I23-I36 PolarHBondContact O-N 3.1Å; L25-I36 HydrophobicContact CD1-CD1 3.6Å; L25-I36 HydrophobicContact CD1-CG1 4.18Å; I34-I36 HydrophobicContact CG2-CD1 4.48Å; I34-I36 HydrophobicContact CG2-CG1 4.04Å; I36-K38 PolarHBondContact O-N 3.01Å; I36-F85 HydrophobicContact CG2-CB 3.83Å; I36-F85 HydrophobicContact CG2-CD1 3.5Å; I36-F85 VanDerWaalsContact CG2-CD1 3.5Å; I36-F85 HydrophobicContact CG2-CE1 4.36Å; I36-F85 HydrophobicContact CG2-CG 3.93Å; I36-V87 HydrophobicContact CD1-CG2 4.23Å; I36-V87 HydrophobicContact CG1-CG1 4.47Å; I36-V87 HydrophobicContact CG1-CG2 4.34Å; I36-L125 HydrophobicContact CD1-CD1 4.45Å |
| 37 | Q | 46.6 | Very low | 37.3 | Very low | 44 Ų | 44 | 73.7 Ų | 73.7 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 120.9 | 171.9 | -167.8 | -176.1 | -1.3 | 0 | 0 | 110.5 | N21 F22 N39 F85 R86 | N21-Q37 CarbonylContact O-C 3.56Å; F22-Q37 HydrophobicContact CD1-CB 3.52Å; F22-Q37 HydrophobicContact CD1-CG 3.83Å; F22-Q37 HydrophobicContact CE1-CB 3.54Å; F22-Q37 HydrophobicContact CE1-CG 3.51Å; F22-Q37 HydrophobicContact CZ-CG 4.05Å; Q37-N39 PolarHBondContact NE2-OD1 2.95Å; Q37-N39 PolarHBondContact O-N 3.1Å; Q37-F85 CarbonylContact O-C 3.52Å; Q37-F85 VanDerWaalsContact O-CA 3.3Å; Q37-F85 WeakPolarHBondContact O-CA 3.32Å; Q37-R86 HydrophobicContact CB-CB 3.86Å; Q37-R86 PolarHBondContact N-O 3.36Å; Q37-R86 PolarHBondContact O-N 3.28Å |
| 38 | K | 44.1 | Very low | 36.7 | Very low | 54 Ų | 54 | 77.5 Ų | 77.5 | 24% | 0.235 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 99.4 | 171.6 | -174.9 | -171.1 | -177.3 | -168.4 | 0 | 109.3 | N21 I36 E40 F85 L198 | N21-K38 HydrophobicContact CB-CB 4.46Å; N21-K38 WeakPolarHBondContact CB-O 3.47Å; N21-K38 WeakPolarHBondContact O-CB 3.34Å; N21-K38 PolarHBondContact O-N 2.91Å; I36-K38 PolarHBondContact O-N 3.01Å; K38-E40 PolarHBondContact O-N 3.34Å; K38-F85 HydrophobicContact CB-CE1 4.44Å; K38-F85 HydrophobicContact CG-CE1 4.35Å; K38-L198 HydrophobicContact CD-CD1 3.84Å |
| 39 | N | 43.5 | Very low | 36.5 | Very low | 65 Ų | 65 | 81.5 Ų | 81.5 | 35% | 0.348 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 114.1 | 175 | -89.8 | -24.7 | 0 | 0 | 0 | 110.3 | Q37 R84 | Q37-N39 PolarHBondContact NE2-OD1 2.95Å; Q37-N39 PolarHBondContact O-N 3.1Å; N39-R84 HydrophobicContact CB-CB 3.77Å; N39-R84 WeakPolarHBondContact CB-O 3.34Å; N39-R84 PolarHBondContact N-O 3.04Å |
| 40 | E | 36.1 | Very low | 36.1 | Very low | 137 Ų | 137 | 85.1 Ų | 85.1 | 64% | 0.64 | 44% | 0.44 | S | S | * | . | trans | -69.9 | 134.9 | 169.2 | -62.9 | -173 | 148.3 | 0 | 0 | 110.5 | K38 I42 | K38-E40 PolarHBondContact O-N 3.34Å; E40-I42 PolarHBondContact O-N 3.38Å; E40-I42 VanDerWaalsContact O-N 3.14Å | ||
| 41 | G | 27.9 | Very low | 35.5 | Very low | 54 Ų | 54 | 88.3 Ų | 88.3 | 56% | 0.557 | 45% | 0.454 | S | S | * | . | trans | -81.9 | 92.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 42 | I | 27.3 | Very low | 34.7 | Very low | 167 Ų | 167 | 90.4 Ų | 90.4 | 86% | 0.856 | 46% | 0.462 | S | S | * | . | trans | -71.1 | 132.3 | 163.8 | -59.9 | 179.6 | 0 | 0 | 0 | 109.1 | E40 | E40-I42 PolarHBondContact O-N 3.38Å; E40-I42 VanDerWaalsContact O-N 3.14Å | ||
| 43 | T | 27.7 | Very low | 33.8 | Very low | 102 Ų | 102 | 95.7 Ų | 95.7 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | trans | -100.2 | 132 | -175.7 | 47.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 44 | H | 25.4 | Very low | 32.9 | Very low | 168 Ų | 168 | 99.1 Ų | 99.1 | 78% | 0.778 | 50% | 0.503 | S | S | * | . | trans | 57.2 | 145.2 | 148 | -95.7 | -86.5 | 0 | 0 | 0 | 121.4 | ||||
| 45 | N | 27.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 102.9 Ų | 102.9 | 69% | 0.69 | 53% | 0.53 | S | S | * | . | trans | 66.8 | 89 | 153.1 | -55.8 | -4 | 0 | 0 | 0 | 118.3 | ||||
| 46 | K | 28.1 | Very low | 30.9 | Very low | 185 Ų | 185 | 108.7 Ų | 108.7 | 80% | 0.804 | 56% | 0.557 | S | S | * | * | -168.8 | 133.4 | 110.8 | -94.5 | 159.4 | -180 | -170.3 | 0 | 108.8 | |||||
| 47 | I | 26.6 | Very low | 30 | Very low | 130 Ų | 130 | 114.1 Ų | 114.1 | 67% | 0.667 | 58% | 0.581 | S | S | * | * | 69.6 | 117 | 62.3 | -67 | 166.4 | 0 | 0 | 0 | 108.1 | |||||
| 48 | D | 27.3 | Very low | 29.1 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | cis | -160.3 | 170.6 | 17.2 | -108.1 | -10 | 0 | 0 | 0 | 114.3 | ||||
| 49 | H | 30.5 | Very low | 28.4 | Very low | 147 Ų | 147 | 121.2 Ų | 121.2 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | trans | 51.6 | 138 | 153.9 | -65 | -54 | 0 | 0 | 0 | 120.4 | ||||
| 50 | N | 28.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | cis | -144.3 | 155.1 | -5.7 | -87.4 | -27.7 | 0 | 0 | 0 | 106.9 | L418 | N50-L418 VanDerWaalsContact C-CD1 3.42Å; N50-L418 WeakPolarHBondContact O-CD1 3.4Å | ||
| 51 | I | 26.1 | Very low | 27.2 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 55% | 0.549 | 64% | 0.635 | S | S | . | * | cis | 102.6 | 120 | 26.4 | -68.5 | 172.5 | 0 | 0 | 0 | 113.6 | L418 | I51-L418 VanDerWaalsContact C-CD1 3.47Å; I51-L418 VanDerWaalsContact N-CD1 3.27Å; I51-L418 WeakPolarHBondContact O-CD1 2.78Å; I51-L418 WeakPolarHBondContact O-CD2 3.41Å | ||
| 52 | H | 28.2 | Very low | 27.2 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 44% | 0.44 | 65% | 0.647 | S | S | . | * | trans | 79.1 | 158 | -167 | -51.5 | -64.4 | 0 | 0 | 0 | 115.5 | E54 L418 | H52-E54 IonicContact CE1-OE1 2.83Å; H52-E54 IonicContact CG-OE1 3.74Å; H52-E54 IonicContact ND1-OE1 3.83Å; H52-E54 PolarHBondContact ND1-OE1 2.97Å; H52-L418 HydrophobicContact CB-CD2 3.86Å; H52-L418 VanDerWaalsContact O-CD1 3.3Å; H52-L418 WeakPolarHBondContact O-CD1 3.5Å; H52-L418 VanDerWaalsContact O-CD2 3.29Å; H52-L418 WeakPolarHBondContact O-CD2 3.22Å; H52-L418 VanDerWaalsContact O-CG 3.29Å; H52-L418 WeakPolarHBondContact O-CG 3.3Å | ||
| 53 | Q | 25.8 | Very low | 27.1 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 52% | 0.523 | 64% | 0.636 | S | S | . | * | cis | -128 | 109.4 | -15.7 | -145.4 | 133.6 | 22.3 | 0 | 0 | 106.4 | L417 | Q53-L417 HydrophobicContact CB-CD2 4.45Å; Q53-L417 WeakPolarHBondContact O-CD1 3.39Å; Q53-L417 WeakPolarHBondContact O-CD2 3.48Å | ||
| 54 | E | 24.6 | Very low | 27 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | 62.1 | 97.5 | 107 | -71.5 | 139.6 | -125.9 | 0 | 0 | 111.5 | H52 | H52-E54 IonicContact CE1-OE1 2.83Å; H52-E54 IonicContact CG-OE1 3.74Å; H52-E54 IonicContact ND1-OE1 3.83Å; H52-E54 PolarHBondContact ND1-OE1 2.97Å | |||
| 55 | S | 24.6 | Very low | 27.1 | Very low | 82 Ų | 82 | 121.1 Ų | 121.1 | 57% | 0.573 | 64% | 0.635 | S | S | * | * | 78.3 | 174 | 65.4 | 71.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 56 | E | 24.9 | Very low | 27 | Very low | 144 Ų | 144 | 121.7 Ų | 121.7 | 67% | 0.673 | 64% | 0.637 | S | S | * | * | trans | 71.7 | 146.8 | 154.5 | -70.9 | 154.2 | -127.7 | 0 | 0 | 116.6 | ||||
| 57 | H | 28.6 | Very low | 27 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 59% | 0.593 | 63% | 0.633 | S | S | * | * | cis | -136.1 | 141.1 | 8.6 | -113.9 | -18.3 | 0 | 0 | 0 | 109.3 | ||||
| 58 | H | 28.8 | Very low | 27 | Very low | 139 Ų | 139 | 118.8 Ų | 118.8 | 64% | 0.644 | 64% | 0.636 | S | S | * | * | 67.1 | 146.7 | 110.3 | -73.9 | -22.6 | 0 | 0 | 0 | 114.7 | |||||
| 59 | D | 28.5 | Very low | 27 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 58% | 0.578 | 64% | 0.644 | S | S | * | * | cis | -174.7 | 178.2 | 1.1 | -111.2 | -2.1 | 0 | 0 | 0 | 108.6 | ||||
| 60 | N | 29.8 | Very low | 26.9 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | cis | -144 | 162.2 | -15.5 | -139 | -35.2 | 0 | 0 | 0 | 109.6 | ||||
| 61 | L | 23.7 | Very low | 26.7 | Very low | 142 Ų | 142 | 119.5 Ų | 119.5 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | trans | -39.8 | 145.8 | 148.3 | -63.4 | 147.4 | 0 | 0 | 0 | 113.2 | ||||
| 62 | N | 28.6 | Very low | 26.7 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | trans | 162.3 | 146.9 | 133.5 | -83.3 | -26.9 | 0 | 0 | 0 | 111.4 | ||||
| 63 | S | 25.9 | Very low | 26.6 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 62% | 0.622 | 68% | 0.683 | S | S | * | * | cis | -169.6 | 178.6 | -16.6 | 53.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 64 | S | 25.4 | Very low | 26.6 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 59% | 0.587 | 69% | 0.693 | S | S | * | * | trans | 34.2 | 121.1 | 144.5 | 59.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 65 | S | 27.6 | Very low | 26.6 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | -172.3 | 141.6 | 65.1 | 34.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 66 | I | 25.1 | Very low | 26.7 | Very low | 141 Ų | 141 | 134 Ų | 134 | 72% | 0.723 | 71% | 0.71 | S | S | * | * | cis | 103.6 | 142.6 | 39.1 | -75.1 | 166.1 | 0 | 0 | 0 | 111.6 | ||||
| 67 | N | 27.6 | Very low | 26.6 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | 71.2 | 116.5 | -175.3 | -61 | -8.1 | 0 | 0 | 0 | 115.7 | ||||
| 68 | T | 26 | Very low | 26.4 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | cis | 87.1 | 120.1 | 28.4 | 76.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 69 | N | 28.4 | Very low | 26.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 168.9 | 139.2 | 143.7 | -84.4 | -7.6 | 0 | 0 | 0 | 107.3 | ||||
| 70 | D | 27.6 | Very low | 26 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | cis | -160.2 | -171.1 | -25.8 | -155 | -17.9 | 0 | 0 | 0 | 108.6 | ||||
| 71 | C | 24.3 | Very low | 25.7 | Very low | 90 Ų | 90 | 151.1 Ų | 151.1 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | 82.2 | 96.1 | 166.3 | -69.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 72 | Q | 26.3 | Very low | 25.8 | Very low | 184 Ų | 184 | 156.2 Ų | 156.2 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | 63.5 | 136.6 | 122.6 | -63.4 | 174.6 | 42.6 | 0 | 0 | 119.9 | |||||
| 73 | S | 27.6 | Very low | 25.8 | Very low | 115 Ų | 115 | 154.4 Ų | 154.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | cis | -150.4 | 166.6 | 5.2 | 68.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 74 | K | 24.8 | Very low | 25.9 | Very low | 170 Ų | 170 | 159.2 Ų | 159.2 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | -63 | 152.5 | -175.7 | -55 | 146.4 | -178.7 | 171.2 | 0 | 113.2 | ||||
| 75 | Y | 24.1 | Very low | 26.3 | Very low | 195 Ų | 195 | 160.6 Ų | 160.6 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | -179.8 | 152.6 | 98.4 | -103.1 | -72.5 | 0 | 0 | 0 | 116.7 | |||||
| 76 | H | 27.3 | Very low | 26.7 | Very low | 156 Ų | 156 | 163 Ų | 163 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 51.7 | 92.7 | 159.1 | -74.2 | -51.4 | 0 | 0 | 0 | 123.2 | ||||
| 77 | S | 23 | Very low | 27.4 | Very low | 106 Ų | 106 | 158.4 Ų | 158.4 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -41.7 | 133.8 | 143 | 56.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 78 | R | 24.4 | Very low | 28.1 | Very low | 251 Ų | 251 | 155 Ų | 155 | 95% | 0.947 | 72% | 0.716 | S | S | * | * | trans | -136.6 | 114.5 | 145.8 | -90.1 | -171.7 | 172.5 | 178.3 | -0.9 | 110.9 | ||||
| 79 | R | 22.7 | Very low | 29 | Very low | 242 Ų | 242 | 151.1 Ų | 151.1 | 91% | 0.913 | 69% | 0.69 | S | S | * | * | trans | -72.5 | 132.2 | 171.2 | -69.8 | 172.2 | 168.6 | 172.9 | -5.2 | 109.9 | ||||
| 80 | Q | 26.1 | Very low | 29.7 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 88% | 0.879 | 65% | 0.652 | S | S | * | * | trans | -159.4 | 120.8 | 151.3 | -113 | 162.8 | 32.1 | 0 | 0 | 113.7 | ||||
| 81 | R | 23.6 | Very low | 30.6 | Very low | 201 Ų | 201 | 141 Ų | 141 | 76% | 0.758 | 64% | 0.641 | S | S | * | * | trans | 40.3 | 92.5 | 159.7 | -66 | 179.6 | 170.3 | 168.3 | -3.7 | 118.2 | Q83 | R81-Q83 PolarHBondContact O-N 3.02Š| ||
| 82 | R | 25.1 | Very low | 31.6 | Very low | 249 Ų | 249 | 141.3 Ų | 141.3 | 94% | 0.94 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 120.6 | 155.4 | -73.8 | -177.8 | 173.2 | 177.1 | -4.1 | 109.3 | ||
| 83 | Q | 29.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 135 | 168.8 | -62.8 | -173.7 | 23.2 | 0 | 0 | 108.7 | R81 F85 | R81-Q83 PolarHBondContact O-N 3.02Å; Q83-F85 HydrophobicContact CB-CE2 4.26Å; Q83-F85 HydrophobicContact CB-CZ 4.05Å |
| 84 | R | 27.9 | Very low | 33.2 | Very low | 190 Ų | 190 | 130 Ų | 130 | 72% | 0.717 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 132.3 | 175.7 | -76.8 | 177.5 | 176.7 | 170.5 | -2 | 108.5 | N39 | N39-R84 HydrophobicContact CB-CB 3.77Å; N39-R84 WeakPolarHBondContact CB-O 3.34Å; N39-R84 PolarHBondContact N-O 3.04Å |
| 85 | F | 33.4 | Very low | 33.9 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.3 | 175.7 | -65.5 | -63.1 | 0 | 0 | 0 | 110.5 | I36 Q37 K38 Q83 | I36-F85 HydrophobicContact CG2-CB 3.83Å; I36-F85 HydrophobicContact CG2-CD1 3.5Å; I36-F85 VanDerWaalsContact CG2-CD1 3.5Å; I36-F85 HydrophobicContact CG2-CE1 4.36Å; I36-F85 HydrophobicContact CG2-CG 3.93Å; Q37-F85 CarbonylContact O-C 3.52Å; Q37-F85 VanDerWaalsContact O-CA 3.3Å; Q37-F85 WeakPolarHBondContact O-CA 3.32Å; K38-F85 HydrophobicContact CB-CE1 4.44Å; K38-F85 HydrophobicContact CG-CE1 4.35Å; Q83-F85 HydrophobicContact CB-CE2 4.26Å; Q83-F85 HydrophobicContact CB-CZ 4.05Å |
| 86 | R | 37.1 | Very low | 34.8 | Very low | 162 Ų | 162 | 120.8 Ų | 120.8 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 107.6 | 170.4 | -159.1 | -171.5 | -171 | -176.8 | 3.4 | 108.6 | Q37 | Q37-R86 HydrophobicContact CB-CB 3.86Å; Q37-R86 PolarHBondContact N-O 3.36Å; Q37-R86 PolarHBondContact O-N 3.28Å |
| 87 | V | 39.3 | Very low | 35.3 | Very low | 45 Ų | 45 | 122.1 Ų | 122.1 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 126 | 179.5 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | I34 I36 I89 | I34-V87 HydrophobicContact CG2-CG1 3.84Å; I36-V87 HydrophobicContact CD1-CG2 4.23Å; I36-V87 HydrophobicContact CG1-CG1 4.47Å; I36-V87 HydrophobicContact CG1-CG2 4.34Å; V87-I89 HydrophobicContact CG1-CD1 3.97Å; V87-I89 HydrophobicContact CG1-CG1 3.72Å |
| 88 | V | 41.5 | Very low | 36.1 | Very low | 65 Ų | 65 | 121.9 Ų | 121.9 | 39% | 0.394 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128 | 171.8 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | I35 | I35-V88 HydrophobicContact CB-CB 4.23Å; I35-V88 PolarHBondContact N-O 3.27Å; I35-V88 PolarHBondContact O-N 2.94Å |
| 89 | I | 44.8 | Very low | 36.8 | Very low | 36 Ų | 36 | 116.5 Ų | 116.5 | 19% | 0.185 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.3 | -164.3 | -59.9 | -168 | 0 | 0 | 0 | 109.1 | V87 L93 L110 L117 | V87-I89 HydrophobicContact CG1-CD1 3.97Å; V87-I89 HydrophobicContact CG1-CG1 3.72Å; I89-L93 HydrophobicContact CG2-CD1 3.66Å; I89-L110 HydrophobicContact CB-CD1 4.08Å; I89-L110 HydrophobicContact CB-CD2 4.27Å; I89-L110 HydrophobicContact CD1-CD1 3.72Å; I89-L110 HydrophobicContact CG1-CD1 3.98Å; I89-L110 HydrophobicContact CG2-CD2 4.34Å; I89-L117 HydrophobicContact CD1-CD1 4.23Å; I89-L117 HydrophobicContact CD1-CD2 3.67Å; I89-L117 HydrophobicContact CD1-CG 4.27Å; I89-L117 HydrophobicContact CG2-CD1 3.98Å; I89-L117 HydrophobicContact CG2-CD2 4.2Å |
| 90 | G | 44.2 | Very low | 37.4 | Very low | 2 Ų | 2 | 111.2 Ų | 111.2 | 2% | 0.021 | 52% | 0.519 | C | S | . | . | trans | -71.3 | 147.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F33 Q92 | F33-G90 VanDerWaalsContact CE2-CA 3.49Å; F33-G90 PolarHBondContact O-N 2.92Å; G90-Q92 PolarHBondContact O-N 3.34Å | ||
| 91 | P | 45 | Very low | 37.7 | Very low | 85 Ų | 85 | 107.8 Ų | 107.8 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 1.7 | -161.6 | 28.1 | -36.6 | 0 | 0 | 0 | 116.6 | ||
| 92 | Q | 46.3 | Very low | 38.2 | Very low | 98 Ų | 98 | 108.8 Ų | 108.8 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | 33.2 | -173.9 | -61.7 | -164.8 | -2.9 | 0 | 0 | 114.2 | N31 S32 G90 C94 | N31-Q92 HydrophobicContact CB-CG 4.46Å; S32-Q92 WeakPolarHBondContact CB-O 3.44Å; G90-Q92 PolarHBondContact O-N 3.34Å; Q92-C94 PolarHBondContact O-N 2.84Å |
| 93 | L | 42.9 | Very low | 38.8 | Very low | 19 Ų | 19 | 103.3 Ų | 103.3 | 10% | 0.099 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -76.1 | 3.9 | -178.6 | -113.8 | 141.3 | 0 | 0 | 0 | 115.6 | P28 I34 I89 L117 V120 | P28-L93 HydrophobicContact CG-CD2 3.5Å; P28-L93 HydrophobicContact CG-CG 4.12Å; I34-L93 HydrophobicContact CD1-CD1 4.13Å; I34-L93 HydrophobicContact CD1-CD2 4.17Å; I34-L93 HydrophobicContact CG1-CD1 3.54Å; I34-L93 HydrophobicContact CG1-CD2 4.39Å; I89-L93 HydrophobicContact CG2-CD1 3.66Å; L93-L117 HydrophobicContact CB-CD1 3.78Å; L93-L117 HydrophobicContact CD1-CD1 3.96Å; L93-L117 HydrophobicContact CD2-CD1 3.85Å; L93-L117 HydrophobicContact CG-CD1 4.05Å; L93-V120 HydrophobicContact CD2-CG1 4.38Å |
| 94 | C | 43.7 | Very low | 38.9 | Very low | 41 Ų | 41 | 101.6 Ų | 101.6 | 28% | 0.277 | 49% | 0.491 | S | S | . | . | trans | -162 | 139.7 | 172.2 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | Q92 C96 C114 H116 | Q92-C94 PolarHBondContact O-N 2.84Å; C94-C96 VanDerWaalsContact C-N 3.26Å; C94-C96 HydrophobicContact CB-CB 4.42Å; C94-C96 WeakPolarHBondContact CB-SG 3.47Å; C94-C96 WeakPolarHBondContact SG-CB 3.5Å; C94-C96 PolarHBondContact SG-N 2.8Å; C94-C96 CovalentContact SG-SG 2.04Å; C94-C96 PolarHBondContact SG-SG 3.47Å; C94-C114 WeakPolarHBondContact CB-SG 3.46Å; C94-H116 HydrophobicContact CB-CB 4.48Å; C94-H116 PolarHBondContact SG-ND1 3.49Å | ||
| 95 | N | 40.5 | Very low | 39 | Very low | 124 Ų | 124 | 96.5 Ų | 96.5 | 66% | 0.663 | 50% | 0.498 | S | S | * | . | trans | -81.6 | -1.3 | 167.4 | -88.7 | -13.3 | 0 | 0 | 0 | 113.6 | Q97 | N95-Q97 PolarHBondContact O-N 3.27Š| ||
| 96 | C | 43.7 | Very low | 38.7 | Very low | 48 Ų | 48 | 96.1 Ų | 96.1 | 32% | 0.324 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -65.6 | 130.7 | 177.6 | 51.6 | 0 | 0 | 0 | 0 | 112 | C94 N98 C114 H116 | C94-C96 VanDerWaalsContact C-N 3.26Å; C94-C96 HydrophobicContact CB-CB 4.42Å; C94-C96 WeakPolarHBondContact CB-SG 3.47Å; C94-C96 WeakPolarHBondContact SG-CB 3.5Å; C94-C96 PolarHBondContact SG-N 2.8Å; C94-C96 CovalentContact SG-SG 2.04Å; C94-C96 PolarHBondContact SG-SG 3.47Å; C96-N98 PolarHBondContact O-N 3Å; C96-C114 WeakPolarHBondContact SG-CB 3.2Å; C96-H116 PolarHBondContact SG-ND1 2.64Å |
| 97 | Q | 37.5 | Very low | 38.3 | Very low | 185 Ų | 185 | 96.9 Ų | 96.9 | 86% | 0.864 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -57.6 | 119.7 | -165.1 | -64.7 | 169.9 | -13.6 | 0 | 0 | 114.3 | N95 | N95-Q97 PolarHBondContact O-N 3.27Š|
| 98 | N | 38.8 | Very low | 37.8 | Very low | 101 Ų | 101 | 99.5 Ų | 99.5 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | trans | -162.1 | 103.8 | 153.8 | -123.1 | -5.8 | 0 | 0 | 0 | 108.9 | C96 I100 | C96-N98 PolarHBondContact O-N 3Å; N98-I100 PolarHBondContact O-N 3.26Å | ||
| 99 | E | 38.7 | Very low | 37.4 | Very low | 137 Ų | 137 | 105.2 Ų | 105.2 | 64% | 0.64 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -63.1 | -27.7 | -167.3 | -64.9 | 177 | 122.9 | 0 | 0 | 114.1 | M101 R102 | E99-M101 PolarHBondContact O-N 2.77Å; E99-R102 PolarHBondContact O-N 2.98Å; E99-R102 VanDerWaalsContact O-N 3.08Å |
| 100 | I | 36.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 107.2 Ų | 107.2 | 68% | 0.677 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -57.1 | -27.9 | -171.4 | -60.2 | 174 | 0 | 0 | 0 | 113.3 | N98 R102 | N98-I100 PolarHBondContact O-N 3.26Å; I100-R102 VanDerWaalsContact C-N 3.28Å; I100-R102 PolarHBondContact O-N 3.34Å |
| 101 | M | 31.9 | Very low | 36.4 | Very low | 116 Ų | 116 | 112.1 Ų | 112.1 | 57% | 0.571 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -77.1 | -5.1 | -179.3 | -66.8 | -149.6 | -66 | 0 | 0 | 114.8 | E99 | E99-M101 PolarHBondContact O-N 2.77Š|
| 102 | R | 34.7 | Very low | 36.6 | Very low | 222 Ų | 222 | 113 Ų | 113 | 84% | 0.838 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -88.6 | -17.8 | -178.1 | -73.7 | -175.2 | 171.9 | -178.4 | -2.1 | 115.5 | E99 I100 | E99-R102 PolarHBondContact O-N 2.98Å; E99-R102 VanDerWaalsContact O-N 3.08Å; I100-R102 VanDerWaalsContact C-N 3.28Å; I100-R102 PolarHBondContact O-N 3.34Å |
| 103 | E | 36.4 | Very low | 36.6 | Very low | 134 Ų | 134 | 108.9 Ų | 108.9 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -97.9 | -28 | -168.3 | -67.6 | -169.4 | 142.8 | 0 | 0 | 115.9 | ||
| 104 | T | 32 | Very low | 37 | Very low | 78 Ų | 78 | 109.9 Ų | 109.9 | 48% | 0.479 | 57% | 0.571 | S | S | . | * | trans | -96 | -16.3 | -153.6 | 51.6 | 0 | 0 | 0 | 0 | 117.5 | M106 I108 | T104-M106 PolarHBondContact O-N 2.76Å; T104-I108 HydrophobicContact CG2-CD1 4.46Å | ||
| 105 | G | 29.4 | Very low | 37.6 | Very low | 84 Ų | 84 | 109.9 Ų | 109.9 | 87% | 0.866 | 57% | 0.57 | S | S | * | * | trans | 61.3 | -9.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 106 | M | 27.6 | Very low | 38.3 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -102.1 | 163.5 | -174.4 | -68.3 | -167.3 | 79 | 0 | 0 | 113.4 | T104 I108 F2048 | T104-M106 PolarHBondContact O-N 2.76Å; M106-I108 HydrophobicContact CB-CG1 4.12Å; M106-I108 PolarHBondContact O-N 3.3Å; M106-F2048 HydrophobicContact CE-CE1 4Å; M106-F2048 HydrophobicContact CE-CZ 3.87Å; M106-F2048 HydrophobicContact CG-CD1 4.49Å; M106-F2048 HydrophobicContact CG-CE1 3.92Å; M106-F2048 HydrophobicContact SD-CD1 4.45Å; M106-F2048 HydrophobicContact SD-CE1 3.42Å; M106-F2048 WeakPolarHBondContact SD-CE1 3.33Å; M106-F2048 HydrophobicContact SD-CZ 3.67Å |
| 107 | I | 29.2 | Very low | 39.2 | Very low | 177 Ų | 177 | 106.9 Ų | 106.9 | 91% | 0.908 | 55% | 0.547 | S | S | * | . | trans | -73.2 | 77.8 | 171.6 | -51.5 | 174.5 | 0 | 0 | 0 | 109.3 | ||||
| 108 | I | 28.1 | Very low | 40.6 | Very low | 100 Ų | 100 | 98.2 Ų | 98.2 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 140.5 | 173.9 | -54.7 | 178.1 | 0 | 0 | 0 | 108 | T104 M106 L110 | T104-I108 HydrophobicContact CG2-CD1 4.46Å; M106-I108 HydrophobicContact CB-CG1 4.12Å; M106-I108 PolarHBondContact O-N 3.3Å; I108-L110 PolarHBondContact O-N 2.72Å |
| 109 | K | 32.8 | Very low | 41.8 | Very low | 185 Ų | 185 | 98.5 Ų | 98.5 | 80% | 0.804 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 137.2 | 169.8 | -66 | 175.4 | 179.7 | 175 | 0 | 108.3 | T111 | K109-T111 PolarHBondContact O-N 2.81Š|
| 110 | L | 30.8 | Very low | 42.7 | Very low | 79 Ų | 79 | 92.6 Ų | 92.6 | 41% | 0.414 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 116 | 171.2 | -67.5 | 147.1 | 0 | 0 | 0 | 108.8 | I89 I108 P138 | I89-L110 HydrophobicContact CB-CD1 4.08Å; I89-L110 HydrophobicContact CB-CD2 4.27Å; I89-L110 HydrophobicContact CD1-CD1 3.72Å; I89-L110 HydrophobicContact CG1-CD1 3.98Å; I89-L110 HydrophobicContact CG2-CD2 4.34Å; I108-L110 PolarHBondContact O-N 2.72Å; L110-P138 WeakPolarHBondContact O-CG 3.45Å |
| 111 | T | 39 | Very low | 44 | Very low | 105 Ų | 105 | 87.2 Ų | 87.2 | 64% | 0.644 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -106.6 | -20.2 | -178.4 | 44.2 | 0 | 0 | 0 | 0 | 114.5 | K109 P138 | K109-T111 PolarHBondContact O-N 2.81Å; T111-P138 VanDerWaalsContact O-CB 3.32Å; T111-P138 WeakPolarHBondContact O-CB 3.19Å; T111-P138 WeakPolarHBondContact O-CG 3.45Å |
| 112 | E | 47.7 | Very low | 45.7 | Very low | 104 Ų | 104 | 81.9 Ų | 81.9 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -151.1 | 103.4 | 160.5 | -71.1 | -156.3 | 161.7 | 0 | 0 | 109.8 | P138 | E112-P138 WeakPolarHBondContact CA-O 2.94Š|
| 113 | P | 46.9 | Very low | 46.7 | Very low | 11 Ų | 11 | 75.2 Ų | 75.2 | 7% | 0.071 | 40% | 0.401 | C | S | . | . | trans | -82.5 | 154.9 | 169 | 33.2 | -32.9 | 0 | 0 | 0 | 111.6 | L117 I137 L139 | P113-L117 HydrophobicContact CB-CB 4.26Å; P113-L117 HydrophobicContact CB-CD2 3.35Å; P113-L117 HydrophobicContact CB-CG 4.4Å; P113-I137 HydrophobicContact CG-CB 4.44Å; P113-I137 HydrophobicContact CG-CG2 3.35Å; P113-L139 WeakPolarHBondContact O-CD2 3.47Å; P113-L139 WeakPolarHBondContact O-CG 3.24Å | ||
| 114 | C | 50.2 | Low | 47.4 | Very low | 40 Ų | 40 | 71.7 Ų | 71.7 | 27% | 0.27 | 39% | 0.388 | S | S | . | . | trans | -82.2 | 165.3 | -179 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | C94 C96 H116 L117 L118 | C94-C114 WeakPolarHBondContact CB-SG 3.46Å; C96-C114 WeakPolarHBondContact SG-CB 3.2Å; C114-H116 PolarHBondContact O-N 3.28Å; C114-L117 WeakPolarHBondContact O-CB 3.25Å; C114-L117 PolarHBondContact O-N 3.01Å; C114-L117 PolarHBondContact SG-N 2.82Å; C114-L118 PolarHBondContact O-N 3.12Å | ||
| 115 | V | 57.2 | Low | 48.2 | Very low | 41 Ų | 41 | 69.4 Ų | 69.4 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.9 | -38.1 | 175.2 | 174 | 0 | 0 | 0 | 0 | 111.9 | L117 L118 F119 W147 | V115-L117 VanDerWaalsContact C-N 3.27Å; V115-L117 PolarHBondContact O-N 2.81Å; V115-L118 WeakPolarHBondContact O-CB 3.25Å; V115-L118 PolarHBondContact O-N 3.18Å; V115-F119 PolarHBondContact O-N 3.37Å; V115-W147 HydrophobicContact CG1-CD2 3.73Å; V115-W147 HydrophobicContact CG1-CE3 3.99Å; V115-W147 HydrophobicContact CG1-CG 4.27Å; V115-W147 HydrophobicContact CG1-CH2 3.99Å; V115-W147 HydrophobicContact CG1-CZ2 3.75Å; V115-W147 HydrophobicContact CG1-CZ3 4.09Å; V115-W147 HydrophobicContact CG2-CZ2 4.32Å |
| 116 | H | 55.7 | Low | 49.5 | Very low | 100 Ų | 100 | 71.5 Ų | 71.5 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66 | -29.1 | 177.7 | -54 | 104.7 | 0 | 0 | 0 | 112.7 | C94 C96 C114 V120 | C94-H116 HydrophobicContact CB-CB 4.48Å; C94-H116 PolarHBondContact SG-ND1 3.49Å; C96-H116 PolarHBondContact SG-ND1 2.64Å; C114-H116 PolarHBondContact O-N 3.28Å; H116-V120 WeakPolarHBondContact O-CB 3.21Å; H116-V120 VanDerWaalsContact O-CG2 3.3Å; H116-V120 WeakPolarHBondContact O-CG2 3.22Å; H116-V120 PolarHBondContact O-N 3.46Å |
| 117 | L | 62.4 | Low | 51 | Low | 9 Ų | 9 | 67.7 Ų | 67.7 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.8 | -39.6 | 172.5 | -163.1 | 75.1 | 0 | 0 | 0 | 111.4 | I89 L93 P113 C114 V115 F119 V120 M121 | I89-L117 HydrophobicContact CD1-CD1 4.23Å; I89-L117 HydrophobicContact CD1-CD2 3.67Å; I89-L117 HydrophobicContact CD1-CG 4.27Å; I89-L117 HydrophobicContact CG2-CD1 3.98Å; I89-L117 HydrophobicContact CG2-CD2 4.2Å; L93-L117 HydrophobicContact CB-CD1 3.78Å; L93-L117 HydrophobicContact CD1-CD1 3.96Å; L93-L117 HydrophobicContact CD2-CD1 3.85Å; L93-L117 HydrophobicContact CG-CD1 4.05Å; P113-L117 HydrophobicContact CB-CB 4.26Å; P113-L117 HydrophobicContact CB-CD2 3.35Å; P113-L117 HydrophobicContact CB-CG 4.4Å; C114-L117 WeakPolarHBondContact O-CB 3.25Å; C114-L117 PolarHBondContact O-N 3.01Å; C114-L117 PolarHBondContact SG-N 2.82Å; V115-L117 VanDerWaalsContact C-N 3.27Å; V115-L117 PolarHBondContact O-N 2.81Å; L117-F119 VanDerWaalsContact C-N 3.32Å; L117-V120 PolarHBondContact O-N 3.45Å; L117-M121 VanDerWaalsContact O-CG 3.29Å; L117-M121 WeakPolarHBondContact O-CG 3.45Å; L117-M121 PolarHBondContact O-N 3.34Å |
| 118 | L | 67.4 | Low | 52.5 | Low | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 172.3 | -175.6 | 67 | 0 | 0 | 0 | 111.5 | C114 V115 M121 L122 L134 I137 L139 W147 I148 | C114-L118 PolarHBondContact O-N 3.12Å; V115-L118 WeakPolarHBondContact O-CB 3.25Å; V115-L118 PolarHBondContact O-N 3.18Å; L118-M121 PolarHBondContact O-N 3.02Å; L118-L122 HydrophobicContact CD1-CD1 4.3Å; L118-L122 HydrophobicContact CG-CD1 4.01Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CG 3.16Å; L118-L122 PolarHBondContact O-N 3.45Å; L118-L134 HydrophobicContact CD1-CD2 4.18Å; L118-I137 HydrophobicContact CD1-CD1 3.59Å; L118-L139 HydrophobicContact CB-CD1 4.26Å; L118-L139 HydrophobicContact CD2-CD1 3.85Å; L118-W147 HydrophobicContact CD2-CB 3.54Å; L118-W147 HydrophobicContact CD2-CG 4.42Å; L118-I148 HydrophobicContact CD1-CG1 4.44Å |
| 119 | F | 62.9 | Low | 54.1 | Low | 106 Ų | 106 | 58.6 Ų | 58.6 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 171.9 | 178.8 | -90 | 0 | 0 | 0 | 111.7 | V115 L117 M121 L122 H123 | V115-F119 PolarHBondContact O-N 3.37Å; L117-F119 VanDerWaalsContact C-N 3.32Å; F119-M121 VanDerWaalsContact C-N 3.26Å; F119-M121 PolarHBondContact O-N 3.37Å; F119-L122 PolarHBondContact O-N 2.82Å; F119-H123 AromaticContact CD2-CD2 3.43Å; F119-H123 VanDerWaalsContact CD2-CD2 3.43Å; F119-H123 WeakPolarHBondContact CD2-CD2 3.34Å; F119-H123 AromaticContact CD2-NE2 3.9Å; F119-H123 HydrophobicContact CE1-CB 4.21Å; F119-H123 HydrophobicContact CE2-CB 4.36Å; F119-H123 AromaticContact CE2-CD2 3.26Å; F119-H123 WeakPolarHBondContact CE2-CD2 2.83Å; F119-H123 AromaticContact CE2-CE1 4Å; F119-H123 AromaticContact CE2-CG 3.73Å; F119-H123 AromaticContact CE2-NE2 3.48Å; F119-H123 WeakPolarHBondContact CE2-NE2 3.4Å; F119-H123 HydrophobicContact CZ-CB 4.12Å; F119-H123 AromaticContact CZ-CD2 3.89Å; F119-H123 AromaticContact CZ-CG 3.87Å; F119-H123 WeakPolarHBondContact O-CB 3.21Å; F119-H123 PolarHBondContact O-N 3.45Å |
| 120 | V | 58.8 | Low | 55.6 | Low | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -60.7 | -36.1 | 174.1 | 166.9 | 0 | 0 | 0 | 0 | 111.4 | Y26 I34 L93 H116 L117 V124 L125 | Y26-V120 HydrophobicContact CD1-CG1 4.3Å; I34-V120 HydrophobicContact CD1-CG1 3.57Å; L93-V120 HydrophobicContact CD2-CG1 4.38Å; H116-V120 WeakPolarHBondContact O-CB 3.21Å; H116-V120 VanDerWaalsContact O-CG2 3.3Å; H116-V120 WeakPolarHBondContact O-CG2 3.22Å; H116-V120 PolarHBondContact O-N 3.46Å; L117-V120 PolarHBondContact O-N 3.45Å; V120-V124 HydrophobicContact CG1-CB 4.21Å; V120-V124 HydrophobicContact CG2-CG2 4.34Å; V120-V124 CarbonylContact O-C 3.49Å; V120-V124 WeakPolarHBondContact O-CA 3.49Å; V120-V124 WeakPolarHBondContact O-CB 3.42Å; V120-V124 PolarHBondContact O-N 3.26Å; V120-V124 VanDerWaalsContact O-N 3.12Å; V120-L125 HydrophobicContact CG1-CG 4.46Å; V120-L125 PolarHBondContact O-N 3.26Å |
| 121 | M | 63.8 | Low | 57.3 | Low | 19 Ų | 19 | 54.6 Ų | 54.6 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -68.6 | -42.5 | 175.4 | -71.8 | 178.5 | 77.1 | 0 | 0 | 112.9 | L117 L118 F119 L125 I127 L134 I137 | L117-M121 VanDerWaalsContact O-CG 3.29Å; L117-M121 WeakPolarHBondContact O-CG 3.45Å; L117-M121 PolarHBondContact O-N 3.34Å; L118-M121 PolarHBondContact O-N 3.02Å; F119-M121 VanDerWaalsContact C-N 3.26Å; F119-M121 PolarHBondContact O-N 3.37Å; M121-L125 HydrophobicContact CG-CD1 4.13Å; M121-I127 HydrophobicContact CB-CD1 4.04Å; M121-I127 HydrophobicContact CE-CD1 3.65Å; M121-I127 HydrophobicContact CG-CD1 4.13Å; M121-I127 WeakPolarHBondContact O-CB 3.28Å; M121-I127 PolarHBondContact O-N 3.31Å; M121-L134 HydrophobicContact CB-CD2 3.97Å; M121-L134 HydrophobicContact CE-CD2 3.9Å; M121-I137 HydrophobicContact CE-CD1 3.84Å; M121-I137 HydrophobicContact CE-CG1 4.44Å; M121-I137 HydrophobicContact SD-CD1 3.6Å; M121-I137 VanDerWaalsContact SD-CD1 3.6Å; M121-I137 HydrophobicContact SD-CG1 4.38Å |
| 122 | L | 66.3 | Low | 58 | Low | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -78.9 | -45.7 | -178.5 | -73.9 | 167.4 | 0 | 0 | 0 | 114.3 | L118 F119 L134 I148 Y151 | L118-L122 HydrophobicContact CD1-CD1 4.3Å; L118-L122 HydrophobicContact CG-CD1 4.01Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CG 3.16Å; L118-L122 PolarHBondContact O-N 3.45Å; F119-L122 PolarHBondContact O-N 2.82Å; L122-L134 HydrophobicContact CD2-CD1 3.58Å; L122-L134 HydrophobicContact CG-CD1 4.38Å; L122-I148 HydrophobicContact CD1-CG1 4.31Å; L122-Y151 HydrophobicContact CB-CD1 4.47Å; L122-Y151 HydrophobicContact CB-CD2 4.01Å; L122-Y151 HydrophobicContact CB-CE1 4.44Å; L122-Y151 HydrophobicContact CB-CE2 3.96Å; L122-Y151 HydrophobicContact CB-CG 4.27Å; L122-Y151 HydrophobicContact CD1-CD1 4.32Å; L122-Y151 HydrophobicContact CD1-CD2 4.39Å; L122-Y151 HydrophobicContact CD1-CG 3.98Å; L122-Y151 HydrophobicContact CD2-CD1 3.88Å; L122-Y151 HydrophobicContact CD2-CE1 4Å; L122-Y151 HydrophobicContact CD2-CG 4.33Å; L122-Y151 HydrophobicContact CG-CD1 4.47Å; L122-Y151 HydrophobicContact CG-CG 4.44Å; L122-Y151 PolarHBondContact O-OH 2.92Å |
| 123 | H | 55.6 | Low | 58.4 | Low | 81 Ų | 81 | 55 Ų | 55 | 38% | 0.375 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -89.4 | -51.1 | -177.8 | -79.6 | -100.1 | 0 | 0 | 0 | 112.8 | F119 Y151 | F119-H123 AromaticContact CD2-CD2 3.43Å; F119-H123 VanDerWaalsContact CD2-CD2 3.43Å; F119-H123 WeakPolarHBondContact CD2-CD2 3.34Å; F119-H123 AromaticContact CD2-NE2 3.9Å; F119-H123 HydrophobicContact CE1-CB 4.21Å; F119-H123 HydrophobicContact CE2-CB 4.36Å; F119-H123 AromaticContact CE2-CD2 3.26Å; F119-H123 WeakPolarHBondContact CE2-CD2 2.83Å; F119-H123 AromaticContact CE2-CE1 4Å; F119-H123 AromaticContact CE2-CG 3.73Å; F119-H123 AromaticContact CE2-NE2 3.48Å; F119-H123 WeakPolarHBondContact CE2-NE2 3.4Å; F119-H123 HydrophobicContact CZ-CB 4.12Å; F119-H123 AromaticContact CZ-CD2 3.89Å; F119-H123 AromaticContact CZ-CG 3.87Å; F119-H123 WeakPolarHBondContact O-CB 3.21Å; F119-H123 PolarHBondContact O-N 3.45Å; H123-Y151 AromaticContact CD2-CD2 3.65Å; H123-Y151 AromaticContact CD2-CE2 3.55Å; H123-Y151 AromaticContact CE1-CE2 3.9Å; H123-Y151 AromaticContact NE2-CD2 3.34Å; H123-Y151 VanDerWaalsContact NE2-CD2 3.34Å; H123-Y151 WeakPolarHBondContact NE2-CD2 3.39Å; H123-Y151 AromaticContact NE2-CE2 3.46Å; H123-Y151 WeakPolarHBondContact NE2-CE2 3.46Å |
| 124 | V | 50.7 | Low | 58.8 | Low | 60 Ų | 60 | 54.5 Ų | 54.5 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -84.9 | -46.3 | -168.4 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | Y26 V120 K126 | Y26-V124 HydrophobicContact CD1-CG1 4.05Å; Y26-V124 HydrophobicContact CD2-CG1 3.96Å; Y26-V124 HydrophobicContact CE1-CG1 4.1Å; Y26-V124 HydrophobicContact CE1-CG2 4.43Å; Y26-V124 HydrophobicContact CE2-CG1 4.02Å; Y26-V124 HydrophobicContact CG-CG1 4.01Å; V120-V124 HydrophobicContact CG1-CB 4.21Å; V120-V124 HydrophobicContact CG2-CG2 4.34Å; V120-V124 CarbonylContact O-C 3.49Å; V120-V124 WeakPolarHBondContact O-CA 3.49Å; V120-V124 WeakPolarHBondContact O-CB 3.42Å; V120-V124 PolarHBondContact O-N 3.26Å; V120-V124 VanDerWaalsContact O-N 3.12Å; V124-K126 VanDerWaalsContact C-N 3.26Å; V124-K126 PolarHBondContact O-N 3.44Å |
| 125 | L | 49.7 | Very low | 59.1 | Low | 30 Ų | 30 | 56.8 Ų | 56.8 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -81.2 | -4.7 | 176.4 | -59 | -176.9 | 0 | 0 | 0 | 113.2 | L25 I34 I36 V120 M121 I127 | L25-L125 HydrophobicContact CB-CD2 4.02Å; L25-L125 HydrophobicContact CD1-CD2 3.9Å; I34-L125 HydrophobicContact CD1-CD1 4.16Å; I34-L125 HydrophobicContact CD1-CD2 4.19Å; I34-L125 HydrophobicContact CD1-CG 4.4Å; I34-L125 HydrophobicContact CG2-CD1 4.17Å; I34-L125 HydrophobicContact CG2-CD2 4.43Å; I36-L125 HydrophobicContact CD1-CD1 4.45Å; V120-L125 HydrophobicContact CG1-CG 4.46Å; V120-L125 PolarHBondContact O-N 3.26Å; M121-L125 HydrophobicContact CG-CD1 4.13Å; L125-I127 HydrophobicContact CB-CD1 4.14Å; L125-I127 HydrophobicContact CB-CG1 3.9Å; L125-I127 HydrophobicContact CD1-CD1 4.01Å; L125-I127 PolarHBondContact O-N 2.97Å; L125-I127 VanDerWaalsContact O-N 3.09Å |
| 126 | K | 56.2 | Low | 58.8 | Low | 128 Ų | 128 | 58.2 Ų | 58.2 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | trans | 43.8 | 37.5 | -172.9 | -60.4 | -168.6 | -176.7 | -173 | 0 | 113.2 | V124 E192 | V124-K126 VanDerWaalsContact C-N 3.26Å; V124-K126 PolarHBondContact O-N 3.44Å; K126-E192 PolarHBondContact NZ-O 3.21Å | ||
| 127 | I | 58.7 | Low | 58.5 | Low | 26 Ų | 26 | 54.1 Ų | 54.1 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | trans | -65.2 | 127.6 | 174.9 | -63.7 | 175.6 | 0 | 0 | 0 | 107.4 | M121 L125 S129 D131 L134 | M121-I127 HydrophobicContact CB-CD1 4.04Å; M121-I127 HydrophobicContact CE-CD1 3.65Å; M121-I127 HydrophobicContact CG-CD1 4.13Å; M121-I127 WeakPolarHBondContact O-CB 3.28Å; M121-I127 PolarHBondContact O-N 3.31Å; L125-I127 HydrophobicContact CB-CD1 4.14Å; L125-I127 HydrophobicContact CB-CG1 3.9Å; L125-I127 HydrophobicContact CD1-CD1 4.01Å; L125-I127 PolarHBondContact O-N 2.97Å; L125-I127 VanDerWaalsContact O-N 3.09Å; I127-S129 PolarHBondContact O-N 2.85Å; I127-D131 HydrophobicContact CG2-CB 3.65Å; I127-L134 HydrophobicContact CB-CD2 4.46Å; I127-L134 HydrophobicContact CG2-CD1 4.03Å; I127-L134 HydrophobicContact CG2-CD2 3.98Å; I127-L134 HydrophobicContact CG2-CG 3.84Å | ||
| 128 | P | 61.8 | Low | 57.6 | Low | 65 Ų | 65 | 56.3 Ų | 56.3 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | trans | -54.6 | 137.1 | -179.4 | -23.5 | 32.5 | 0 | 0 | 0 | 110.7 | D130 D131 L134 | P128-D130 WeakPolarHBondContact CB-OD1 3.34Å; P128-D130 PolarHBondContact O-N 2.84Å; P128-D130 VanDerWaalsContact O-N 3.11Å; P128-D131 HydrophobicContact CB-CB 4.49Å; P128-D131 VanDerWaalsContact O-CB 3.26Å; P128-D131 WeakPolarHBondContact O-CB 3.46Å; P128-D131 PolarHBondContact O-N 2.85Å; P128-L134 WeakPolarHBondContact O-CD1 3.21Å | ||
| 129 | S | 61.1 | Low | 56.5 | Low | 20 Ų | 20 | 56.8 Ų | 56.8 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.9 | -178.7 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | I127 Q152 | I127-S129 PolarHBondContact O-N 2.85Å; S129-Q152 WeakPolarHBondContact OG-CG 3.46Å; S129-Q152 PolarHBondContact OG-NE2 3.43Å; S129-Q152 VanDerWaalsContact OG-NE2 3.12Å |
| 130 | D | 64.9 | Low | 55.5 | Low | 132 Ų | 132 | 54.3 Ų | 54.3 | 71% | 0.706 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2 | 171.9 | 56.5 | -60.8 | 0 | 0 | 0 | 114.4 | P128 P132 | P128-D130 WeakPolarHBondContact CB-OD1 3.34Å; P128-D130 PolarHBondContact O-N 2.84Å; P128-D130 VanDerWaalsContact O-N 3.11Å; D130-P132 WeakPolarHBondContact O-CD 3.47Å |
| 131 | D | 65.4 | Low | 54.7 | Low | 49 Ų | 49 | 57.2 Ų | 57.2 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | trans | -66.7 | 120.2 | 173.4 | -170.4 | -42.5 | 0 | 0 | 0 | 109.9 | I127 P128 H133 L134 | I127-D131 HydrophobicContact CG2-CB 3.65Å; P128-D131 HydrophobicContact CB-CB 4.49Å; P128-D131 VanDerWaalsContact O-CB 3.26Å; P128-D131 WeakPolarHBondContact O-CB 3.46Å; P128-D131 PolarHBondContact O-N 2.85Å; D131-H133 PolarHBondContact O-N 3.15Å; D131-H133 VanDerWaalsContact OD1-CB 3.29Å; D131-H133 WeakPolarHBondContact OD1-CB 3.18Å; D131-H133 IonicContact OD1-CD2 2.93Å; D131-H133 PolarHBondContact OD1-CD2 3.07Å; D131-H133 IonicContact OD1-CG 2.71Å; D131-H133 PolarHBondContact OD1-N 2.95Å; D131-L134 HydrophobicContact CB-CG 4.38Å; D131-L134 WeakPolarHBondContact O-CB 3.26Å; D131-L134 PolarHBondContact O-N 3.17Å | ||
| 132 | P | 55.2 | Low | 53.9 | Low | 88 Ų | 88 | 59.4 Ų | 59.4 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.6 | -20.8 | -178.1 | 25.7 | -35.5 | 0 | 0 | 0 | 113.1 | D130 L134 S135 A136 | D130-P132 WeakPolarHBondContact O-CD 3.47Å; P132-L134 VanDerWaalsContact C-N 3.3Å; P132-L134 PolarHBondContact O-N 3Å; P132-S135 PolarHBondContact O-N 2.92Å; P132-S135 VanDerWaalsContact O-N 3.17Å; P132-S135 PolarHBondContact O-OG 3.4Å; P132-A136 PolarHBondContact O-N 3.29Å; P132-A136 VanDerWaalsContact O-N 3.13Å |
| 133 | H | 55.1 | Low | 53.3 | Low | 129 Ų | 129 | 64.2 Ų | 64.2 | 60% | 0.597 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -72.6 | -19.1 | 174.5 | -62.8 | -60.1 | 0 | 0 | 0 | 113.8 | D131 A136 I137 | D131-H133 PolarHBondContact O-N 3.15Å; D131-H133 VanDerWaalsContact OD1-CB 3.29Å; D131-H133 WeakPolarHBondContact OD1-CB 3.18Å; D131-H133 IonicContact OD1-CD2 2.93Å; D131-H133 PolarHBondContact OD1-CD2 3.07Å; D131-H133 IonicContact OD1-CG 2.71Å; D131-H133 PolarHBondContact OD1-N 2.95Å; H133-A136 PolarHBondContact O-N 3.27Å; H133-I137 PolarHBondContact O-N 3.49Å |
| 134 | L | 55.4 | Low | 53.3 | Low | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.8 | -31.3 | 166.5 | -66.9 | -180 | 0 | 0 | 0 | 112.2 | L118 M121 L122 I127 P128 D131 P132 A136 I137 I148 | L118-L134 HydrophobicContact CD1-CD2 4.18Å; M121-L134 HydrophobicContact CB-CD2 3.97Å; M121-L134 HydrophobicContact CE-CD2 3.9Å; L122-L134 HydrophobicContact CD2-CD1 3.58Å; L122-L134 HydrophobicContact CG-CD1 4.38Å; I127-L134 HydrophobicContact CB-CD2 4.46Å; I127-L134 HydrophobicContact CG2-CD1 4.03Å; I127-L134 HydrophobicContact CG2-CD2 3.98Å; I127-L134 HydrophobicContact CG2-CG 3.84Å; P128-L134 WeakPolarHBondContact O-CD1 3.21Å; D131-L134 HydrophobicContact CB-CG 4.38Å; D131-L134 WeakPolarHBondContact O-CB 3.26Å; D131-L134 PolarHBondContact O-N 3.17Å; P132-L134 VanDerWaalsContact C-N 3.3Å; P132-L134 PolarHBondContact O-N 3Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-I137 HydrophobicContact CB-CD1 4.49Å; L134-I137 HydrophobicContact CD2-CD1 3.74Å; L134-I137 WeakPolarHBondContact O-CB 3.18Å; L134-I137 PolarHBondContact O-N 3.19Å; L134-I148 HydrophobicContact CB-CD1 4Å |
| 135 | S | 56.2 | Low | 53.8 | Low | 88 Ų | 88 | 63 Ų | 63 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -75 | -24.7 | 172 | 77.8 | 0 | 0 | 0 | 0 | 112.7 | P132 I137 | P132-S135 PolarHBondContact O-N 2.92Å; P132-S135 VanDerWaalsContact O-N 3.17Å; P132-S135 PolarHBondContact O-OG 3.4Å; S135-I137 VanDerWaalsContact C-N 3.27Å; S135-I137 PolarHBondContact O-N 2.88Å |
| 136 | A | 52.1 | Low | 54.5 | Low | 70 Ų | 70 | 66.7 Ų | 66.7 | 58% | 0.579 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 1.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | P132 H133 L134 P138 | P132-A136 PolarHBondContact O-N 3.29Å; P132-A136 VanDerWaalsContact O-N 3.13Å; H133-A136 PolarHBondContact O-N 3.27Å; L134-A136 VanDerWaalsContact C-N 3.32Å; A136-P138 WeakPolarHBondContact O-CD 2.78Å |
| 137 | I | 49.2 | Very low | 54.5 | Low | 15 Ų | 15 | 64.7 Ų | 64.7 | 8% | 0.077 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -67.9 | 121.3 | 167 | -79 | 167.7 | 0 | 0 | 0 | 108.1 | P113 L118 M121 H133 L134 S135 L139 | P113-I137 HydrophobicContact CG-CB 4.44Å; P113-I137 HydrophobicContact CG-CG2 3.35Å; L118-I137 HydrophobicContact CD1-CD1 3.59Å; M121-I137 HydrophobicContact CE-CD1 3.84Å; M121-I137 HydrophobicContact CE-CG1 4.44Å; M121-I137 HydrophobicContact SD-CD1 3.6Å; M121-I137 VanDerWaalsContact SD-CD1 3.6Å; M121-I137 HydrophobicContact SD-CG1 4.38Å; H133-I137 PolarHBondContact O-N 3.49Å; L134-I137 HydrophobicContact CB-CD1 4.49Å; L134-I137 HydrophobicContact CD2-CD1 3.74Å; L134-I137 WeakPolarHBondContact O-CB 3.18Å; L134-I137 PolarHBondContact O-N 3.19Å; S135-I137 VanDerWaalsContact C-N 3.27Å; S135-I137 PolarHBondContact O-N 2.88Å; I137-L139 HydrophobicContact CG2-CB 4.06Å; I137-L139 HydrophobicContact CG2-CD1 3.99Å; I137-L139 HydrophobicContact CG2-CG 4.01Å; I137-L139 PolarHBondContact O-N 3.12Å |
| 138 | P | 43 | Very low | 55 | Low | 54 Ų | 54 | 64.4 Ų | 64.4 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | trans | -82.3 | 47.4 | 179.8 | 34.4 | -34.4 | 0 | 0 | 0 | 112.1 | L110 T111 E112 A136 | L110-P138 WeakPolarHBondContact O-CG 3.45Å; T111-P138 VanDerWaalsContact O-CB 3.32Å; T111-P138 WeakPolarHBondContact O-CB 3.19Å; T111-P138 WeakPolarHBondContact O-CG 3.45Å; E112-P138 WeakPolarHBondContact CA-O 2.94Å; A136-P138 WeakPolarHBondContact O-CD 2.78Å | ||
| 139 | L | 44.8 | Very low | 55.4 | Low | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -66.2 | 150.7 | 141 | -80.9 | 162.2 | 0 | 0 | 0 | 106.7 | P113 L118 I137 S141 K143 A144 | P113-L139 WeakPolarHBondContact O-CD2 3.47Å; P113-L139 WeakPolarHBondContact O-CG 3.24Å; L118-L139 HydrophobicContact CB-CD1 4.26Å; L118-L139 HydrophobicContact CD2-CD1 3.85Å; I137-L139 HydrophobicContact CG2-CB 4.06Å; I137-L139 HydrophobicContact CG2-CD1 3.99Å; I137-L139 HydrophobicContact CG2-CG 4.01Å; I137-L139 PolarHBondContact O-N 3.12Å; L139-S141 PolarHBondContact O-N 2.96Å; L139-K143 HydrophobicContact CB-CB 4.47Å; L139-K143 HydrophobicContact CD2-CD 4.41Å; L139-A144 HydrophobicContact CB-CB 4.09Å |
| 140 | P | 40.7 | Very low | 55.5 | Low | 54 Ų | 54 | 70 Ų | 70 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | trans | -49.7 | 130.4 | 165.5 | -25.3 | 32.6 | 0 | 0 | 0 | 109.3 | S142 K143 A144 | P140-S142 VanDerWaalsContact C-N 3.3Å; P140-S142 PolarHBondContact O-N 2.91Å; P140-S142 VanDerWaalsContact O-N 3.14Å; P140-K143 HydrophobicContact CG-CD 4.29Å; P140-K143 WeakPolarHBondContact O-CA 3.26Å; P140-K143 WeakPolarHBondContact O-CB 3.25Å; P140-K143 PolarHBondContact O-N 2.83Å; P140-A144 PolarHBondContact O-N 3.32Å | ||
| 141 | S | 41.8 | Very low | 55.4 | Low | 73 Ų | 73 | 65.5 Ų | 65.5 | 51% | 0.51 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -52 | -47.9 | -165.2 | -33.6 | 0 | 0 | 0 | 0 | 112.2 | L139 K143 A144 E145 | L139-S141 PolarHBondContact O-N 2.96Å; S141-K143 PolarHBondContact O-N 3.46Å; S141-A144 CarbonylContact O-C 3.58Å; S141-A144 WeakPolarHBondContact O-CA 3.32Å; S141-A144 WeakPolarHBondContact O-CB 3.22Å; S141-A144 PolarHBondContact O-N 3.38Å; S141-E145 VanDerWaalsContact C-OE2 3.31Å; S141-E145 WeakPolarHBondContact CB-OE1 3.12Å; S141-E145 VanDerWaalsContact O-CB 3.3Å; S141-E145 WeakPolarHBondContact O-CB 3.32Å; S141-E145 VanDerWaalsContact O-CD 3.31Å; S141-E145 VanDerWaalsContact O-CG 3.27Å; S141-E145 WeakPolarHBondContact O-CG 3.4Å; S141-E145 PolarHBondContact O-N 3.07Å |
| 142 | S | 49 | Very low | 55.5 | Low | 65 Ų | 65 | 66.7 Ų | 66.7 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61 | -10.9 | 174.7 | 64.2 | 0 | 0 | 0 | 0 | 116.8 | P140 E145 F146 | P140-S142 VanDerWaalsContact C-N 3.3Å; P140-S142 PolarHBondContact O-N 2.91Å; P140-S142 VanDerWaalsContact O-N 3.14Å; S142-E145 VanDerWaalsContact CA-OE2 3.25Å; S142-E145 WeakPolarHBondContact CA-OE2 3.36Å; S142-E145 PolarHBondContact N-OE2 3.15Å; S142-F146 WeakPolarHBondContact O-CB 3.29Å |
| 143 | K | 52.4 | Low | 56.1 | Low | 107 Ų | 107 | 66.9 Ų | 66.9 | 47% | 0.465 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -90.1 | -44.2 | 164.9 | -75.9 | -173.5 | -178.8 | 173.3 | 0 | 111 | L139 P140 S141 F146 W147 | L139-K143 HydrophobicContact CB-CB 4.47Å; L139-K143 HydrophobicContact CD2-CD 4.41Å; P140-K143 HydrophobicContact CG-CD 4.29Å; P140-K143 WeakPolarHBondContact O-CA 3.26Å; P140-K143 WeakPolarHBondContact O-CB 3.25Å; P140-K143 PolarHBondContact O-N 2.83Å; S141-K143 PolarHBondContact O-N 3.46Å; K143-F146 PolarHBondContact O-N 3.07Å; K143-W147 PolarHBondContact O-N 2.07Å |
| 144 | A | 55.3 | Low | 56.2 | Low | 3 Ų | 3 | 65 Ų | 65 | 3% | 0.025 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59 | -54.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | L139 P140 S141 F146 W147 I148 | L139-A144 HydrophobicContact CB-CB 4.09Å; P140-A144 PolarHBondContact O-N 3.32Å; S141-A144 CarbonylContact O-C 3.58Å; S141-A144 WeakPolarHBondContact O-CA 3.32Å; S141-A144 WeakPolarHBondContact O-CB 3.22Å; S141-A144 PolarHBondContact O-N 3.38Å; A144-F146 PolarHBondContact O-N 3.07Å; A144-W147 PolarHBondContact O-N 3.39Å; A144-I148 HydrophobicContact CB-CD1 4.48Å; A144-I148 WeakPolarHBondContact O-CB 3.44Å; A144-I148 WeakPolarHBondContact O-CD1 3.32Å; A144-I148 WeakPolarHBondContact O-CG1 3.34Å; A144-I148 PolarHBondContact O-N 2.97Å |
| 145 | E | 62.1 | Low | 56.2 | Low | 112 Ų | 112 | 70.8 Ų | 70.8 | 52% | 0.523 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -50.4 | -53.4 | 172.9 | -68.4 | 153.7 | -169.7 | 0 | 0 | 111.1 | S141 S142 W147 I148 E149 | S141-E145 VanDerWaalsContact C-OE2 3.31Å; S141-E145 WeakPolarHBondContact CB-OE1 3.12Å; S141-E145 VanDerWaalsContact O-CB 3.3Å; S141-E145 WeakPolarHBondContact O-CB 3.32Å; S141-E145 VanDerWaalsContact O-CD 3.31Å; S141-E145 VanDerWaalsContact O-CG 3.27Å; S141-E145 WeakPolarHBondContact O-CG 3.4Å; S141-E145 PolarHBondContact O-N 3.07Å; S142-E145 VanDerWaalsContact CA-OE2 3.25Å; S142-E145 WeakPolarHBondContact CA-OE2 3.36Å; S142-E145 PolarHBondContact N-OE2 3.15Å; E145-W147 VanDerWaalsContact C-N 3.34Å; E145-W147 PolarHBondContact O-N 3.37Å; E145-I148 PolarHBondContact O-N 2.75Å; E145-E149 WeakPolarHBondContact O-CB 3.43Å; E145-E149 PolarHBondContact O-N 3.07Å |
| 146 | F | 64.3 | Low | 56.6 | Low | 107 Ų | 107 | 72.1 Ų | 72.1 | 47% | 0.469 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 179.8 | 172.8 | -98.2 | 0 | 0 | 0 | 113.8 | S142 K143 A144 K150 | S142-F146 WeakPolarHBondContact O-CB 3.29Å; K143-F146 PolarHBondContact O-N 3.07Å; A144-F146 PolarHBondContact O-N 3.07Å; F146-K150 WeakPolarHBondContact O-CB 3.16Å; F146-K150 PolarHBondContact O-N 3.29Å |
| 147 | W | 56.8 | Low | 56.6 | Low | 87 Ų | 87 | 71 Ų | 71 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -79.6 | -32.1 | 177.9 | -78.3 | 105 | 0 | 0 | 0 | 112.7 | V115 L118 K143 A144 E145 K150 Y151 | V115-W147 HydrophobicContact CG1-CD2 3.73Å; V115-W147 HydrophobicContact CG1-CE3 3.99Å; V115-W147 HydrophobicContact CG1-CG 4.27Å; V115-W147 HydrophobicContact CG1-CH2 3.99Å; V115-W147 HydrophobicContact CG1-CZ2 3.75Å; V115-W147 HydrophobicContact CG1-CZ3 4.09Å; V115-W147 HydrophobicContact CG2-CZ2 4.32Å; L118-W147 HydrophobicContact CD2-CB 3.54Å; L118-W147 HydrophobicContact CD2-CG 4.42Å; K143-W147 PolarHBondContact O-N 2.07Å; A144-W147 PolarHBondContact O-N 3.39Å; E145-W147 VanDerWaalsContact C-N 3.34Å; E145-W147 PolarHBondContact O-N 3.37Å; W147-K150 HydrophobicContact CE3-CD 3.94Å; W147-K150 HydrophobicContact CZ3-CD 3.86Å; W147-Y151 VanDerWaalsContact O-CB 3.31Å; W147-Y151 WeakPolarHBondContact O-CB 3.24Å; W147-Y151 PolarHBondContact O-N 2.06Å |
| 148 | I | 67.7 | Low | 56.3 | Low | 19 Ų | 19 | 75 Ų | 75 | 10% | 0.097 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 171 | -70.2 | 165.4 | 0 | 0 | 0 | 110.1 | L118 L122 L134 A144 E145 Y151 Q152 | L118-I148 HydrophobicContact CD1-CG1 4.44Å; L122-I148 HydrophobicContact CD1-CG1 4.31Å; L134-I148 HydrophobicContact CB-CD1 4Å; A144-I148 HydrophobicContact CB-CD1 4.48Å; A144-I148 WeakPolarHBondContact O-CB 3.44Å; A144-I148 WeakPolarHBondContact O-CD1 3.32Å; A144-I148 WeakPolarHBondContact O-CG1 3.34Å; A144-I148 PolarHBondContact O-N 2.97Å; E145-I148 PolarHBondContact O-N 2.75Å; I148-Y151 WeakPolarHBondContact O-CB 3.34Å; I148-Y151 PolarHBondContact O-N 2.99Å; I148-Q152 WeakPolarHBondContact O-CB 3.46Å; I148-Q152 VanDerWaalsContact O-CG 3.29Å; I148-Q152 WeakPolarHBondContact O-CG 3.49Å; I148-Q152 PolarHBondContact O-N 3.27Å |
| 149 | E | 70.6 | Confident | 56.6 | Low | 105 Ų | 105 | 75.6 Ų | 75.6 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 174.1 | -174.7 | -163.8 | 174.4 | 0 | 0 | 110.6 | E145 Y151 Q152 N153 | E145-E149 WeakPolarHBondContact O-CB 3.43Å; E145-E149 PolarHBondContact O-N 3.07Å; E149-Y151 VanDerWaalsContact C-N 3.33Å; E149-Y151 PolarHBondContact O-N 3.4Å; E149-Q152 PolarHBondContact O-N 3.23Å; E149-N153 VanDerWaalsContact O-CB 3.29Å; E149-N153 WeakPolarHBondContact O-CB 3.23Å; E149-N153 VanDerWaalsContact O-CG 3.31Å; E149-N153 PolarHBondContact O-N 3.43Å; E149-N153 PolarHBondContact O-ND2 3.33Å |
| 150 | K | 63.6 | Low | 56.8 | Low | 98 Ų | 98 | 81 Ų | 81 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 175.6 | -169.7 | -167.9 | 176.6 | -149.6 | 0 | 111.7 | F146 W147 H154 | F146-K150 WeakPolarHBondContact O-CB 3.16Å; F146-K150 PolarHBondContact O-N 3.29Å; W147-K150 HydrophobicContact CE3-CD 3.94Å; W147-K150 HydrophobicContact CZ3-CD 3.86Å; K150-H154 VanDerWaalsContact O-CB 3.32Å; K150-H154 WeakPolarHBondContact O-CB 3.32Å; K150-H154 PolarHBondContact O-N 3.47Å |
| 151 | Y | 61.9 | Low | 56.9 | Low | 38 Ų | 38 | 81 Ų | 81 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.9 | -45 | 173.8 | 170.9 | -92.5 | 0 | 0 | 0 | 111.9 | L122 H123 W147 I148 E149 N153 H154 R155 | L122-Y151 HydrophobicContact CB-CD1 4.47Å; L122-Y151 HydrophobicContact CB-CD2 4.01Å; L122-Y151 HydrophobicContact CB-CE1 4.44Å; L122-Y151 HydrophobicContact CB-CE2 3.96Å; L122-Y151 HydrophobicContact CB-CG 4.27Å; L122-Y151 HydrophobicContact CD1-CD1 4.32Å; L122-Y151 HydrophobicContact CD1-CD2 4.39Å; L122-Y151 HydrophobicContact CD1-CG 3.98Å; L122-Y151 HydrophobicContact CD2-CD1 3.88Å; L122-Y151 HydrophobicContact CD2-CE1 4Å; L122-Y151 HydrophobicContact CD2-CG 4.33Å; L122-Y151 HydrophobicContact CG-CD1 4.47Å; L122-Y151 HydrophobicContact CG-CG 4.44Å; L122-Y151 PolarHBondContact O-OH 2.92Å; H123-Y151 AromaticContact CD2-CD2 3.65Å; H123-Y151 AromaticContact CD2-CE2 3.55Å; H123-Y151 AromaticContact CE1-CE2 3.9Å; H123-Y151 AromaticContact NE2-CD2 3.34Å; H123-Y151 VanDerWaalsContact NE2-CD2 3.34Å; H123-Y151 WeakPolarHBondContact NE2-CD2 3.39Å; H123-Y151 AromaticContact NE2-CE2 3.46Å; H123-Y151 WeakPolarHBondContact NE2-CE2 3.46Å; W147-Y151 VanDerWaalsContact O-CB 3.31Å; W147-Y151 WeakPolarHBondContact O-CB 3.24Å; W147-Y151 PolarHBondContact O-N 2.06Å; I148-Y151 WeakPolarHBondContact O-CB 3.34Å; I148-Y151 PolarHBondContact O-N 2.99Å; E149-Y151 VanDerWaalsContact C-N 3.33Å; E149-Y151 PolarHBondContact O-N 3.4Å; Y151-N153 PolarHBondContact O-N 3.16Å; Y151-H154 PolarHBondContact O-N 3.03Å; Y151-R155 VanDerWaalsContact O-CB 3.3Å; Y151-R155 WeakPolarHBondContact O-CB 3.37Å; Y151-R155 PolarHBondContact O-N 2.98Å |
| 152 | Q | 68.4 | Low | 56.6 | Low | 73 Ų | 73 | 81.6 Ų | 81.6 | 34% | 0.341 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.8 | -77.1 | 172.1 | -12.1 | 0 | 0 | 111.5 | S129 I148 E149 R155 H156 | S129-Q152 WeakPolarHBondContact OG-CG 3.46Å; S129-Q152 PolarHBondContact OG-NE2 3.43Å; S129-Q152 VanDerWaalsContact OG-NE2 3.12Å; I148-Q152 WeakPolarHBondContact O-CB 3.46Å; I148-Q152 VanDerWaalsContact O-CG 3.29Å; I148-Q152 WeakPolarHBondContact O-CG 3.49Å; I148-Q152 PolarHBondContact O-N 3.27Å; E149-Q152 PolarHBondContact O-N 3.23Å; Q152-R155 PolarHBondContact O-N 2.88Å; Q152-H156 WeakPolarHBondContact O-CB 3.46Å; Q152-H156 PolarHBondContact O-N 2.95Å |
| 153 | N | 67.5 | Low | 56.5 | Low | 93 Ų | 93 | 82.2 Ų | 82.2 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 176.2 | -76.2 | -29.9 | 0 | 0 | 0 | 112.3 | E149 Y151 H156 S157 | E149-N153 VanDerWaalsContact O-CB 3.29Å; E149-N153 WeakPolarHBondContact O-CB 3.23Å; E149-N153 VanDerWaalsContact O-CG 3.31Å; E149-N153 PolarHBondContact O-N 3.43Å; E149-N153 PolarHBondContact O-ND2 3.33Å; Y151-N153 PolarHBondContact O-N 3.16Å; N153-H156 PolarHBondContact O-N 3.46Å; N153-S157 PolarHBondContact O-N 3.23Å |
| 154 | H | 57.6 | Low | 56 | Low | 90 Ų | 90 | 81.5 Ų | 81.5 | 42% | 0.417 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175 | -171.5 | 13.3 | 0 | 0 | 0 | 111.4 | K150 Y151 H156 S157 L158 | K150-H154 VanDerWaalsContact O-CB 3.32Å; K150-H154 WeakPolarHBondContact O-CB 3.32Å; K150-H154 PolarHBondContact O-N 3.47Å; Y151-H154 PolarHBondContact O-N 3.03Å; H154-H156 VanDerWaalsContact C-N 3.34Å; H154-H156 PolarHBondContact O-N 2.95Å; H154-S157 WeakPolarHBondContact O-CB 3.27Å; H154-S157 PolarHBondContact O-N 3.36Å; H154-L158 WeakPolarHBondContact O-CG 3.26Å; H154-L158 PolarHBondContact O-N 2.95Å |
| 155 | R | 54.7 | Low | 55.2 | Low | 121 Ų | 121 | 84.7 Ų | 84.7 | 46% | 0.457 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 171.9 | -178 | 173.2 | 173.2 | 168.5 | -4.5 | 112 | Y151 Q152 L158 V159 | Y151-R155 VanDerWaalsContact O-CB 3.3Å; Y151-R155 WeakPolarHBondContact O-CB 3.37Å; Y151-R155 PolarHBondContact O-N 2.98Å; Q152-R155 PolarHBondContact O-N 2.88Å; R155-L158 PolarHBondContact O-N 3.04Å; R155-V159 HydrophobicContact CG-CG2 4.45Å; R155-V159 WeakPolarHBondContact O-CB 3.46Å; R155-V159 VanDerWaalsContact O-CG2 3.24Å; R155-V159 WeakPolarHBondContact O-CG2 3.46Å; R155-V159 PolarHBondContact O-N 3.1Å |
| 156 | H | 64.7 | Low | 53.8 | Low | 116 Ų | 116 | 84.3 Ų | 84.3 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 173.8 | -108.6 | -80.5 | 0 | 0 | 0 | 112.2 | Q152 N153 H154 V159 Q160 | Q152-H156 WeakPolarHBondContact O-CB 3.46Å; Q152-H156 PolarHBondContact O-N 2.95Å; N153-H156 PolarHBondContact O-N 3.46Å; H154-H156 VanDerWaalsContact C-N 3.34Å; H154-H156 PolarHBondContact O-N 2.95Å; H156-V159 PolarHBondContact O-N 2.92Å; H156-Q160 VanDerWaalsContact O-CB 3.28Å; H156-Q160 WeakPolarHBondContact O-CB 3.2Å; H156-Q160 VanDerWaalsContact O-CG 3.3Å; H156-Q160 WeakPolarHBondContact O-CG 3.43Å; H156-Q160 PolarHBondContact O-N 3.01Å |
| 157 | S | 51.5 | Low | 52.5 | Low | 46 Ų | 46 | 88.5 Ų | 88.5 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 173.8 | -172.9 | 0 | 0 | 0 | 0 | 111 | N153 H154 V159 Q160 S161 | N153-S157 PolarHBondContact O-N 3.23Å; H154-S157 WeakPolarHBondContact O-CB 3.27Å; H154-S157 PolarHBondContact O-N 3.36Å; S157-V159 PolarHBondContact O-N 3.32Å; S157-Q160 PolarHBondContact O-N 3.24Å; S157-S161 WeakPolarHBondContact O-CB 3.27Å; S157-S161 PolarHBondContact O-N 3.42Å |
| 158 | L | 43.2 | Very low | 51.6 | Low | 101 Ų | 101 | 90.6 Ų | 90.6 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.1 | -71.9 | 166.4 | 0 | 0 | 0 | 112.2 | H154 R155 S161 Y162 | H154-L158 WeakPolarHBondContact O-CG 3.26Å; H154-L158 PolarHBondContact O-N 2.95Å; R155-L158 PolarHBondContact O-N 3.04Å; L158-S161 PolarHBondContact O-N 2.96Å; L158-Y162 WeakPolarHBondContact O-CB 3.47Å; L158-Y162 PolarHBondContact O-N 3.26Å |
| 159 | V | 49.1 | Very low | 50 | Low | 66 Ų | 66 | 92.5 Ų | 92.5 | 40% | 0.4 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.3 | -34.3 | 177 | 168.4 | 0 | 0 | 0 | 0 | 112.2 | R155 H156 S157 N163 | R155-V159 HydrophobicContact CG-CG2 4.45Å; R155-V159 WeakPolarHBondContact O-CB 3.46Å; R155-V159 VanDerWaalsContact O-CG2 3.24Å; R155-V159 WeakPolarHBondContact O-CG2 3.46Å; R155-V159 PolarHBondContact O-N 3.1Å; H156-V159 PolarHBondContact O-N 2.92Å; S157-V159 PolarHBondContact O-N 3.32Å; V159-N163 WeakPolarHBondContact CG1-ND2 3.3Å; V159-N163 VanDerWaalsContact O-CB 3.26Å; V159-N163 WeakPolarHBondContact O-CB 3.33Å; V159-N163 VanDerWaalsContact O-CG 3.26Å; V159-N163 PolarHBondContact O-N 2.97Å; V159-N163 PolarHBondContact O-ND2 3.07Å |
| 160 | Q | 50.9 | Low | 48.3 | Very low | 127 Ų | 127 | 92.9 Ų | 92.9 | 59% | 0.593 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.8 | -43.5 | 173.3 | -78.9 | -179.4 | -4.7 | 0 | 0 | 111.2 | H156 S157 Y162 N163 K164 | H156-Q160 VanDerWaalsContact O-CB 3.28Å; H156-Q160 WeakPolarHBondContact O-CB 3.2Å; H156-Q160 VanDerWaalsContact O-CG 3.3Å; H156-Q160 WeakPolarHBondContact O-CG 3.43Å; H156-Q160 PolarHBondContact O-N 3.01Å; S157-Q160 PolarHBondContact O-N 3.24Å; Q160-Y162 PolarHBondContact O-N 2.82Å; Q160-N163 PolarHBondContact O-N 3.1Å; Q160-K164 VanDerWaalsContact O-CB 3.25Å; Q160-K164 WeakPolarHBondContact O-CB 3.35Å; Q160-K164 PolarHBondContact O-N 3.35Å |
| 161 | S | 41.9 | Very low | 46.8 | Very low | 55 Ų | 55 | 93.7 Ų | 93.7 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 173.1 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | S157 L158 K164 N165 | S157-S161 WeakPolarHBondContact O-CB 3.27Å; S157-S161 PolarHBondContact O-N 3.42Å; L158-S161 PolarHBondContact O-N 2.96Å; S161-K164 PolarHBondContact O-N 2.83Å; S161-N165 PolarHBondContact O-N 3.32Å; S161-N165 PolarHBondContact O-ND2 2.7Å |
| 162 | Y | 35.8 | Very low | 45.3 | Very low | 85 Ų | 85 | 97.8 Ų | 97.8 | 33% | 0.333 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 174.9 | -175.4 | -92.5 | 0 | 0 | 0 | 112.1 | L158 Q160 K164 N165 R166 I189 | L158-Y162 WeakPolarHBondContact O-CB 3.47Å; L158-Y162 PolarHBondContact O-N 3.26Å; Q160-Y162 PolarHBondContact O-N 2.82Å; Y162-K164 VanDerWaalsContact C-N 3.28Å; Y162-K164 PolarHBondContact O-N 3.25Å; Y162-N165 PolarHBondContact O-N 2.93Å; Y162-R166 WeakPolarHBondContact O-CB 3.38Å; Y162-R166 PolarHBondContact O-N 2.88Å; Y162-I189 HydrophobicContact CD2-CD1 4.33Å; Y162-I189 HydrophobicContact CE1-CD1 4.29Å; Y162-I189 HydrophobicContact CE2-CD1 3.5Å; Y162-I189 VanDerWaalsContact CE2-CD1 3.5Å; Y162-I189 VanDerWaalsContact CZ-CD1 3.48Å; Y162-I189 WeakPolarHBondContact OH-CD1 3.21Å |
| 163 | N | 45.9 | Very low | 43.5 | Very low | 77 Ų | 77 | 102.9 Ų | 102.9 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -28.4 | 176.8 | -77.9 | -37 | 0 | 0 | 0 | 113.3 | V159 Q160 R167 | V159-N163 WeakPolarHBondContact CG1-ND2 3.3Å; V159-N163 VanDerWaalsContact O-CB 3.26Å; V159-N163 WeakPolarHBondContact O-CB 3.33Å; V159-N163 VanDerWaalsContact O-CG 3.26Å; V159-N163 PolarHBondContact O-N 2.97Å; V159-N163 PolarHBondContact O-ND2 3.07Å; Q160-N163 PolarHBondContact O-N 3.1Å; N163-R167 WeakPolarHBondContact O-CG 3.24Å; N163-R167 PolarHBondContact O-N 3.5Å |
| 164 | K | 43.3 | Very low | 41.8 | Very low | 93 Ų | 93 | 105.2 Ų | 105.2 | 40% | 0.404 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.7 | -46.1 | 175.6 | -160.6 | 170 | -169.6 | 174.6 | 0 | 110.8 | Q160 S161 Y162 R166 R167 N168 E878 | Q160-K164 VanDerWaalsContact O-CB 3.25Å; Q160-K164 WeakPolarHBondContact O-CB 3.35Å; Q160-K164 PolarHBondContact O-N 3.35Å; S161-K164 PolarHBondContact O-N 2.83Å; Y162-K164 VanDerWaalsContact C-N 3.28Å; Y162-K164 PolarHBondContact O-N 3.25Å; K164-R166 VanDerWaalsContact C-N 3.33Å; K164-R166 PolarHBondContact O-N 3.35Å; K164-R167 PolarHBondContact O-N 2.95Å; K164-N168 PolarHBondContact O-N 2.85Å; K164-N168 PolarHBondContact O-OD1 3.31Å; K164-E878 VanDerWaalsContact CE-CD 3.46Å; K164-E878 WeakPolarHBondContact CE-OE1 3.28Å; K164-E878 IonicContact NZ-OE1 3.74Å; K164-E878 PolarHBondContact NZ-OE1 3.07Å; K164-E878 IonicContact NZ-OE2 2.67Å; K164-E878 PolarHBondContact NZ-OE2 3.43Å |
| 165 | N | 37.1 | Very low | 40.4 | Very low | 69 Ų | 69 | 110 Ų | 110 | 37% | 0.369 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 169.4 | -76.7 | -88.1 | 0 | 0 | 0 | 111.6 | S161 Y162 R167 N168 S169 K941 | S161-N165 PolarHBondContact O-N 3.32Å; S161-N165 PolarHBondContact O-ND2 2.7Å; Y162-N165 PolarHBondContact O-N 2.93Å; N165-R167 VanDerWaalsContact C-N 3.35Å; N165-R167 PolarHBondContact O-N 2.83Å; N165-N168 PolarHBondContact O-N 3.14Å; N165-S169 PolarHBondContact O-N 2.85Å; N165-S169 VanDerWaalsContact O-N 3.15Å; N165-K941 PolarHBondContact OD1-NZ 2.85Å |
| 166 | R | 33.2 | Very low | 39.1 | Very low | 104 Ų | 104 | 107.6 Ų | 107.6 | 39% | 0.392 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.3 | -23.3 | 179.5 | -169.5 | 173 | -179.4 | 169.5 | 6.5 | 114.3 | Y162 K164 S169 E186 | Y162-R166 WeakPolarHBondContact O-CB 3.38Å; Y162-R166 PolarHBondContact O-N 2.88Å; K164-R166 VanDerWaalsContact C-N 3.33Å; K164-R166 PolarHBondContact O-N 3.35Å; R166-S169 WeakPolarHBondContact CA-OG 3.42Å; R166-S169 PolarHBondContact O-OG 2.84Å; R166-E186 IonicContact CZ-OE1 2.68Å; R166-E186 IonicContact NH1-OE1 3.81Å; R166-E186 PolarHBondContact NH1-OE1 3.36Å; R166-E186 IonicContact NH2-OE1 2.62Å; R166-E186 PolarHBondContact NH2-OE1 3.22Å |
| 167 | R | 37.7 | Very low | 37.2 | Very low | 196 Ų | 196 | 109.2 Ų | 109.2 | 74% | 0.74 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.7 | -38.2 | 170.8 | -80.8 | 176.5 | 179.4 | -178.1 | -0.7 | 111.6 | N163 K164 N165 S169 | N163-R167 WeakPolarHBondContact O-CG 3.24Å; N163-R167 PolarHBondContact O-N 3.5Å; K164-R167 PolarHBondContact O-N 2.95Å; N165-R167 VanDerWaalsContact C-N 3.35Å; N165-R167 PolarHBondContact O-N 2.83Å; R167-S169 VanDerWaalsContact C-N 3.29Å; R167-S169 PolarHBondContact O-N 2.91Å |
| 168 | N | 37.3 | Very low | 36.2 | Very low | 131 Ų | 131 | 115 Ų | 115 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.2 | -22.4 | 177.8 | -65.7 | 13.7 | 0 | 0 | 0 | 112.6 | K164 N165 | K164-N168 PolarHBondContact O-N 2.85Å; K164-N168 PolarHBondContact O-OD1 3.31Å; N165-N168 PolarHBondContact O-N 3.14Å |
| 169 | S | 33.8 | Very low | 35.4 | Very low | 58 Ų | 58 | 113.9 Ų | 113.9 | 41% | 0.406 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | 8.7 | 179.3 | 72.3 | 0 | 0 | 0 | 0 | 115.4 | N165 R166 R167 | N165-S169 PolarHBondContact O-N 2.85Å; N165-S169 VanDerWaalsContact O-N 3.15Å; R166-S169 WeakPolarHBondContact CA-OG 3.42Å; R166-S169 PolarHBondContact O-OG 2.84Å; R167-S169 VanDerWaalsContact C-N 3.29Å; R167-S169 PolarHBondContact O-N 2.91Å |
| 170 | N | 34.4 | Very low | 34.4 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -2.1 | -173.7 | -91.4 | -3.2 | 0 | 0 | 0 | 114.5 | ||
| 171 | T | 32.9 | Very low | 33.4 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 71% | 0.712 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -107.5 | -9.7 | -164.7 | -22.5 | 0 | 0 | 0 | 0 | 115 | ||
| 172 | L | 30.4 | Very low | 32.7 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | trans | -122.4 | 104.9 | 173.2 | -81.7 | 164.1 | 0 | 0 | 0 | 109.6 | N933 | L172-N933 WeakPolarHBondContact CD1-OD1 3.46Š| ||
| 173 | K | 29.9 | Very low | 32.4 | Very low | 179 Ų | 179 | 121.3 Ų | 121.3 | 78% | 0.778 | 63% | 0.625 | S | S | * | * | trans | -113.1 | 155.9 | 164.1 | -69.8 | 178.4 | 178.8 | 176.4 | 0 | 107.3 | ||||
| 174 | N | 31.6 | Very low | 31.6 | Very low | 143 Ų | 143 | 123.3 Ų | 123.3 | 77% | 0.765 | 63% | 0.63 | S | S | * | * | trans | 72.9 | 127.3 | -170.1 | -43.6 | -7.8 | 0 | 0 | 0 | 109.6 | ||||
| 175 | E | 28.4 | Very low | 30.9 | Very low | 189 Ų | 189 | 121.1 Ų | 121.1 | 88% | 0.883 | 63% | 0.627 | S | S | * | * | S | Bend | cis | -119.5 | -165.8 | 8.9 | -66.6 | -178.2 | 149.4 | 0 | 0 | 112.2 | ||
| 176 | G | 27.3 | Very low | 30.5 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 73% | 0.732 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -66.2 | 156.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 177 | N | 26.5 | Very low | 30.4 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 80% | 0.802 | 64% | 0.642 | S | S | * | * | cis | -139.7 | 28.5 | 18.3 | -113.5 | -21.5 | 0 | 0 | 0 | 114.2 | S179 | N177-S179 VanDerWaalsContact C-N 3.29Å; N177-S179 PolarHBondContact O-N 3.02Å | ||
| 178 | Q | 29.3 | Very low | 29.9 | Very low | 169 Ų | 169 | 118.2 Ų | 118.2 | 79% | 0.79 | 62% | 0.623 | S | S | * | * | trans | -73.6 | 66.1 | -174.9 | -59.4 | -172.3 | 9.9 | 0 | 0 | 114.1 | ||||
| 179 | S | 27.7 | Very low | 29.5 | Very low | 76 Ų | 76 | 116 Ų | 116 | 53% | 0.531 | 61% | 0.611 | S | S | . | * | trans | -102 | -2 | -167.4 | 73.9 | 0 | 0 | 0 | 0 | 117.2 | N177 K183 | N177-S179 VanDerWaalsContact C-N 3.29Å; N177-S179 PolarHBondContact O-N 3.02Å; S179-K183 PolarHBondContact O-NZ 3.18Å | ||
| 180 | E | 26.2 | Very low | 29.4 | Very low | 148 Ų | 148 | 118.7 Ų | 118.7 | 69% | 0.692 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -118.1 | -29.9 | 178.7 | -63.1 | -143.9 | 110.4 | 0 | 0 | 115 | L182 K183 F184 | E180-L182 PolarHBondContact O-N 3.27Å; E180-L182 VanDerWaalsContact O-N 3.16Å; E180-K183 WeakPolarHBondContact O-CA 3.42Å; E180-K183 PolarHBondContact O-N 2.78Å; E180-F184 PolarHBondContact O-N 2.78Å |
| 181 | T | 30.2 | Very low | 29.1 | Very low | 104 Ų | 104 | 116.2 Ų | 116.2 | 64% | 0.638 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.6 | -29.8 | -178.1 | -19.9 | 0 | 0 | 0 | 0 | 112.9 | S185 | T181-S185 PolarHBondContact O-OG 3.32Å |
| 182 | L | 28.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 117.1 Ų | 117.1 | 56% | 0.555 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -84.6 | -6.8 | 173.4 | -77.8 | 165.8 | 0 | 0 | 0 | 114.4 | E180 S185 | E180-L182 PolarHBondContact O-N 3.27Å; E180-L182 VanDerWaalsContact O-N 3.16Å; L182-S185 WeakPolarHBondContact CA-OG 3.19Å |
| 183 | K | 29.7 | Very low | 28.7 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -98.9 | -26.4 | 170.8 | -71.8 | 172.2 | -175.4 | 150.8 | 0 | 112.6 | S179 E180 K187 | S179-K183 PolarHBondContact O-NZ 3.18Å; E180-K183 WeakPolarHBondContact O-CA 3.42Å; E180-K183 PolarHBondContact O-N 2.78Å; K183-K187 WeakPolarHBondContact O-CB 3.19Å; K183-K187 WeakPolarHBondContact O-CG 3.46Å; K183-K187 PolarHBondContact O-N 2.67Å; K183-K187 VanDerWaalsContact O-N 3.1Å |
| 184 | F | 27.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 112.5 Ų | 112.5 | 52% | 0.522 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.9 | -38.1 | 174.6 | -149.1 | -115.2 | 0 | 0 | 0 | 111.6 | E180 E186 K187 L188 | E180-F184 PolarHBondContact O-N 2.78Å; F184-E186 PolarHBondContact O-N 3.06Å; F184-K187 PolarHBondContact O-N 2.75Å; F184-L188 HydrophobicContact CD1-CD1 3.71Å; F184-L188 HydrophobicContact CD2-CD1 4.35Å; F184-L188 HydrophobicContact CE1-CD1 3.4Å; F184-L188 HydrophobicContact CE1-CD2 4.18Å; F184-L188 HydrophobicContact CE1-CG 4.45Å; F184-L188 HydrophobicContact CE2-CD1 4.09Å; F184-L188 HydrophobicContact CG-CD1 4.18Å; F184-L188 HydrophobicContact CZ-CD1 3.61Å; F184-L188 PolarHBondContact O-N 2.93Å |
| 185 | S | 29.3 | Very low | 28.2 | Very low | 47 Ų | 47 | 112.4 Ų | 112.4 | 33% | 0.329 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.7 | -27.9 | 175.4 | 42.9 | 0 | 0 | 0 | 0 | 114.1 | T181 L182 | T181-S185 PolarHBondContact O-OG 3.32Å; L182-S185 WeakPolarHBondContact CA-OG 3.19Å |
| 186 | E | 28.5 | Very low | 28.1 | Very low | 97 Ų | 97 | 110.9 Ų | 110.9 | 45% | 0.453 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -86 | -11 | 166.8 | -67.4 | -152.8 | 128.1 | 0 | 0 | 113.9 | R166 F184 N190 | R166-E186 IonicContact CZ-OE1 2.68Å; R166-E186 IonicContact NH1-OE1 3.81Å; R166-E186 PolarHBondContact NH1-OE1 3.36Å; R166-E186 IonicContact NH2-OE1 2.62Å; R166-E186 PolarHBondContact NH2-OE1 3.22Å; F184-E186 PolarHBondContact O-N 3.06Å; E186-N190 WeakPolarHBondContact O-CB 3.21Å; E186-N190 PolarHBondContact O-ND2 2.86Å |
| 187 | K | 30.3 | Very low | 28 | Very low | 144 Ų | 144 | 117.8 Ų | 117.8 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -89.5 | -47.4 | 174.6 | -85 | -179.6 | 175.5 | 179.4 | 0 | 113.4 | K183 F184 I189 N190 S191 | K183-K187 WeakPolarHBondContact O-CB 3.19Å; K183-K187 WeakPolarHBondContact O-CG 3.46Å; K183-K187 PolarHBondContact O-N 2.67Å; K183-K187 VanDerWaalsContact O-N 3.1Å; F184-K187 PolarHBondContact O-N 2.75Å; K187-I189 PolarHBondContact O-N 2.94Å; K187-N190 CarbonylContact O-C 3.54Å; K187-N190 PolarHBondContact O-N 2.91Å; K187-N190 VanDerWaalsContact O-N 3.1Å; K187-S191 WeakPolarHBondContact O-CB 3.42Å; K187-S191 PolarHBondContact O-N 3.02Å; K187-S191 PolarHBondContact O-OG 2.9Å |
| 188 | L | 28.4 | Very low | 27.8 | Very low | 67 Ų | 67 | 114.6 Ų | 114.6 | 35% | 0.351 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.8 | -46.1 | -177.2 | -100.6 | 63.6 | 0 | 0 | 0 | 112.5 | F184 N190 S191 E192 | F184-L188 HydrophobicContact CD1-CD1 3.71Å; F184-L188 HydrophobicContact CD2-CD1 4.35Å; F184-L188 HydrophobicContact CE1-CD1 3.4Å; F184-L188 HydrophobicContact CE1-CD2 4.18Å; F184-L188 HydrophobicContact CE1-CG 4.45Å; F184-L188 HydrophobicContact CE2-CD1 4.09Å; F184-L188 HydrophobicContact CG-CD1 4.18Å; F184-L188 HydrophobicContact CZ-CD1 3.61Å; F184-L188 PolarHBondContact O-N 2.93Å; L188-N190 PolarHBondContact O-N 3.3Å; L188-S191 WeakPolarHBondContact CA-OG 3.41Å; L188-S191 PolarHBondContact O-N 3.2Å; L188-S191 VanDerWaalsContact O-N 3.07Å; L188-S191 PolarHBondContact O-OG 2.76Å; L188-E192 PolarHBondContact O-N 2.95Å |
| 189 | I | 29 | Very low | 27.6 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.9 | -17.2 | 179 | -67.5 | 170.9 | 0 | 0 | 0 | 112 | Y162 K187 | Y162-I189 HydrophobicContact CD2-CD1 4.33Å; Y162-I189 HydrophobicContact CE1-CD1 4.29Å; Y162-I189 HydrophobicContact CE2-CD1 3.5Å; Y162-I189 VanDerWaalsContact CE2-CD1 3.5Å; Y162-I189 VanDerWaalsContact CZ-CD1 3.48Å; Y162-I189 WeakPolarHBondContact OH-CD1 3.21Å; K187-I189 PolarHBondContact O-N 2.94Å |
| 190 | N | 30.2 | Very low | 27.4 | Very low | 114 Ų | 114 | 115.7 Ų | 115.7 | 61% | 0.61 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -104.6 | -0.3 | 172.6 | -71.9 | -57.1 | 0 | 0 | 0 | 114.5 | E186 K187 L188 S194 | E186-N190 WeakPolarHBondContact O-CB 3.21Å; E186-N190 PolarHBondContact O-ND2 2.86Å; K187-N190 CarbonylContact O-C 3.54Å; K187-N190 PolarHBondContact O-N 2.91Å; K187-N190 VanDerWaalsContact O-N 3.1Å; L188-N190 PolarHBondContact O-N 3.3Å; N190-S194 PolarHBondContact O-OG 2.7Å |
| 191 | S | 29.8 | Very low | 27.2 | Very low | 60 Ų | 60 | 114.6 Ų | 114.6 | 42% | 0.42 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -104.7 | -43.8 | 174.4 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | K187 L188 M193 S194 | K187-S191 WeakPolarHBondContact O-CB 3.42Å; K187-S191 PolarHBondContact O-N 3.02Å; K187-S191 PolarHBondContact O-OG 2.9Å; L188-S191 WeakPolarHBondContact CA-OG 3.41Å; L188-S191 PolarHBondContact O-N 3.2Å; L188-S191 VanDerWaalsContact O-N 3.07Å; L188-S191 PolarHBondContact O-OG 2.76Å; S191-M193 PolarHBondContact O-N 3.1Å; S191-M193 VanDerWaalsContact O-N 3.14Å; S191-S194 CarbonylContact O-C 3.55Å; S191-S194 PolarHBondContact O-N 2.93Å |
| 192 | E | 27.6 | Very low | 27 | Very low | 136 Ų | 136 | 117.7 Ų | 117.7 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -3.8 | -179.3 | -61.5 | -163.4 | 141.4 | 0 | 0 | 114.4 | K126 L188 | K126-E192 PolarHBondContact NZ-O 3.21Å; L188-E192 PolarHBondContact O-N 2.95Å |
| 193 | M | 26.1 | Very low | 26.6 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -0.3 | 168.8 | -62.9 | -152.3 | 69.5 | 0 | 0 | 113.5 | S191 | S191-M193 PolarHBondContact O-N 3.1Å; S191-M193 VanDerWaalsContact O-N 3.14Å |
| 194 | S | 26 | Very low | 26.3 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 51% | 0.51 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -154.8 | 64.6 | -178.8 | 61.5 | 0 | 0 | 0 | 0 | 115.8 | N190 S191 | N190-S194 PolarHBondContact O-OG 2.7Å; S191-S194 CarbonylContact O-C 3.55Å; S191-S194 PolarHBondContact O-N 2.93Å |
| 195 | N | 26.1 | Very low | 26.1 | Very low | 142 Ų | 142 | 123 Ų | 123 | 76% | 0.759 | 63% | 0.628 | S | S | * | * | trans | -169.6 | 68.9 | 142.8 | -98.6 | -23.5 | 0 | 0 | 0 | 115.3 | ||||
| 196 | T | 24.9 | Very low | 25.9 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 96% | 0.963 | 64% | 0.644 | S | S | * | * | trans | -117.2 | 45.8 | 155.1 | 18.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 197 | R | 25.9 | Very low | 25.7 | Very low | 215 Ų | 215 | 129 Ų | 129 | 81% | 0.811 | 65% | 0.651 | S | S | * | * | trans | -73.7 | 132.3 | 166.5 | -83 | -174.5 | 172.1 | -174.5 | 1.5 | 110.2 | I199 | R197-I199 PolarHBondContact O-N 2.96Š| ||
| 198 | L | 22.2 | Very low | 25.5 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 44% | 0.44 | 65% | 0.654 | S | S | . | * | trans | -41.3 | 103.9 | 159.7 | -83 | 165 | 0 | 0 | 0 | 113.3 | I23 K38 | I23-L198 HydrophobicContact CD1-CD1 3.63Å; I23-L198 HydrophobicContact CD1-CD2 4.3Å; I23-L198 HydrophobicContact CD1-CG 3.89Å; I23-L198 HydrophobicContact CG1-CD1 3.91Å; I23-L198 HydrophobicContact CG1-CD2 4.11Å; I23-L198 HydrophobicContact CG1-CG 4.21Å; I23-L198 HydrophobicContact CG2-CD2 4.17Å; K38-L198 HydrophobicContact CD-CD1 3.84Å | ||
| 199 | I | 24.3 | Very low | 25.4 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | trans | -143.3 | 95.5 | 154.9 | -31.2 | 179.2 | 0 | 0 | 0 | 103.5 | R197 | R197-I199 PolarHBondContact O-N 2.96Š| ||
| 200 | I | 24.4 | Very low | 25.3 | Very low | 129 Ų | 129 | 132 Ų | 132 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | 50 | 115.6 | 81 | -55.5 | 179.6 | 0 | 0 | 0 | 110.1 | Q202 | I200-Q202 PolarHBondContact O-N 3.37Š| |||
| 201 | P | 22 | Very low | 25 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | trans | -64.9 | 128.6 | -170.7 | 25.9 | -34.6 | 0 | 0 | 0 | 112.3 | ||||
| 202 | Q | 25.1 | Very low | 24.8 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | trans | -115.8 | 125.1 | 164 | -80.4 | -68.6 | -15 | 0 | 0 | 108 | I200 | I200-Q202 PolarHBondContact O-N 3.37Š| ||
| 203 | P | 22.1 | Very low | 24.9 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 61% | 0.61 | 69% | 0.69 | S | S | * | * | trans | -101.8 | 139.6 | -168.7 | 37.3 | -33.8 | 0 | 0 | 0 | 113.8 | ||||
| 204 | I | 21.8 | Very low | 25 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 80% | 0.795 | 69% | 0.685 | S | S | * | * | trans | 67.1 | 127 | 156.5 | -43.7 | 146.2 | 0 | 0 | 0 | 115.9 | ||||
| 205 | R | 23.9 | Very low | 25 | Very low | 217 Ų | 217 | 134.8 Ų | 134.8 | 82% | 0.819 | 68% | 0.678 | S | S | * | * | 165.8 | 122.6 | 117.7 | -88.7 | -168.9 | 168.5 | 158 | 0.6 | 114.4 | |||||
| 206 | H | 26 | Very low | 24.9 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | trans | 59.4 | 109.6 | 140.6 | -71.2 | -77.9 | 0 | 0 | 0 | 121.2 | ||||
| 207 | E | 23.5 | Very low | 25 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | 64.3 | 113.8 | 99.4 | -166 | -159.2 | -64.3 | 0 | 0 | 117.9 | |||||
| 208 | K | 26.7 | Very low | 24.9 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | 171.7 | 118.9 | 114.3 | -95.2 | -165.9 | 176.7 | 65.6 | 0 | 116.5 | |||||
| 209 | T | 26.5 | Very low | 25.1 | Very low | 111 Ų | 111 | 134 Ų | 134 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | trans | 57.7 | 102.9 | 130.4 | 65.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 210 | S | 25.5 | Very low | 25.2 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | 82.4 | 136.2 | 102.7 | 84.2 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 211 | N | 25.6 | Very low | 25.5 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 65% | 0.647 | 69% | 0.688 | S | S | * | * | 83.4 | 117.8 | 126.4 | -74.2 | 4 | 0 | 0 | 0 | 122.9 | |||||
| 212 | F | 25.9 | Very low | 25.5 | Very low | 163 Ų | 163 | 134 Ų | 134 | 72% | 0.715 | 69% | 0.689 | S | S | * | * | 108.2 | 126 | 107.8 | -88.2 | -158.3 | 0 | 0 | 0 | 122.8 | |||||
| 213 | L | 28.1 | Very low | 25.7 | Very low | 100 Ų | 100 | 130 Ų | 130 | 52% | 0.524 | 69% | 0.685 | S | S | . | * | trans | 74 | 157.1 | 136.1 | -60.9 | 172.2 | 0 | 0 | 0 | 118.3 | ||||
| 214 | H | 28.4 | Very low | 25.7 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 55% | 0.546 | 70% | 0.696 | S | S | . | * | cis | -159.3 | 145.3 | 17.5 | -119.2 | 154.1 | 0 | 0 | 0 | 113.1 | ||||
| 215 | L | 26.4 | Very low | 25.9 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 38% | 0.377 | 70% | 0.695 | S | S | . | * | trans | 64.4 | 110.4 | 134.8 | -65.9 | 163 | 0 | 0 | 0 | 123.6 | ||||
| 216 | R | 24.1 | Very low | 25.9 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | 69.4 | 123.5 | 101.3 | -167.5 | -160.8 | -152.2 | 158.8 | 5.8 | 119.1 | |||||
| 217 | A | 26.5 | Very low | 25.8 | Very low | 80 Ų | 80 | 128 Ų | 128 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | 162.1 | 128.4 | 112.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 218 | L | 24.9 | Very low | 26 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | 66 | 106.8 | 140.1 | -59.2 | 169.5 | 0 | 0 | 0 | 122.4 | ||||
| 219 | M | 25.8 | Very low | 25.8 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 80% | 0.803 | 71% | 0.713 | S | S | * | * | 66.5 | 115.3 | 123.5 | -57.1 | -154.4 | -56.8 | 0 | 0 | 123.4 | |||||
| 220 | N | 25.4 | Very low | 25.7 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | trans | 57.3 | 143.4 | 134.8 | -94 | -4.6 | 0 | 0 | 0 | 122.7 | ||||
| 221 | P | 31 | Very low | 25.8 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | trans | -93 | 144.9 | -173.2 | 37 | -35.3 | 0 | 0 | 0 | 114.4 | ||||
| 222 | S | 23.5 | Very low | 26 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -169.5 | 162.8 | 153.1 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 223 | A | 27.5 | Very low | 26 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | 67.3 | 139.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 224 | Y | 23.4 | Very low | 25.9 | Very low | 216 Ų | 216 | 133.6 Ų | 133.6 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | cis | 61.3 | 141 | 39.5 | -67.6 | -97.5 | 0 | 0 | 0 | 112.7 | ||||
| 225 | D | 25.6 | Very low | 25.8 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | cis | -142.7 | 176.9 | 10.8 | -152.6 | -16.4 | 0 | 0 | 0 | 111.7 | ||||
| 226 | S | 23.3 | Very low | 25.9 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -103.4 | 133.3 | 178.5 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 227 | S | 24.8 | Very low | 26 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -174.7 | 176.1 | 158.7 | 27.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 228 | E | 27.8 | Very low | 26 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 54.4 | 89.2 | 176.4 | -55.6 | -169.4 | 165.2 | 0 | 0 | 115.1 | ||||
| 229 | L | 22.7 | Very low | 26 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | cis | 64.1 | 126.5 | 20.2 | -129.7 | 177.5 | 0 | 0 | 0 | 114 | ||||
| 230 | S | 24.1 | Very low | 25.9 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | 62 | 98.2 | 174.3 | 63.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 231 | S | 27 | Very low | 25.8 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | -167.8 | 129.8 | 126.9 | 31.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 232 | I | 29.2 | Very low | 25.5 | Very low | 142 Ų | 142 | 136 Ų | 136 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | trans | 52 | 94.9 | 156.8 | -46.5 | 156.3 | 0 | 0 | 0 | 114.5 | ||||
| 233 | T | 26.1 | Very low | 25.6 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | cis | 45.4 | 73.8 | 18.8 | 66.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 234 | Q | 26.3 | Very low | 25.4 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | trans | -166.4 | 161.7 | 143.4 | -109.1 | 148.1 | 14.6 | 0 | 0 | 112.3 | ||||
| 235 | D | 26.8 | Very low | 25.5 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | 63.2 | 135.7 | 163.5 | -57.9 | -17.1 | 0 | 0 | 0 | 119.2 | ||||
| 236 | I | 28.5 | Very low | 25.4 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | cis | -155.1 | 125.3 | -3.7 | -106.6 | 160.4 | 0 | 0 | 0 | 103.8 | ||||
| 237 | V | 26 | Very low | 25.5 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | cis | 72 | 146.3 | 35 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 238 | P | 26.8 | Very low | 25.7 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | cis | -116.9 | -121.1 | -30.4 | 38.6 | -24.2 | 0 | 0 | 0 | 111.2 | ||||
| 239 | V | 24.7 | Very low | 25.7 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | 74.6 | 92.6 | 171.9 | -165.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 240 | S | 23 | Very low | 25.7 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | cis | 77 | 116.9 | 37.9 | 98 | 0 | 0 | 0 | 0 | 116 | ||||
| 241 | R | 24.5 | Very low | 25.8 | Very low | 194 Ų | 194 | 130.4 Ų | 130.4 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | -167.2 | 134 | 105.6 | -95.4 | 163.9 | -167.5 | -154.7 | 2.4 | 108.5 | |||||
| 242 | R | 23.9 | Very low | 26.2 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 70% | 0.698 | 74% | 0.74 | S | S | * | * | 55.3 | 144.7 | 87.2 | -53.7 | -174.3 | -164.3 | 173.7 | -4.4 | 112.5 | |||||
| 243 | E | 24.6 | Very low | 25.9 | Very low | 141 Ų | 141 | 129 Ų | 129 | 66% | 0.659 | 74% | 0.742 | S | S | * | * | cis | -135.5 | 166.6 | 11 | -92.4 | 99 | -149.2 | 0 | 0 | 107.6 | ||||
| 244 | T | 24.4 | Very low | 25.7 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 59% | 0.589 | 74% | 0.74 | S | S | * | * | cis | -163 | 170.9 | -4.3 | 17.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 245 | E | 24.6 | Very low | 25.8 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | 40.5 | 134 | 146.4 | -67.2 | 131.2 | -147.3 | 0 | 0 | 121.2 | ||||
| 246 | S | 24.1 | Very low | 25.8 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | cis | -157 | 140.5 | 12.7 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 247 | A | 26 | Very low | 26 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | 18.4 | 143.7 | 140 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 248 | G | 28.8 | Very low | 26.4 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | cis | -168.9 | -139.5 | 9.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 249 | T | 27.5 | Very low | 27 | Very low | 138 Ų | 138 | 122 Ų | 122 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | cis | 171.8 | 149 | -17.1 | 20.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 250 | C | 23.7 | Very low | 27.2 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | cis | -151.5 | -116.7 | -4.8 | -163.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 251 | D | 25.4 | Very low | 27.4 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | -96.7 | -153 | 178.3 | -157.3 | 10.4 | 0 | 0 | 0 | 110.9 | ||||
| 252 | P | 35.7 | Very low | 27.5 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | -117.1 | -140.3 | -131.5 | 40.8 | -20.1 | 0 | 0 | 0 | 113.6 | T254 | P252-T254 PolarHBondContact O-N 2.88Š| ||
| 253 | S | 22.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 118.3 Ų | 118.3 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -74.2 | 106.7 | -168.1 | 57.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 254 | T | 22.6 | Very low | 27.8 | Very low | 126 Ų | 126 | 116.1 Ų | 116.1 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -152.2 | 97.4 | 143.3 | -25.6 | 0 | 0 | 0 | 0 | 115 | P252 | P252-T254 PolarHBondContact O-N 2.88Š| ||
| 255 | S | 28.8 | Very low | 27.9 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | 66.4 | 167.3 | 150.4 | 80 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 256 | C | 26.5 | Very low | 28.2 | Very low | 101 Ų | 101 | 113.9 Ų | 113.9 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | trans | 52.2 | 90.7 | 153.1 | -64.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 257 | T | 32.1 | Very low | 28.2 | Very low | 116 Ų | 116 | 115.4 Ų | 115.4 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | 78 | 156.3 | 78.6 | 60.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 258 | T | 35 | Very low | 28.1 | Very low | 123 Ų | 123 | 114 Ų | 114 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | 55 | 95.7 | 158.1 | 45.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 259 | A | 38 | Very low | 27.8 | Very low | 86 Ų | 86 | 116.7 Ų | 116.7 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | 28.9 | 122 | 111.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 260 | T | 29.9 | Very low | 27.5 | Very low | 120 Ų | 120 | 115.8 Ų | 115.8 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | -122.7 | 139.8 | 90.7 | 28.7 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 261 | S | 26.7 | Very low | 27.4 | Very low | 69 Ų | 69 | 113.1 Ų | 113.1 | 48% | 0.483 | 68% | 0.678 | S | S | . | * | 51 | 130.2 | 69.8 | 114 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 262 | R | 26.5 | Very low | 27.3 | Very low | 208 Ų | 208 | 110.4 Ų | 110.4 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | cis | -140.6 | 136.9 | 43.9 | -114.4 | 124.8 | -157.1 | -177 | 7.5 | 111.3 | ||||
| 263 | T | 25.2 | Very low | 26.6 | Very low | 112 Ų | 112 | 113.8 Ų | 113.8 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | 42.7 | 140.2 | 122.7 | 66.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 264 | S | 30.7 | Very low | 26.6 | Very low | 95 Ų | 95 | 114 Ų | 114 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | cis | -144 | 134.1 | 38.6 | -39.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 265 | S | 26 | Very low | 26.6 | Very low | 95 Ų | 95 | 114.4 Ų | 114.4 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | 53.4 | 116.5 | 100.1 | 90 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 266 | I | 31.7 | Very low | 26.3 | Very low | 128 Ų | 128 | 114.2 Ų | 114.2 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | -160 | 173.7 | 67.4 | -101.1 | 144.8 | 0 | 0 | 0 | 110.3 | S268 | I266-S268 WeakPolarHBondContact CG2-O 3.17Š| |||
| 267 | D | 23.5 | Very low | 26.3 | Very low | 144 Ų | 144 | 114.5 Ų | 114.5 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | trans | -46.1 | -147.6 | 174.2 | -45.9 | -98.1 | 0 | 0 | 0 | 116.1 | I269 | D267-I269 PolarHBondContact O-N 3.37Š| ||
| 268 | S | 23.8 | Very low | 26 | Very low | 74 Ų | 74 | 113.6 Ų | 113.6 | 52% | 0.517 | 66% | 0.662 | S | S | . | * | trans | -23.6 | 127.8 | 138.6 | -50.8 | 0 | 0 | 0 | 0 | 113 | I266 | I266-S268 WeakPolarHBondContact CG2-O 3.17Š| ||
| 269 | I | 21.9 | Very low | 25.6 | Very low | 125 Ų | 125 | 118.7 Ų | 118.7 | 64% | 0.641 | 67% | 0.667 | S | S | * | * | -175.2 | 110.1 | 117.4 | -92.7 | 151.9 | 0 | 0 | 0 | 107.4 | D267 | D267-I269 PolarHBondContact O-N 3.37Š| |||
| 270 | E | 21.5 | Very low | 25.3 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 56% | 0.561 | 67% | 0.667 | S | S | * | * | 21.7 | 170 | 108 | -60.5 | -165.4 | 107.9 | 0 | 0 | 119.8 | |||||
| 271 | S | 21.8 | Very low | 25.3 | Very low | 73 Ų | 73 | 119.8 Ų | 119.8 | 51% | 0.51 | 67% | 0.665 | S | S | . | * | trans | 67.7 | 160 | 162.8 | 96.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 272 | C | 23.1 | Very low | 25.6 | Very low | 84 Ų | 84 | 123 Ų | 123 | 57% | 0.568 | 68% | 0.676 | S | S | * | * | 57.9 | 142.6 | 74.6 | -44.4 | 0 | 0 | 0 | 0 | 112.7 | L274 | C272-L274 HydrophobicContact CB-CD1 4.01Å; C272-L274 HydrophobicContact CB-CG 3.92Å | |||
| 273 | K | 21.2 | Very low | 25.7 | Very low | 176 Ų | 176 | 119.6 Ų | 119.6 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | cis | -98.6 | 128.4 | 21.4 | -83.5 | 75.7 | -169.4 | -178.8 | 0 | 111.9 | ||||
| 274 | L | 21.8 | Very low | 26 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 60% | 0.602 | 67% | 0.674 | S | S | * | * | 66 | 158.6 | 66 | -80.4 | 168.7 | 0 | 0 | 0 | 111.6 | C272 | C272-L274 HydrophobicContact CB-CD1 4.01Å; C272-L274 HydrophobicContact CB-CG 3.92Å | |||
| 275 | D | 22.4 | Very low | 25.6 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | trans | 53.6 | 115.1 | 154.3 | -58.7 | -31.7 | 0 | 0 | 0 | 117.4 | ||||
| 276 | S | 23.4 | Very low | 25.8 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | cis | -175.7 | -178.2 | 13.8 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 277 | S | 25.7 | Very low | 25.9 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | trans | 70.1 | 130.2 | 170.6 | 80.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 278 | C | 26.2 | Very low | 26.1 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | cis | -132.7 | 128.6 | -12.8 | -98.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 279 | R | 27.4 | Very low | 26.2 | Very low | 230 Ų | 230 | 137.3 Ų | 137.3 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | 61.6 | 74.7 | 87.7 | -63.6 | -176.7 | -174.2 | 159.1 | -2.9 | 114.3 | |||||
| 280 | S | 31 | Very low | 26.5 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | trans | -171 | 122.5 | 131 | 54.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 281 | N | 30.4 | Very low | 26.7 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | 52 | 109.1 | 68.9 | -58.2 | 1 | 0 | 0 | 0 | 108.3 | |||||
| 282 | D | 32.6 | Very low | 26.8 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | cis | -136 | 136.3 | 36.6 | -76.3 | -43.8 | 0 | 0 | 0 | 113.1 | ||||
| 283 | Q | 27.9 | Very low | 27 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | 66.5 | 95.3 | 67.4 | -62.3 | -175.6 | 66 | 0 | 0 | 113.6 | |||||
| 284 | H | 31.7 | Very low | 27.2 | Very low | 171 Ų | 171 | 140 Ų | 140 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | 165.4 | 113.8 | 130.1 | -87.5 | 44 | 0 | 0 | 0 | 107.7 | ||||
| 285 | C | 22.5 | Very low | 27.4 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | 72.2 | 138.2 | 65.6 | -69.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 286 | R | 29.9 | Very low | 27.6 | Very low | 224 Ų | 224 | 138.2 Ų | 138.2 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | cis | -172 | -173.4 | 4.3 | -116.8 | 168.7 | -163.6 | 178.7 | 4.8 | 108.2 | ||||
| 287 | P | 34.3 | Very low | 27.9 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | cis | -140.6 | -166.8 | -12.6 | 29.9 | -4.3 | 0 | 0 | 0 | 115.2 | ||||
| 288 | R | 28 | Very low | 28.1 | Very low | 233 Ų | 233 | 139.7 Ų | 139.7 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | -64.5 | -175.4 | 149.5 | -66.9 | 174.2 | 170.2 | 179.6 | -3.9 | 111.6 | ||||
| 289 | Q | 25.3 | Very low | 28.3 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -55 | 168.3 | 144 | -68.4 | -169.1 | 5.3 | 0 | 0 | 111.3 | ||
| 290 | P | 29.1 | Very low | 28.4 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | cis | -128.3 | -159.7 | -1.1 | 36.5 | -16.4 | 0 | 0 | 0 | 111.5 | ||||
| 291 | T | 24.3 | Very low | 28.3 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | 60.6 | 140.2 | 154.7 | 53.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 292 | T | 25.3 | Very low | 28.2 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | cis | -159.8 | 166.7 | -1.8 | 8.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 293 | F | 27.3 | Very low | 28 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | trans | 11.2 | 112.9 | 155.8 | -69.6 | -98.1 | 0 | 0 | 0 | 118 | ||||
| 294 | S | 25.8 | Very low | 27.8 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | -165.7 | 156.3 | 101.7 | 39.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 295 | C | 24.6 | Very low | 27.4 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | trans | 42.9 | 98.8 | 142 | -63.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 296 | S | 26.6 | Very low | 27.6 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | 56 | 138.7 | 101.7 | 70.8 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 297 | S | 29.2 | Very low | 27.3 | Very low | 84 Ų | 84 | 136.8 Ų | 136.8 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | cis | -179 | 147 | 6.4 | 35 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 298 | N | 30.5 | Very low | 27 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | 60.2 | 177.8 | 160.1 | -43.7 | -21 | 0 | 0 | 0 | 113 | ||||
| 299 | S | 30.3 | Very low | 26.8 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | cis | -144.1 | 168.3 | -15.4 | -8.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 300 | E | 30.7 | Very low | 26.7 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | cis | -167.1 | 152.7 | 7.4 | -117.3 | 145.7 | -127.8 | 0 | 0 | 104.7 | ||||
| 301 | T | 28.2 | Very low | 26.5 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | cis | -155.9 | 155.9 | -7.6 | -10.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 302 | A | 27.5 | Very low | 26.7 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | trans | 68.5 | 143.3 | 139.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 303 | L | 28.3 | Very low | 26.6 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | cis | -150.7 | 110.5 | -22.4 | -96.6 | 163.9 | 0 | 0 | 0 | 103.3 | ||||
| 304 | S | 24.3 | Very low | 26.7 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | 75.8 | 156.4 | 75.6 | 93.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 305 | C | 23.6 | Very low | 26.6 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 66% | 0.655 | 72% | 0.718 | S | S | * | * | trans | 70.8 | 141.1 | 164.2 | -64.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 306 | R | 25.8 | Very low | 26.5 | Very low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | cis | -152.2 | 159.7 | -0.2 | -116.8 | 159.3 | -154.3 | -154 | 4.2 | 110.9 | ||||
| 307 | R | 24.2 | Very low | 27 | Very low | 233 Ų | 233 | 130.4 Ų | 130.4 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | trans | -64.5 | 175.3 | 160.6 | -55.4 | 176.7 | 170.7 | 174.1 | -4.5 | 109.4 | ||||
| 308 | P | 28.3 | Very low | 26.9 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | cis | -145.5 | -170.4 | 12.7 | 38.3 | -15.1 | 0 | 0 | 0 | 116.6 | ||||
| 309 | Q | 24 | Very low | 26.4 | Very low | 166 Ų | 166 | 135 Ų | 135 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | 66.9 | 145.9 | 136.3 | -86.4 | 162.6 | -24.9 | 0 | 0 | 122.8 | ||||
| 310 | T | 23.4 | Very low | 26.1 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | 45.3 | 106.1 | 147.7 | 56.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 311 | A | 23.8 | Very low | 25.8 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | 99.1 | -175.8 | 82 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 312 | P | 28.9 | Very low | 25.7 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | -128.4 | -134.8 | -120.6 | 29.5 | -2.9 | 0 | 0 | 0 | 110 | |||||
| 313 | Q | 23.3 | Very low | 25.5 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | trans | 75.4 | 149 | 162.5 | -62.1 | -56.8 | -29.2 | 0 | 0 | 114.8 | ||||
| 314 | P | 29.4 | Very low | 25.3 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 58% | 0.584 | 74% | 0.737 | S | S | * | * | -138.1 | -102.8 | -119.5 | 37.5 | -14.6 | 0 | 0 | 0 | 112.7 | |||||
| 315 | E | 23.2 | Very low | 25.4 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | 57 | 95 | 166.4 | -77.3 | 150.2 | -123.4 | 0 | 0 | 117.3 | ||||
| 316 | L | 23.3 | Very low | 25.4 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | 79.7 | 142.6 | 71.5 | -88 | 84.2 | 0 | 0 | 0 | 114.2 | |||||
| 317 | P | 37 | Very low | 25.2 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -91.7 | 149.7 | -169.4 | 36.2 | -36 | 0 | 0 | 0 | 114 | ||||
| 318 | P | 25.9 | Very low | 25.1 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | -127.7 | 151.3 | 142 | 30.1 | -14.9 | 0 | 0 | 0 | 112.5 | ||||
| 319 | R | 22 | Very low | 24.9 | Very low | 228 Ų | 228 | 141.3 Ų | 141.3 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | cis | -159.8 | 168 | -8.9 | -120.8 | 164.2 | -164.9 | -179 | 3.9 | 111.8 | ||||
| 320 | L | 22.7 | Very low | 24.8 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | trans | -34.2 | 134.7 | 168.1 | -70 | 73.9 | 0 | 0 | 0 | 115.7 | ||||
| 321 | G | 25.7 | Very low | 25 | Very low | 69 Ų | 69 | 140.9 Ų | 140.9 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -173.8 | 85 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 322 | R | 24.9 | Very low | 25.1 | Very low | 212 Ų | 212 | 144 Ų | 144 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | 46.5 | 122.1 | 69.4 | -64.1 | -175.4 | 175.8 | -179.6 | -0.1 | 110.3 | |||||
| 323 | T | 24.1 | Very low | 24.9 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | cis | -148.3 | 150.2 | 29.1 | -5.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 324 | R | 24.4 | Very low | 25 | Very low | 234 Ų | 234 | 140.7 Ų | 140.7 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | 42.2 | 137.3 | 100.7 | -65.9 | 175.1 | 143.8 | 177.1 | -5.6 | 113.8 | |||||
| 325 | A | 25.1 | Very low | 24.7 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | cis | -168.8 | 171.1 | 22.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 326 | K | 23.6 | Very low | 24.7 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | trans | 74 | 140.6 | 141.3 | -76.4 | 170.9 | -177.1 | -172.5 | 0 | 118.5 | ||||
| 327 | F | 21.4 | Very low | 24.7 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | cis | -164.1 | 140 | -13.8 | -150.9 | -137 | 0 | 0 | 0 | 111.8 | ||||
| 328 | V | 23.4 | Very low | 23.9 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 52% | 0.515 | 71% | 0.714 | S | S | . | * | trans | 54 | 111.5 | 136.9 | 163.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 329 | R | 23.3 | Very low | 23.7 | Very low | 189 Ų | 189 | 138 Ų | 138 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | 70.5 | 154.1 | 103.6 | -61.9 | 176.7 | 175.8 | -176.2 | -3.4 | 113.8 | |||||
| 330 | W | 22.8 | Very low | 23.7 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 50% | 0.5 | 70% | 0.7 | S | S | . | * | cis | -148.2 | 168.8 | 28.8 | -166.9 | 64.5 | 0 | 0 | 0 | 112.8 | H332 E362 | W330-H332 AromaticContact CH2-CD2 3.27Å; W330-H332 WeakPolarHBondContact CH2-CD2 3.36Å; W330-H332 AromaticContact CH2-NE2 3.63Å; W330-H332 AromaticContact CZ2-CD2 3.76Å; W330-H332 HydrophobicContact CZ3-CB 4.39Å; W330-H332 AromaticContact CZ3-CD2 3.58Å; W330-E362 WeakPolarHBondContact CZ2-O 3.21Å | ||
| 331 | L | 27.2 | Very low | 23.7 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | trans | -89.6 | 157.7 | 176.7 | -81.2 | 140.4 | 0 | 0 | 0 | 110.9 | ||||
| 332 | H | 25.7 | Very low | 23.5 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 70% | 0.704 | 69% | 0.685 | S | S | * | * | trans | -166.1 | 160.2 | 132.9 | -123.8 | -107.6 | 0 | 0 | 0 | 113.1 | W330 | W330-H332 AromaticContact CH2-CD2 3.27Å; W330-H332 WeakPolarHBondContact CH2-CD2 3.36Å; W330-H332 AromaticContact CH2-NE2 3.63Å; W330-H332 AromaticContact CZ2-CD2 3.76Å; W330-H332 HydrophobicContact CZ3-CB 4.39Å; W330-H332 AromaticContact CZ3-CD2 3.58Å | ||
| 333 | S | 24.4 | Very low | 23.4 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | trans | 61.6 | 115 | -178.2 | -155.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 334 | A | 24.6 | Very low | 23.4 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 74% | 0.736 | 68% | 0.676 | S | S | * | * | 63.7 | 136.8 | 55.7 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 335 | S | 23.4 | Very low | 23.3 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | cis | -151.9 | 168.8 | 22 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 336 | S | 23.8 | Very low | 23.3 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 64% | 0.642 | S | S | * | * | trans | 53 | 110.7 | 169.9 | 53.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 337 | T | 22.4 | Very low | 23.3 | Very low | 121 Ų | 121 | 116.4 Ų | 116.4 | 74% | 0.742 | 62% | 0.617 | S | S | * | * | 59.3 | 124.2 | 71.7 | 65.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 338 | T | 22.2 | Very low | 23.5 | Very low | 96 Ų | 96 | 111.6 Ų | 111.6 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | cis | -155.1 | 138.3 | -3.9 | 27.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 339 | F | 21.3 | Very low | 23.4 | Very low | 144 Ų | 144 | 113.2 Ų | 113.2 | 63% | 0.632 | 60% | 0.604 | S | S | * | * | trans | -145.5 | 140 | 172.8 | -101.5 | -70.9 | 0 | 0 | 0 | 116.5 | P1648 | F339-P1648 HydrophobicContact CE1-CG 4.19Å; F339-P1648 HydrophobicContact CE2-CG 3.97Å; F339-P1648 HydrophobicContact CZ-CG 3.78Å | ||
| 340 | R | 21 | Very low | 23.4 | Very low | 166 Ų | 166 | 112.5 Ų | 112.5 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | trans | 64.3 | 143.7 | -177.6 | -68 | -174 | 171 | -169.3 | -2.7 | 113.2 | ||||
| 341 | P | 22.2 | Very low | 23.4 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 76% | 0.76 | 62% | 0.618 | S | S | * | * | -134.3 | 135.5 | 64.2 | 33.6 | -15.1 | 0 | 0 | 0 | 116.8 | |||||
| 342 | V | 22.2 | Very low | 23.2 | Very low | 58 Ų | 58 | 116.2 Ų | 116.2 | 35% | 0.352 | 62% | 0.624 | S | S | . | * | 39.4 | 106.2 | 100.9 | 175.9 | 0 | 0 | 0 | 0 | 115.8 | Y1129 Y1131 | V342-Y1129 HydrophobicContact CG1-CD1 4.47Å; V342-Y1129 HydrophobicContact CG1-CE1 3.44Å; V342-Y1129 VanDerWaalsContact CG1-CE1 3.44Å; V342-Y1129 HydrophobicContact CG1-CE2 4.45Å; V342-Y1129 VanDerWaalsContact CG1-CZ 3.4Å; V342-Y1129 WeakPolarHBondContact CG1-OH 3.04Å; V342-Y1131 HydrophobicContact CG1-CD2 4.5Å; V342-Y1131 HydrophobicContact CG2-CE2 4.33Å | |||
| 343 | R | 23.9 | Very low | 23.2 | Very low | 201 Ų | 201 | 112.3 Ų | 112.3 | 76% | 0.758 | 62% | 0.624 | S | S | * | * | trans | -146.9 | 134.9 | 156.8 | -93.8 | -162.7 | -179 | 175.7 | 4 | 112.1 | Y1129 | R343-Y1129 VanDerWaalsContact CA-OH 3.29Å; R343-Y1129 WeakPolarHBondContact CA-OH 3.12Å; R343-Y1129 PolarHBondContact N-OH 3.02Å | ||
| 344 | D | 22.7 | Very low | 23.2 | Very low | 99 Ų | 99 | 111.9 Ų | 111.9 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | trans | -160.4 | -175.4 | -178.2 | -166.4 | -4.5 | 0 | 0 | 0 | 105.5 | Y1129 | D344-Y1129 HydrophobicContact CB-CD2 4.03Å; D344-Y1129 HydrophobicContact CB-CE1 4.24Å; D344-Y1129 HydrophobicContact CB-CE2 3.21Å; D344-Y1129 VanDerWaalsContact CB-OH 3.26Å; D344-Y1129 WeakPolarHBondContact CB-OH 2.99Å; D344-Y1129 PolarHBondContact N-OH 2.99Å; D344-Y1129 VanDerWaalsContact N-OH 3.14Å | ||
| 345 | C | 23.9 | Very low | 23.1 | Very low | 45 Ų | 45 | 113.5 Ų | 113.5 | 30% | 0.304 | 62% | 0.616 | S | S | . | * | trans | 65.2 | 129 | 149.3 | -93.1 | 0 | 0 | 0 | 0 | 120.6 | P1128 | C345-P1128 PolarHBondContact SG-O 3.37Š| ||
| 346 | S | 23.3 | Very low | 23.1 | Very low | 70 Ų | 70 | 114.4 Ų | 114.4 | 49% | 0.49 | 62% | 0.617 | S | S | . | * | 75.6 | 60.9 | 75.4 | 34.9 | 0 | 0 | 0 | 0 | 117.7 | L348 T1004 | S346-L348 PolarHBondContact O-N 2.88Å; S346-T1004 VanDerWaalsContact CB-CG2 3.42Å; S346-T1004 VanDerWaalsContact OG-CG2 3.32Å; S346-T1004 WeakPolarHBondContact OG-CG2 3.5Å | |||
| 347 | P | 24.1 | Very low | 23.2 | Very low | 50 Ų | 50 | 115.7 Ų | 115.7 | 33% | 0.325 | 62% | 0.623 | S | S | . | * | trans | -78.9 | 127.7 | -169.3 | 31.8 | -34.7 | 0 | 0 | 0 | 113 | I1007 | P347-I1007 HydrophobicContact CB-CD1 4.05Å; P347-I1007 HydrophobicContact CG-CD1 4.13Å | ||
| 348 | L | 24.9 | Very low | 23.2 | Very low | 75 Ų | 75 | 118 Ų | 118 | 39% | 0.393 | 63% | 0.63 | S | S | . | * | trans | -159.2 | 117 | 152.6 | -102.8 | 127.2 | 0 | 0 | 0 | 114.6 | S346 Y1181 | S346-L348 PolarHBondContact O-N 2.88Å; L348-Y1181 HydrophobicContact CB-CE2 4.22Å; L348-Y1181 WeakPolarHBondContact CB-OH 3.43Å; L348-Y1181 WeakPolarHBondContact CD1-OH 3.49Å; L348-Y1181 HydrophobicContact CD2-CE2 3.84Å; L348-Y1181 HydrophobicContact CG-CE2 4.48Å | ||
| 349 | I | 23.1 | Very low | 23.2 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | trans | 31.2 | 104.6 | 139.8 | -45.5 | 179.1 | 0 | 0 | 0 | 118.5 | ||||
| 350 | I | 22.4 | Very low | 23.3 | Very low | 174 Ų | 174 | 119 Ų | 119 | 89% | 0.892 | 64% | 0.638 | S | S | * | * | trans | -120.3 | 157.8 | 132.9 | -65.3 | -177.1 | 0 | 0 | 0 | 107.2 | ||||
| 351 | R | 23.4 | Very low | 23.3 | Very low | 167 Ų | 167 | 119.4 Ų | 119.4 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | trans | -113.6 | 160.8 | -162.1 | -155.4 | 175.2 | 179 | -163.3 | -1.5 | 113 | ||||
| 352 | E | 23.6 | Very low | 23.4 | Very low | 193 Ų | 193 | 121.2 Ų | 121.2 | 90% | 0.902 | 65% | 0.645 | S | S | * | * | trans | -85.3 | 158.6 | -164.6 | -55.8 | 160.5 | 120.2 | 0 | 0 | 116 | ||||
| 353 | G | 25.5 | Very low | 23.5 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | trans | 125.6 | 141.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 354 | C | 22.8 | Very low | 23.5 | Very low | 95 Ų | 95 | 118.6 Ų | 118.6 | 64% | 0.642 | 65% | 0.651 | S | S | * | * | cis | -163.7 | 153.7 | -2.9 | -114.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 355 | L | 23.8 | Very low | 23.6 | Very low | 123 Ų | 123 | 119 Ų | 119 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | trans | 70.8 | 103.3 | 147.7 | -65.6 | 170.3 | 0 | 0 | 0 | 123.5 | ||||
| 356 | T | 23.1 | Very low | 23.7 | Very low | 124 Ų | 124 | 123 Ų | 123 | 76% | 0.761 | 68% | 0.675 | S | S | * | * | 58.4 | 135.3 | 126.5 | 54.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 357 | P | 25.5 | Very low | 23.9 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | trans | -95.4 | 169.5 | 173.5 | 40.2 | -36.2 | 0 | 0 | 0 | 114.5 | ||||
| 358 | I | 23 | Very low | 24 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -137.2 | 147.2 | 160.8 | -64.6 | -177.5 | 0 | 0 | 0 | 108.6 | ||||
| 359 | E | 22.7 | Very low | 24 | Very low | 182 Ų | 182 | 131.2 Ų | 131.2 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | trans | -85.5 | 152.8 | -173.8 | -60.2 | 150.7 | 140.5 | 0 | 0 | 113.5 | ||||
| 360 | S | 22.4 | Very low | 24 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 54% | 0.538 | 72% | 0.723 | S | S | . | * | trans | 178.8 | 110.3 | 133 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 361 | E | 21.9 | Very low | 24 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | 50 | 162.8 | 125.7 | -64.3 | 178.6 | 133.8 | 0 | 0 | 124.2 | |||||
| 362 | E | 23.1 | Very low | 24 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | 65.6 | 105.2 | 163.1 | -71.7 | 178 | 164.4 | 0 | 0 | 121 | W330 | W330-E362 WeakPolarHBondContact CZ2-O 3.21Š| ||
| 363 | N | 24.3 | Very low | 24 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | 20.1 | 131.9 | 112.3 | -58 | -21.8 | 0 | 0 | 0 | 116 | |||||
| 364 | S | 24.3 | Very low | 24.4 | Very low | 80 Ų | 80 | 138 Ų | 138 | 56% | 0.559 | 73% | 0.731 | S | S | * | * | 175.3 | 163.3 | 57 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 365 | T | 25.2 | Very low | 24.3 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | 56.9 | 117.3 | 147.9 | 49.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 366 | N | 25.5 | Very low | 24.3 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | 80.9 | 121.7 | 121.5 | -66.4 | -8.9 | 0 | 0 | 0 | 121.6 | |||||
| 367 | N | 27.9 | Very low | 24.2 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | 45.1 | 129.9 | 116.2 | -61.3 | -20.5 | 0 | 0 | 0 | 118.6 | |||||
| 368 | S | 25.2 | Very low | 24 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | cis | 174 | -156.1 | 14.8 | 42.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 369 | L | 24.3 | Very low | 24.1 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | trans | 85.7 | 103.8 | 153.6 | -60 | 154.2 | 0 | 0 | 0 | 119.5 | ||||
| 370 | K | 24 | Very low | 24.2 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | 92.5 | 110.1 | 119 | -74.7 | 173.9 | 177.9 | 166 | 0 | 121.3 | |||||
| 371 | Y | 22.5 | Very low | 24.4 | Very low | 215 Ų | 215 | 141.7 Ų | 141.7 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | 39.9 | 112 | 115.3 | -74.8 | -97.6 | 0 | 0 | 0 | 117.9 | |||||
| 372 | R | 23.5 | Very low | 24.6 | Very low | 240 Ų | 240 | 139.4 Ų | 139.4 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | -174.3 | 162 | 104.2 | -102.9 | 170.2 | -179.3 | -178.8 | -0.8 | 115.8 | |||||
| 373 | T | 23.4 | Very low | 24.7 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -68.5 | 172.6 | -175.3 | 19.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 374 | P | 33.4 | Very low | 24.7 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | trans | -98.2 | 173.7 | -159.7 | 39.9 | -38.5 | 0 | 0 | 0 | 114.8 | ||||
| 375 | M | 21.5 | Very low | 24.6 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | trans | -172.4 | 156.3 | 138 | -111.9 | -178.1 | 141.4 | 0 | 0 | 116.3 | ||||
| 376 | T | 22.6 | Very low | 24.6 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | trans | 57.8 | 119.5 | 146.1 | 54.7 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 377 | S | 21.5 | Very low | 24.6 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | 85.9 | 119.3 | 116.9 | 74.2 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 378 | M | 21.9 | Very low | 24.3 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 82% | 0.823 | 71% | 0.711 | S | S | * | * | 77.8 | 143.3 | 127.6 | -79.8 | -163.4 | 174.5 | 0 | 0 | 123.4 | |||||
| 379 | N | 25 | Very low | 24.3 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 65% | 0.647 | 72% | 0.716 | S | S | * | * | trans | 73.3 | 148.6 | 152.3 | -71.1 | -20.1 | 0 | 0 | 0 | 119.5 | ||||
| 380 | K | 25.4 | Very low | 24.3 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | cis | -176.5 | 150.4 | -35.6 | -121.8 | -178 | -159 | 169.5 | 0 | 108.3 | ||||
| 381 | N | 25.5 | Very low | 24.3 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | 66.4 | 166.4 | 161.9 | -51.4 | -9.3 | 0 | 0 | 0 | 114.1 | ||||
| 382 | T | 25.6 | Very low | 24.4 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | cis | -139.7 | 165.1 | 13.8 | -38.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 383 | T | 25.5 | Very low | 24.4 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 53% | 0.534 | 71% | 0.71 | S | S | . | * | trans | -122.5 | -147.1 | -169.7 | -35.1 | 0 | 0 | 0 | 0 | 110.2 | T1158 | T383-T1158 HydrophobicContact CG2-CG2 4.15Š| ||
| 384 | T | 23.9 | Very low | 24.3 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | trans | 66.8 | 124.8 | 154.2 | 46.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 385 | I | 22.9 | Very low | 23.9 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 51% | 0.508 | 72% | 0.715 | S | S | . | * | cis | -152.2 | 165 | -8.5 | -22.1 | 168.6 | 0 | 0 | 0 | 108.8 | T1158 | I385-T1158 HydrophobicContact CB-CG2 4.35Å; I385-T1158 HydrophobicContact CG2-CG2 3.87Å | ||
| 386 | Y | 25.8 | Very low | 24.5 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | 173.5 | -177.4 | 114 | -87.5 | -59 | 0 | 0 | 0 | 112.3 | |||||
| 387 | T | 24.9 | Very low | 24.6 | Very low | 90 Ų | 90 | 138.6 Ų | 138.6 | 55% | 0.552 | 71% | 0.708 | S | S | * | * | trans | -149.6 | 140.1 | -131.3 | 40.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 388 | D | 23 | Very low | 24.8 | Very low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | trans | 68.7 | 165.5 | 137 | -54.3 | -32 | 0 | 0 | 0 | 123.1 | ||||
| 389 | N | 25.3 | Very low | 25 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | 97.1 | 143.6 | 168.2 | -53.1 | -64.7 | 0 | 0 | 0 | 117.9 | ||||
| 390 | Y | 23.6 | Very low | 25 | Very low | 204 Ų | 204 | 137.2 Ų | 137.2 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | cis | -168 | 171.7 | -33.2 | -134.5 | -84.9 | 0 | 0 | 0 | 107.2 | ||||
| 391 | D | 23.7 | Very low | 24.9 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | trans | -53.2 | 143.8 | -176.3 | -49.4 | -66.7 | 0 | 0 | 0 | 116.9 | ||||
| 392 | K | 23.7 | Very low | 25.2 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 82% | 0.817 | 71% | 0.71 | S | S | * | * | 171.5 | 150.1 | 126.3 | -96.6 | 154.5 | -169.6 | 167.4 | 0 | 116.2 | |||||
| 393 | L | 23.5 | Very low | 25.4 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | trans | 61.7 | 121.5 | 154.2 | -61.2 | 162.4 | 0 | 0 | 0 | 117.2 | ||||
| 394 | Q | 21.5 | Very low | 25.6 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | 65.4 | 90.1 | 71.1 | -72 | -164 | -80.9 | 0 | 0 | 116.2 | |||||
| 395 | E | 26.4 | Very low | 25.7 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | 57.6 | -175.9 | 136.2 | -107.7 | -175.9 | -140.1 | 0 | 0 | 118.7 | ||||
| 396 | P | 34.3 | Very low | 25.8 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 57% | 0.565 | 73% | 0.73 | S | S | * | * | cis | -134 | -174.4 | -23.5 | 30.2 | -9 | 0 | 0 | 0 | 115 | ||||
| 397 | L | 24.1 | Very low | 25.7 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | trans | 65.9 | 169.7 | 142.1 | -85.6 | 166 | 0 | 0 | 0 | 118 | ||||
| 398 | I | 24.7 | Very low | 25.7 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | cis | -136.1 | 153.7 | -6.7 | -41.5 | 162 | 0 | 0 | 0 | 108.3 | ||||
| 399 | T | 26.2 | Very low | 25.8 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | 147 | 126.4 | 130.3 | 49.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 400 | T | 25.5 | Very low | 25.8 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | cis | -154.7 | 137.4 | -20.8 | -37 | 0 | 0 | 0 | 0 | 109.9 | P402 | T400-P402 HydrophobicContact CG2-CG 3.98Š| ||
| 401 | I | 23 | Very low | 25.8 | Very low | 169 Ų | 169 | 136 Ų | 136 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | trans | -137.7 | 124.1 | 149.1 | -59.4 | 179.8 | 0 | 0 | 0 | 107.4 | ||||
| 402 | P | 32.5 | Very low | 25.7 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | trans | -131.2 | 112 | 169.1 | 34.1 | -16.4 | 0 | 0 | 0 | 112.7 | T400 | T400-P402 HydrophobicContact CG2-CG 3.98Š| ||
| 403 | A | 29.9 | Very low | 25.7 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -164.9 | 120.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 404 | I | 28.7 | Very low | 25.8 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | trans | 65.8 | 71.3 | 132.7 | -54.4 | 179.4 | 0 | 0 | 0 | 116.9 | ||||
| 405 | T | 26.2 | Very low | 26 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 64% | 0.638 | 73% | 0.734 | S | S | * | * | 57.7 | 138.7 | 117.9 | 61 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 406 | N | 25.2 | Very low | 25.9 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 67.9 | 136.2 | 137 | -68.8 | -22.5 | 0 | 0 | 0 | 118 | ||||
| 407 | K | 24.1 | Very low | 25.4 | Very low | 168 Ų | 168 | 127 Ų | 127 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | cis | -166 | 157.3 | 23.4 | -122.9 | 163.1 | 178.3 | 179.8 | 0 | 110.6 | ||||
| 408 | L | 24.8 | Very low | 25.4 | Very low | 144 Ų | 144 | 122.2 Ų | 122.2 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | 59.4 | 123.6 | 142.9 | -70.2 | 162.1 | 0 | 0 | 0 | 122.9 | ||||
| 409 | S | 24.1 | Very low | 25.4 | Very low | 81 Ų | 81 | 124 Ų | 124 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | trans | 61.4 | 115 | 132.8 | 65.6 | 0 | 0 | 0 | 0 | 122.9 | S411 | S409-S411 PolarHBondContact O-OG 3.35Š| ||
| 410 | H | 25.8 | Very low | 25.3 | Very low | 201 Ų | 201 | 121.4 Ų | 121.4 | 93% | 0.931 | 71% | 0.71 | S | S | * | * | trans | 20.7 | 98.9 | 131.6 | -57.3 | -71.2 | 0 | 0 | 0 | 118.2 | ||||
| 411 | S | 23.5 | Very low | 25.4 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | trans | -151.9 | 126.2 | 173.1 | 20.1 | 0 | 0 | 0 | 0 | 108.3 | S409 | S409-S411 PolarHBondContact O-OG 3.35Š| ||
| 412 | T | 22.3 | Very low | 25.5 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | 45.5 | 101.1 | 94.8 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 413 | T | 24.4 | Very low | 25.3 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | 67 | 136.6 | 79.8 | 61.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 414 | A | 24.6 | Very low | 25.1 | Very low | 85 Ų | 85 | 127.1 Ų | 127.1 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | trans | 68.4 | 143.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 415 | S | 26.8 | Very low | 25 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | cis | 70.6 | 89.3 | 34.9 | -46.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 416 | D | 24.1 | Very low | 25 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -134 | 92.4 | 163.1 | -104.9 | -51.3 | 0 | 0 | 0 | 109.5 | L418 | D416-L418 PolarHBondContact OD1-N 2.88Š| ||
| 417 | L | 22 | Very low | 25.1 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 64% | 0.644 | 73% | 0.727 | S | S | * | * | S | Bend | -110.2 | 117 | 108.9 | -71.2 | -176.9 | 0 | 0 | 0 | 106.8 | Q53 | Q53-L417 HydrophobicContact CB-CD2 4.45Å; Q53-L417 WeakPolarHBondContact O-CD1 3.39Å; Q53-L417 WeakPolarHBondContact O-CD2 3.48Å | |
| 418 | L | 24.4 | Very low | 25.2 | Very low | 56 Ų | 56 | 125 Ų | 125 | 29% | 0.293 | 72% | 0.718 | S | S | . | * | S | Bend | trans | 98.1 | 110.3 | 154.6 | -53.3 | 177.5 | 0 | 0 | 0 | 121.5 | N50 I51 H52 D416 | N50-L418 VanDerWaalsContact C-CD1 3.42Å; N50-L418 WeakPolarHBondContact O-CD1 3.4Å; I51-L418 VanDerWaalsContact C-CD1 3.47Å; I51-L418 VanDerWaalsContact N-CD1 3.27Å; I51-L418 WeakPolarHBondContact O-CD1 2.78Å; I51-L418 WeakPolarHBondContact O-CD2 3.41Å; H52-L418 HydrophobicContact CB-CD2 3.86Å; H52-L418 VanDerWaalsContact O-CD1 3.3Å; H52-L418 WeakPolarHBondContact O-CD1 3.5Å; H52-L418 VanDerWaalsContact O-CD2 3.29Å; H52-L418 WeakPolarHBondContact O-CD2 3.22Å; H52-L418 VanDerWaalsContact O-CG 3.29Å; H52-L418 WeakPolarHBondContact O-CG 3.3Å; D416-L418 PolarHBondContact OD1-N 2.88Å |
| 419 | H | 25.1 | Very low | 25.3 | Very low | 169 Ų | 169 | 126 Ų | 126 | 78% | 0.782 | 72% | 0.719 | S | S | * | * | 42.2 | 95.4 | 125.6 | -69.3 | -40.9 | 0 | 0 | 0 | 118.4 | |||||
| 420 | G | 24.6 | Very low | 25.5 | Very low | 73 Ų | 73 | 125.3 Ų | 125.3 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | 173.4 | 119.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 421 | P | 26.7 | Very low | 25.4 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 81% | 0.805 | 71% | 0.709 | S | S | * | * | trans | -88 | 152.9 | -168.5 | 34 | -36 | 0 | 0 | 0 | 115.1 | ||||
| 422 | T | 26 | Very low | 25.5 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | 1.5 | 145.7 | 139.9 | 66.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 423 | P | 28.4 | Very low | 25.7 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | -155.8 | 156.4 | 57.2 | 41.7 | -20.6 | 0 | 0 | 0 | 121.6 | |||||
| 424 | R | 25.5 | Very low | 25.7 | Very low | 229 Ų | 229 | 127.6 Ų | 127.6 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | trans | 27.1 | 125.1 | 132.4 | -53 | 169.2 | 174.6 | 168.6 | -3 | 119.4 | ||||
| 425 | S | 27.1 | Very low | 25.7 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | 172.6 | 118.4 | 98 | 54.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 426 | N | 26.3 | Very low | 25.7 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | 73.5 | 153 | 73.2 | -77.1 | -5.9 | 0 | 0 | 0 | 114.5 | |||||
| 427 | F | 26.2 | Very low | 25.8 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.803 | 71% | 0.712 | S | S | * | * | trans | 76.7 | 126.5 | 173.5 | -62.2 | -83.3 | 0 | 0 | 0 | 117.3 | ||||
| 428 | T | 26.2 | Very low | 25.8 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | cis | -172.7 | 160.3 | -22.5 | 8.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 429 | H | 27.7 | Very low | 25.9 | Very low | 166 Ų | 166 | 139 Ų | 139 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 68.1 | 152.5 | 143.7 | -73 | -23.1 | 0 | 0 | 0 | 118.2 | ||||
| 430 | A | 27.3 | Very low | 26 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 55% | 0.554 | 74% | 0.743 | S | S | * | * | cis | -158.1 | 140.5 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 431 | R | 25 | Very low | 25.8 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | trans | 67.5 | 149.9 | 139.5 | -62.9 | 173.4 | -177.3 | -176.5 | 1.4 | 115.6 | ||||
| 432 | R | 25.3 | Very low | 25.6 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | cis | -163.1 | 164.5 | -6.2 | -122.9 | 171.7 | -178.1 | 176.4 | -2.8 | 107.3 | ||||
| 433 | S | 25.6 | Very low | 25.5 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 47 | 135.7 | 145.8 | 62.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 434 | S | 25 | Very low | 25.3 | Very low | 95 Ų | 95 | 150 Ų | 150 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | cis | 178.7 | 158.5 | 3.6 | 40.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 435 | F | 25.3 | Very low | 25.2 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 25.8 | 120 | 142.1 | -70.8 | -107.8 | 0 | 0 | 0 | 118.8 | ||||
| 436 | K | 26.5 | Very low | 25.1 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | -151.2 | 156.4 | 109.9 | -108.2 | 166.1 | -176.5 | -177.7 | 0 | 111.2 | |||||
| 437 | P | 25.4 | Very low | 24.9 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 60% | 0.604 | 74% | 0.739 | S | S | * | * | trans | -119.8 | -168.3 | -157 | 44.4 | -33.2 | 0 | 0 | 0 | 113.6 | ||||
| 438 | T | 23.3 | Very low | 25 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -28.9 | 129.9 | 156.4 | 51.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 439 | T | 24.9 | Very low | 25 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -164.8 | 152 | 152.2 | 5.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 440 | P | 27.7 | Very low | 24.8 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | trans | -95.6 | -166.9 | -179.9 | 40.1 | -35.6 | 0 | 0 | 0 | 112.1 | ||||
| 441 | M | 21.1 | Very low | 24.8 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | trans | 1.2 | 124.6 | 164.1 | -60.6 | 174.3 | 78 | 0 | 0 | 118.2 | ||||
| 442 | K | 23 | Very low | 24.7 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | -169.3 | 153.6 | 118.2 | -107.5 | 163.2 | -175.1 | 179.2 | 0 | 114.7 | |||||
| 443 | Q | 23.4 | Very low | 24.6 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | trans | -78.9 | 156.2 | 179.6 | -54 | 121.2 | -54.9 | 0 | 0 | 112.9 | F445 | Q443-F445 HydrophobicContact CB-CD2 3.66Å; Q443-F445 HydrophobicContact CB-CE2 3.82Å; Q443-F445 HydrophobicContact CG-CE2 4.39Å | ||
| 444 | K | 24.4 | Very low | 24.5 | Very low | 211 Ų | 211 | 142.8 Ų | 142.8 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | trans | -131.9 | 113.6 | 134 | -72.3 | -173.8 | 174.4 | -174.4 | 0 | 106.2 | ||||
| 445 | F | 22.7 | Very low | 24.8 | Very low | 126 Ų | 126 | 143 Ų | 143 | 55% | 0.553 | 74% | 0.744 | S | S | * | * | cis | 80.7 | 93.1 | 49.3 | -81.3 | -67.4 | 0 | 0 | 0 | 115.7 | Q443 F447 | Q443-F445 HydrophobicContact CB-CD2 3.66Å; Q443-F445 HydrophobicContact CB-CE2 3.82Å; Q443-F445 HydrophobicContact CG-CE2 4.39Å; F445-F447 HydrophobicContact CB-CD2 3.98Å; F445-F447 HydrophobicContact CB-CE2 4.09Å; F445-F447 AromaticContact CD1-CD2 3.48Å; F445-F447 HydrophobicContact CD1-CD2 3.48Å; F445-F447 VanDerWaalsContact CD1-CD2 3.48Å; F445-F447 HydrophobicContact CD1-CE1 4.5Å; F445-F447 AromaticContact CD1-CE2 3.25Å; F445-F447 HydrophobicContact CD1-CE2 3.25Å; F445-F447 HydrophobicContact CD1-CG 4.2Å; F445-F447 AromaticContact CD1-CZ 3.81Å; F445-F447 HydrophobicContact CD1-CZ 3.81Å; F445-F447 HydrophobicContact CE1-CD2 4.28Å; F445-F447 HydrophobicContact CE1-CE1 4.41Å; F445-F447 AromaticContact CE1-CE2 3.73Å; F445-F447 HydrophobicContact CE1-CE2 3.73Å; F445-F447 AromaticContact CE1-CZ 3.8Å; F445-F447 HydrophobicContact CE1-CZ 3.8Å; F445-F447 HydrophobicContact CG-CD2 4.07Å; F445-F447 AromaticContact CG-CE2 3.8Å; F445-F447 HydrophobicContact CG-CE2 3.8Å | ||
| 446 | S | 24.6 | Very low | 24.6 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -148.3 | 71 | 148.4 | 53.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 447 | F | 22 | Very low | 24.4 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | 54.4 | 84.6 | 92 | -88.7 | -66.2 | 0 | 0 | 0 | 115.1 | F445 | F445-F447 HydrophobicContact CB-CD2 3.98Å; F445-F447 HydrophobicContact CB-CE2 4.09Å; F445-F447 AromaticContact CD1-CD2 3.48Å; F445-F447 HydrophobicContact CD1-CD2 3.48Å; F445-F447 VanDerWaalsContact CD1-CD2 3.48Å; F445-F447 HydrophobicContact CD1-CE1 4.5Å; F445-F447 AromaticContact CD1-CE2 3.25Å; F445-F447 HydrophobicContact CD1-CE2 3.25Å; F445-F447 HydrophobicContact CD1-CG 4.2Å; F445-F447 AromaticContact CD1-CZ 3.81Å; F445-F447 HydrophobicContact CD1-CZ 3.81Å; F445-F447 HydrophobicContact CE1-CD2 4.28Å; F445-F447 HydrophobicContact CE1-CE1 4.41Å; F445-F447 AromaticContact CE1-CE2 3.73Å; F445-F447 HydrophobicContact CE1-CE2 3.73Å; F445-F447 AromaticContact CE1-CZ 3.8Å; F445-F447 HydrophobicContact CE1-CZ 3.8Å; F445-F447 HydrophobicContact CG-CD2 4.07Å; F445-F447 AromaticContact CG-CE2 3.8Å; F445-F447 HydrophobicContact CG-CE2 3.8Å | |||
| 448 | H | 28.1 | Very low | 24.3 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | -142.1 | 115.5 | 119.2 | -97.5 | -55.6 | 0 | 0 | 0 | 110.7 | |||||
| 449 | N | 25.8 | Very low | 24.3 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | 41 | 117.3 | 126.4 | -52 | -2 | 0 | 0 | 0 | 118.2 | |||||
| 450 | T | 24.6 | Very low | 24.2 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | 58.4 | 147.8 | 65.4 | 71 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 451 | P | 26.7 | Very low | 24.1 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | cis | -117.9 | 163.4 | 13.4 | 5.5 | 21.9 | 0 | 0 | 0 | 114.2 | ||||
| 452 | I | 23.1 | Very low | 24.2 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | 74.6 | 128.3 | 65.9 | -54.2 | 167.4 | 0 | 0 | 0 | 114.9 | |||||
| 453 | N | 23.4 | Very low | 24.2 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | 68 | 158.6 | 170 | -68.8 | -14 | 0 | 0 | 0 | 116.9 | ||||
| 454 | L | 24.2 | Very low | 24.2 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | cis | -142.6 | 151.1 | 7.8 | -160.7 | 71.9 | 0 | 0 | 0 | 110.2 | ||||
| 455 | P | 30 | Very low | 24.1 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | trans | -83.3 | -175.9 | 170.1 | 35.2 | -38.1 | 0 | 0 | 0 | 113.2 | ||||
| 456 | L | 21.5 | Very low | 24.2 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | 97.4 | 144.1 | 162.3 | -61.6 | 158.1 | 0 | 0 | 0 | 118.3 | ||||
| 457 | I | 22.9 | Very low | 24.2 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | trans | 66.1 | 129.9 | 149.5 | -67.7 | 156.4 | 0 | 0 | 0 | 117.4 | ||||
| 458 | T | 22.1 | Very low | 24.3 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | cis | -161.8 | -170.7 | -24.5 | 39.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 459 | N | 23.8 | Very low | 24.1 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | trans | 28.7 | 134.8 | 130.7 | -61.9 | -0.7 | 0 | 0 | 0 | 118.6 | ||||
| 460 | N | 23.9 | Very low | 24.1 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 63% | 0.631 | 71% | 0.708 | S | S | * | * | cis | -176.1 | -165.4 | 6 | -119.8 | -21.7 | 0 | 0 | 0 | 108.8 | ||||
| 461 | Q | 25 | Very low | 24.2 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | trans | 63.1 | 93.2 | 143.1 | -79.2 | 153.1 | 1.5 | 0 | 0 | 116.4 | ||||
| 462 | T | 23.5 | Very low | 24 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | 75.8 | 151.8 | 77.4 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 463 | S | 22.5 | Very low | 24.1 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | trans | 73.6 | 134.1 | 165.3 | -108.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 464 | T | 24 | Very low | 24.2 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | cis | -152.7 | 172.4 | -11.7 | -14.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 465 | T | 22.3 | Very low | 24.8 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | trans | -36.8 | 139.3 | 148.1 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 466 | V | 24 | Very low | 24.9 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | -156.4 | 149.1 | 101.9 | 139.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 467 | N | 24.1 | Very low | 25 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 60% | 0.599 | 69% | 0.686 | S | S | * | * | trans | -53.4 | 176.8 | 178 | -40.4 | -32.2 | 0 | 0 | 0 | 114 | ||||
| 468 | H | 25.2 | Very low | 25 | Very low | 165 Ų | 165 | 117.2 Ų | 117.2 | 76% | 0.764 | 68% | 0.684 | S | S | * | * | trans | 75 | 145.2 | 145.9 | -70.1 | -44.4 | 0 | 0 | 0 | 118.3 | ||||
| 469 | V | 24.5 | Very low | 25.1 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | cis | -164.5 | 171.6 | -21.2 | 73.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 470 | N | 24.6 | Very low | 25.1 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | trans | 65.1 | 115.3 | 160.6 | -70 | -5.6 | 0 | 0 | 0 | 118.9 | ||||
| 471 | T | 26.3 | Very low | 25.1 | Very low | 81 Ų | 81 | 116.6 Ų | 116.6 | 50% | 0.497 | 66% | 0.663 | S | S | . | * | 12.6 | 133.7 | 116.4 | 53.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 472 | F | 23.9 | Very low | 25 | Very low | 175 Ų | 175 | 116.7 Ų | 116.7 | 77% | 0.768 | 67% | 0.667 | S | S | * | * | -150.4 | 106.9 | 118.6 | -108.9 | -71.2 | 0 | 0 | 0 | 113 | |||||
| 473 | N | 24.5 | Very low | 25.3 | Very low | 61 Ų | 61 | 116.1 Ų | 116.1 | 33% | 0.326 | 67% | 0.667 | S | S | . | * | trans | -10.4 | 138.2 | 148 | -35.6 | -29.1 | 0 | 0 | 0 | 117.1 | L1350 | N473-L1350 VanDerWaalsContact ND2-CD1 3.34Å; N473-L1350 WeakPolarHBondContact ND2-CD1 3.35Å | ||
| 474 | S | 25.9 | Very low | 25.8 | Very low | 120 Ų | 120 | 116.3 Ų | 116.3 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | trans | -174.7 | 87.8 | 132.6 | 28.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 475 | T | 36.5 | Very low | 25.8 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 76% | 0.761 | 67% | 0.672 | S | S | * | * | trans | -60.9 | 165.7 | 136.2 | 36.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 476 | P | 31.5 | Very low | 25.8 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | cis | -147.4 | -155.9 | 30.9 | 38.3 | -13.5 | 0 | 0 | 0 | 115.8 | ||||
| 477 | A | 24.6 | Very low | 25.7 | Very low | 80 Ų | 80 | 116.5 Ų | 116.5 | 66% | 0.661 | 67% | 0.667 | S | S | * | * | trans | 96.3 | 92.5 | 142 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 478 | S | 23.2 | Very low | 25.6 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | 96.7 | 134.4 | 104.4 | 81.5 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 479 | K | 23.9 | Very low | 25.5 | Very low | 152 Ų | 152 | 117.4 Ų | 117.4 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | trans | 74.5 | 111.6 | 131.6 | -75.2 | 171.9 | -177 | 176 | 0 | 123.4 | ||||
| 480 | Q | 23.6 | Very low | 25.5 | Very low | 86 Ų | 86 | 120.3 Ų | 120.3 | 40% | 0.402 | 68% | 0.675 | S | S | . | * | 94.3 | 129.6 | 110.4 | -79.5 | 176.2 | -6.8 | 0 | 0 | 124.8 | |||||
| 481 | H | 23.6 | Very low | 25.4 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 46% | 0.463 | 68% | 0.681 | S | S | . | * | 92.5 | 126.3 | 128.3 | -79.7 | -50.1 | 0 | 0 | 0 | 125.3 | T498 | H481-T498 PolarHBondContact CD2-N 3.13Å; H481-T498 VanDerWaalsContact CD2-N 3.29Å; H481-T498 WeakPolarHBondContact NE2-CA 3.26Å; H481-T498 PolarHBondContact NE2-N 3.48Å | |||
| 482 | I | 23.7 | Very low | 25.3 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 81% | 0.805 | 69% | 0.693 | S | S | * | * | trans | 88.6 | 160.7 | 131.8 | -71.5 | 167.6 | 0 | 0 | 0 | 119.4 | ||||
| 483 | C | 28.2 | Very low | 25.4 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | trans | -121.9 | -125 | -158.1 | -166.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 484 | P | 33.5 | Very low | 25.6 | Very low | 109 Ų | 109 | 125 Ų | 125 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | trans | -59.6 | 156.1 | -150.2 | 31.1 | -39.4 | 0 | 0 | 0 | 115.8 | ||||
| 485 | P | 23.4 | Very low | 25.6 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | cis | -138 | -101.1 | 42.9 | 38.4 | -17.4 | 0 | 0 | 0 | 118.3 | ||||
| 486 | S | 22.7 | Very low | 25.3 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -151.3 | 169.5 | -157.2 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 487 | L | 22.4 | Very low | 25.2 | Very low | 145 Ų | 145 | 120.9 Ų | 120.9 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | trans | 74.7 | 140 | 161.4 | -83.2 | 150.9 | 0 | 0 | 0 | 119.2 | ||||
| 488 | Q | 22.9 | Very low | 25.5 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | 66.5 | 129.5 | 150.2 | -77.5 | 163.1 | -40.4 | 0 | 0 | 121.2 | ||||
| 489 | Q | 22.6 | Very low | 25.7 | Very low | 149 Ų | 149 | 120.8 Ų | 120.8 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | trans | 45.8 | 120 | 131.2 | -62.3 | 169.4 | -28.7 | 0 | 0 | 119.9 | ||||
| 490 | Q | 23.1 | Very low | 25.8 | Very low | 165 Ų | 165 | 121.3 Ų | 121.3 | 77% | 0.771 | 70% | 0.695 | S | S | * | * | trans | 60.2 | 122.9 | 134.8 | -61.9 | 173.5 | -45.4 | 0 | 0 | 119.5 | ||||
| 491 | T | 23.9 | Very low | 25.9 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | trans | 70.6 | 126.9 | 146.9 | 53.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 492 | S | 23.7 | Very low | 26 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | 73.4 | 120 | 141.1 | 50.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 493 | V | 25.5 | Very low | 26.1 | Very low | 129 Ų | 129 | 121.4 Ų | 121.4 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | 92 | 111.5 | 124.2 | 172 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 494 | H | 28.5 | Very low | 26.1 | Very low | 174 Ų | 174 | 122.3 Ų | 122.3 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | trans | 62.3 | 132.6 | 139.8 | -80 | -49.3 | 0 | 0 | 0 | 128.8 | ||||
| 495 | V | 27.5 | Very low | 25.8 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | 99.1 | 161.9 | 132.2 | 168 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 496 | T | 28.7 | Very low | 25.8 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | trans | -115.8 | 171.2 | -141.2 | 55.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 497 | G | 29.9 | Very low | 25.8 | Very low | 37 Ų | 37 | 125 Ų | 125 | 38% | 0.381 | 72% | 0.721 | S | S | . | * | trans | 139.1 | 111.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 498 | T | 30.6 | Very low | 25.8 | Very low | 97 Ų | 97 | 124 Ų | 124 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | trans | 58.3 | 169.2 | 144.4 | 49.3 | 0 | 0 | 0 | 0 | 123.5 | H481 | H481-T498 PolarHBondContact CD2-N 3.13Å; H481-T498 VanDerWaalsContact CD2-N 3.29Å; H481-T498 WeakPolarHBondContact NE2-CA 3.26Å; H481-T498 PolarHBondContact NE2-N 3.48Å | ||
| 499 | A | 28 | Very low | 25.8 | Very low | 81 Ų | 81 | 123.8 Ų | 123.8 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | cis | -175.9 | -172.8 | -35.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 500 | I | 25.7 | Very low | 25.9 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | 102.6 | 179.7 | 158.2 | -68.3 | 171.7 | 0 | 0 | 0 | 119.8 | ||||
| 501 | T | 25.8 | Very low | 26 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | trans | -144.2 | 169.2 | -132 | 63.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 502 | S | 25.7 | Very low | 26 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | 75.4 | 154 | 143.7 | 59.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 503 | T | 26.6 | Very low | 26.1 | Very low | 135 Ų | 135 | 120.7 Ų | 120.7 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | cis | -153 | -172 | 9.1 | -15.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 504 | N | 27.8 | Very low | 26.1 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -101.1 | 167.8 | -164.1 | -60.6 | -21.8 | 0 | 0 | 0 | 118 | ||||
| 505 | N | 26.2 | Very low | 26 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | 109.7 | 149.6 | 132 | -93.3 | -2.1 | 0 | 0 | 0 | 123.6 | ||||
| 506 | T | 24.5 | Very low | 26 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | trans | 77.1 | 120.8 | 155.8 | 36.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 507 | T | 23.3 | Very low | 25.8 | Very low | 120 Ų | 120 | 124 Ų | 124 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | 71.3 | 125.4 | 135.7 | 52.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 508 | V | 22.2 | Very low | 25.6 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | 83 | 121.8 | 129.1 | 170.1 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 509 | L | 22.5 | Very low | 25.3 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 66.6 | 141.9 | 157.4 | -72.3 | 165.3 | 0 | 0 | 0 | 121.8 | ||||
| 510 | D | 23.5 | Very low | 25.3 | Very low | 130 Ų | 130 | 130 Ų | 130 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | 59.6 | 134.9 | 149.2 | -60.5 | -17.4 | 0 | 0 | 0 | 124.6 | ||||
| 511 | E | 25.2 | Very low | 25.2 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | 27.9 | 139.2 | 137.1 | -46.7 | -157.8 | 139.6 | 0 | 0 | 120.1 | ||||
| 512 | S | 24 | Very low | 25.3 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | -175.7 | 165.8 | 53.6 | 47.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 513 | A | 25.5 | Very low | 25.3 | Very low | 70 Ų | 70 | 132 Ų | 132 | 58% | 0.579 | 73% | 0.732 | S | S | * | * | trans | 37.8 | 108.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 514 | K | 26.4 | Very low | 25.2 | Very low | 186 Ų | 186 | 133 Ų | 133 | 81% | 0.809 | 73% | 0.727 | S | S | * | * | -164.7 | 164.1 | 60.8 | -68.4 | 112.8 | -151.7 | 153.9 | 0 | 109.8 | |||||
| 515 | I | 26.4 | Very low | 25 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | S | Bend | cis | -163.2 | 157.1 | -13.5 | -105.4 | 168.5 | 0 | 0 | 0 | 105.2 | ||
| 516 | C | 27.4 | Very low | 24.9 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | cis | -113.4 | 161.8 | 2 | -161.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 517 | N | 24.1 | Very low | 24.9 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | -80.7 | 132.5 | -173.9 | -97.9 | -30.9 | 0 | 0 | 0 | 113.7 | ||||
| 518 | L | 27.2 | Very low | 24.9 | Very low | 120 Ų | 120 | 133 Ų | 133 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | 32.1 | 107.9 | 107.2 | -167.7 | 82.8 | 0 | 0 | 0 | 117.4 | L520 | L518-L520 HydrophobicContact CD1-CD1 4.1Å; L518-L520 HydrophobicContact CD1-CD2 4.5Å; L518-L520 HydrophobicContact CD1-CG 3.92Å; L518-L520 HydrophobicContact CD2-CD1 3.74Å; L518-L520 HydrophobicContact CD2-CG 4.45Å; L518-L520 HydrophobicContact CG-CD1 3.74Å; L518-L520 HydrophobicContact CG-CG 3.93Å | |||
| 519 | C | 23.4 | Very low | 25 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 69% | 0.689 | 72% | 0.724 | S | S | * | * | -152.6 | 123.4 | 124.2 | -93.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 520 | L | 28.5 | Very low | 25.1 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 63% | 0.634 | 73% | 0.725 | S | S | * | * | 72.9 | 152.3 | 51.5 | -70.8 | 172.3 | 0 | 0 | 0 | 114.5 | L518 | L518-L520 HydrophobicContact CD1-CD1 4.1Å; L518-L520 HydrophobicContact CD1-CD2 4.5Å; L518-L520 HydrophobicContact CD1-CG 3.92Å; L518-L520 HydrophobicContact CD2-CD1 3.74Å; L518-L520 HydrophobicContact CD2-CG 4.45Å; L518-L520 HydrophobicContact CG-CD1 3.74Å; L518-L520 HydrophobicContact CG-CG 3.93Å | |||
| 521 | R | 24 | Very low | 25.3 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 73% | 0.725 | 72% | 0.723 | S | S | * | * | trans | 95.9 | 126.8 | 160.5 | -55.6 | -167.6 | -167 | -141.8 | -1.5 | 115 | ||||
| 522 | N | 26.4 | Very low | 25.4 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | cis | -139.1 | 150.3 | 13 | -77.1 | -61.9 | 0 | 0 | 0 | 113.4 | ||||
| 523 | C | 25.6 | Very low | 25.8 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | -82 | 149.6 | 147.1 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 524 | H | 25.2 | Very low | 26.2 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | -111.5 | 147 | 127.8 | -73.3 | -101.5 | 0 | 0 | 0 | 104.5 | |||||
| 525 | V | 24.3 | Very low | 26.5 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | S | Bend | cis | -121.6 | 140.4 | 34 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 526 | E | 22.8 | Very low | 26.9 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | 36 | 142.7 | 153.3 | -60.1 | 164.9 | 170.9 | 0 | 0 | 121.1 | ||||
| 527 | T | 25 | Very low | 27.2 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | cis | -154.2 | 145.5 | 20.2 | -22.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 528 | T | 22.8 | Very low | 27.6 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | trans | 65.1 | 131.8 | 149.8 | 31.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 529 | I | 24.8 | Very low | 27.6 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | trans | 89.8 | 101 | 143.9 | -63.7 | 160.3 | 0 | 0 | 0 | 120.8 | ||||
| 530 | N | 24.9 | Very low | 27.7 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | trans | 53 | 145.6 | 133.9 | -57.1 | -9.3 | 0 | 0 | 0 | 122.9 | ||||
| 531 | S | 27.3 | Very low | 27.7 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | cis | -173.6 | 149.1 | -9.9 | 46.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 532 | S | 28 | Very low | 27.9 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | 62.7 | 158.2 | 156.9 | 50.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 533 | N | 31.9 | Very low | 28.2 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | cis | -174.7 | 175.9 | -14.4 | -92.6 | -9.1 | 0 | 0 | 0 | 108.2 | ||||
| 534 | H | 33.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 64% | 0.644 | 73% | 0.734 | S | S | * | * | cis | -165.2 | 149.7 | -11.4 | -115.4 | -52.8 | 0 | 0 | 0 | 111.3 | ||||
| 535 | N | 34.1 | Very low | 28.6 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | 60.7 | 152.9 | 146.1 | -51.7 | -16.1 | 0 | 0 | 0 | 122.9 | ||||
| 536 | G | 33.5 | Very low | 28.8 | Very low | 65 Ų | 65 | 124.7 Ų | 124.7 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | cis | 163.8 | 167.8 | -12 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 537 | N | 33.9 | Very low | 28.9 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | 76.8 | 155.3 | 153.6 | -61 | 6.3 | 0 | 0 | 0 | 120.9 | ||||
| 538 | N | 33.8 | Very low | 28.9 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | cis | -168.2 | -177.5 | -11.4 | -97.5 | 4.1 | 0 | 0 | 0 | 110.6 | ||||
| 539 | L | 25.5 | Very low | 29 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | -168 | 115.4 | -50.4 | -89.8 | 177.5 | 0 | 0 | 0 | 113.6 | |||||
| 540 | I | 26.8 | Very low | 28.9 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | trans | 68.7 | 165.4 | 136.1 | -53.3 | -178.8 | 0 | 0 | 0 | 122.7 | ||||
| 541 | V | 28.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | trans | 94.8 | 130.3 | 166.3 | -173 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 542 | D | 27.3 | Very low | 29 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | cis | 103.1 | 140.3 | -2.3 | -164.5 | 47.6 | 0 | 0 | 0 | 121.5 | ||||
| 543 | S | 32.5 | Very low | 28.7 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 161.9 | 125.9 | 146 | 45.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 544 | G | 30.5 | Very low | 28.3 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | 86.5 | 143.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 545 | G | 29.6 | Very low | 27.7 | Very low | 80 Ų | 80 | 127.3 Ų | 127.3 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -171.6 | -74.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 546 | N | 27.8 | Very low | 27.2 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | 80.5 | 131.2 | 174 | -117.6 | -6.1 | 0 | 0 | 0 | 122 | ||||
| 547 | I | 25.4 | Very low | 26.7 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | trans | 93 | 115.1 | 145.6 | -63.6 | 165.5 | 0 | 0 | 0 | 122.2 | ||||
| 548 | N | 24.5 | Very low | 26.2 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 60 | 100.4 | 155.6 | -65.2 | -12.8 | 0 | 0 | 0 | 119.2 | ||
| 549 | L | 23.8 | Very low | 25.8 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | -169.4 | 104.6 | 53.4 | -104.6 | 161.3 | 0 | 0 | 0 | 112.2 | D551 | L549-D551 PolarHBondContact O-N 2.68Š| |||
| 550 | I | 24.6 | Very low | 26 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | trans | 15.6 | 84.3 | 158 | -46.8 | 177.2 | 0 | 0 | 0 | 115 | ||||
| 551 | D | 23.9 | Very low | 26.1 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | 61.9 | 121.4 | 73.4 | -68.8 | -50.6 | 0 | 0 | 0 | 116.8 | L549 | L549-D551 PolarHBondContact O-N 2.68Š| |||
| 552 | P | 29.3 | Very low | 26 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | trans | -107.5 | -167.7 | 161.8 | 29.8 | -12.3 | 0 | 0 | 0 | 112.3 | ||||
| 553 | I | 22.2 | Very low | 26 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | 77 | 158 | 163.8 | -31.5 | 178.2 | 0 | 0 | 0 | 115.8 | ||||
| 554 | L | 23.2 | Very low | 25.7 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | trans | 82 | 102.2 | 161 | -80.6 | 119.5 | 0 | 0 | 0 | 121.3 | ||||
| 555 | V | 21.6 | Very low | 25.7 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 54% | 0.539 | 72% | 0.718 | S | S | . | * | 75.1 | 116.2 | 109.1 | 165.1 | 0 | 0 | 0 | 0 | 121.1 | K1893 | V555-K1893 HydrophobicContact CG2-CD 3.91Š| |||
| 556 | C | 21.8 | Very low | 25.6 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 56% | 0.561 | 71% | 0.713 | S | S | * | * | trans | 67.3 | 163.5 | 143.2 | -72.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 557 | Q | 23.8 | Very low | 25.6 | Very low | 183 Ų | 183 | 129 Ų | 129 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | 71 | 144.9 | 162.1 | -71.8 | 166.1 | -5.2 | 0 | 0 | 117.9 | ||||
| 558 | S | 24.1 | Very low | 25.7 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | cis | -174.4 | 162.9 | -17.6 | 51.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 559 | V | 24.7 | Very low | 25.8 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | 79.4 | 108.3 | 144.6 | 161.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 560 | L | 29.9 | Very low | 26 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | -68 | 162.6 | 150.5 | -77 | 160.4 | 0 | 0 | 0 | 110.3 | ||||
| 561 | P | 29.5 | Very low | 26 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | -148 | 139.5 | 83.5 | 35.7 | -16 | 0 | 0 | 0 | 117.1 | |||||
| 562 | D | 26.6 | Very low | 26.2 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 57% | 0.572 | 70% | 0.697 | S | S | * | * | 37.6 | 135.2 | 105.6 | -29.8 | -32.2 | 0 | 0 | 0 | 119.6 | |||||
| 563 | Y | 26.5 | Very low | 26 | Very low | 193 Ų | 193 | 124 Ų | 124 | 76% | 0.757 | 70% | 0.698 | S | S | * | * | 176.5 | 112.3 | 108.9 | -107.5 | -83.2 | 0 | 0 | 0 | 110.8 | |||||
| 564 | D | 27.3 | Very low | 26.2 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 63% | 0.631 | 70% | 0.696 | S | S | * | * | 40.7 | 160.9 | 125.9 | -41.3 | -17.9 | 0 | 0 | 0 | 119.8 | |||||
| 565 | D | 28.7 | Very low | 26.2 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | cis | -163 | 158.9 | 30.5 | -134.2 | -22.9 | 0 | 0 | 0 | 115.3 | ||||
| 566 | D | 27.6 | Very low | 26.4 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | trans | 49.6 | 131 | 145.4 | -102.8 | -14 | 0 | 0 | 0 | 129 | ||||
| 567 | S | 28.4 | Very low | 26.5 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | 99.7 | 124.8 | 126.2 | 76 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 568 | N | 26.8 | Very low | 26.6 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | 49.7 | 151.1 | 134.7 | -50.9 | -13.7 | 0 | 0 | 0 | 121.6 | ||||
| 569 | D | 27.9 | Very low | 26.6 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | cis | -149.9 | 176.2 | 7.4 | -145.6 | -55.7 | 0 | 0 | 0 | 112.2 | ||||
| 570 | S | 26.7 | Very low | 26.7 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | trans | -29 | 151.3 | 173.6 | 48.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 571 | G | 26 | Very low | 26.5 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | 153.4 | 111.1 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 572 | I | 26.7 | Very low | 26.3 | Very low | 134 Ų | 134 | 128 Ų | 128 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | 70.2 | 93.8 | 145.2 | -48.6 | 176.2 | 0 | 0 | 0 | 119.2 | ||||
| 573 | N | 25.6 | Very low | 26.5 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | 47.3 | 146.5 | 124.4 | -61.8 | 18.3 | 0 | 0 | 0 | 124.6 | |||||
| 574 | N | 26 | Very low | 26.8 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | trans | 92.1 | 123.8 | 151.6 | -70.6 | 5.7 | 0 | 0 | 0 | 121.7 | ||||
| 575 | E | 23.9 | Very low | 27 | Very low | 170 Ų | 170 | 117.2 Ų | 117.2 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | trans | 54 | 97.2 | 146.1 | -59.8 | -170.3 | 175.3 | 0 | 0 | 121 | ||||
| 576 | K | 25.5 | Very low | 27.2 | Very low | 155 Ų | 155 | 117 Ų | 117 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | -166 | 110.4 | 124.1 | -97.6 | 139.2 | -165.5 | 171.5 | 0 | 113.3 | D621 | K576-D621 IonicContact NZ-OD1 2.64Å; K576-D621 PolarHBondContact NZ-OD1 3.09Å | |||
| 577 | K | 23.6 | Very low | 27.6 | Very low | 205 Ų | 205 | 115.1 Ų | 115.1 | 89% | 0.891 | 64% | 0.644 | S | S | * | * | 22.3 | 118 | 125.2 | -60.6 | 175.8 | 177 | 178 | 0 | 118.6 | |||||
| 578 | A | 27.4 | Very low | 27.9 | Very low | 97 Ų | 97 | 113.1 Ų | 113.1 | 80% | 0.802 | 63% | 0.628 | S | S | * | * | trans | -164.7 | 53.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F580 | A578-F580 PolarHBondContact O-N 2.91Å; A578-F580 VanDerWaalsContact O-N 3.16Å | ||
| 579 | T | 23.1 | Very low | 28.4 | Very low | 70 Ų | 70 | 107.8 Ų | 107.8 | 43% | 0.429 | 60% | 0.602 | S | S | . | * | trans | -85.3 | 80.2 | -179.4 | -33.8 | 0 | 0 | 0 | 0 | 113.3 | Y697 | T579-Y697 HydrophobicContact CG2-CD2 4.41Å; T579-Y697 HydrophobicContact CG2-CE2 3.83Å | ||
| 580 | F | 26.3 | Very low | 28.9 | Very low | 158 Ų | 158 | 101.8 Ų | 101.8 | 69% | 0.693 | 57% | 0.571 | S | S | * | * | trans | -139.7 | 107.8 | 170.2 | -94.3 | -86.7 | 0 | 0 | 0 | 108.8 | A578 T588 | A578-F580 PolarHBondContact O-N 2.91Å; A578-F580 VanDerWaalsContact O-N 3.16Å; F580-T588 HydrophobicContact CB-CG2 4.15Å; F580-T588 HydrophobicContact CD1-CG2 4.21Å; F580-T588 HydrophobicContact CG-CG2 4.32Å | ||
| 581 | I | 26 | Very low | 29.5 | Very low | 102 Ų | 102 | 96.9 Ų | 96.9 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | cis | 66.6 | 133.1 | 38.9 | -58.2 | -160.4 | 0 | 0 | 0 | 114 | Y697 | I581-Y697 HydrophobicContact CD1-CD2 3.97Å; I581-Y697 HydrophobicContact CD1-CE2 3.46Å; I581-Y697 VanDerWaalsContact CD1-CE2 3.46Å; I581-Y697 HydrophobicContact CG1-CE2 4.47Å | ||
| 582 | C | 25.3 | Very low | 30.2 | Very low | 89 Ų | 89 | 99.5 Ų | 99.5 | 60% | 0.601 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 61.7 | 159.2 | -166.6 | -141.6 | 0 | 0 | 0 | 0 | 109.7 | A584 | C582-A584 VanDerWaalsContact C-CA 3.46Å; C582-A584 HydrophobicContact CB-CB 3.46Å; C582-A584 VanDerWaalsContact CB-CB 3.46Å |
| 583 | G | 30.7 | Very low | 30.9 | Very low | 63 Ų | 63 | 97.5 Ų | 97.5 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | S | Bend | cis | 80.3 | 0.4 | 16.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | I585 | G583-I585 VanDerWaalsContact C-N 3.32Å; G583-I585 VanDerWaalsContact CA-N 3.29Å |
| 584 | A | 34.1 | Very low | 31.9 | Very low | 13 Ų | 13 | 93.5 Ų | 93.5 | 11% | 0.107 | 49% | 0.493 | C | S | . | . | cis | 47.4 | -23 | 18.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | C582 F586 H587 T588 S589 | C582-A584 VanDerWaalsContact C-CA 3.46Å; C582-A584 HydrophobicContact CB-CB 3.46Å; C582-A584 VanDerWaalsContact CB-CB 3.46Å; A584-F586 CarbonylContact O-C 3.51Å; A584-F586 PolarHBondContact O-N 3.18Å; A584-H587 HydrophobicContact CB-CB 3.77Å; A584-H587 CarbonylContact O-C 3.57Å; A584-H587 VanDerWaalsContact O-C 3.28Å; A584-H587 PolarHBondContact O-N 3.37Å; A584-T588 HydrophobicContact CB-CG2 4.1Å; A584-T588 WeakPolarHBondContact CB-OG1 2.99Å; A584-T588 CarbonylContact O-C 3.58Å; A584-T588 WeakPolarHBondContact O-CA 3.46Å; A584-T588 PolarHBondContact O-N 2.96Å; A584-T588 PolarHBondContact O-OG1 3.44Å; A584-S589 PolarHBondContact O-N 2.71Å | ||
| 585 | I | 31.3 | Very low | 32.6 | Very low | 116 Ų | 116 | 89.8 Ų | 89.8 | 60% | 0.595 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 11.5 | 166 | -62.9 | 162.9 | 0 | 0 | 0 | 110.3 | G583 S589 | G583-I585 VanDerWaalsContact C-N 3.32Å; G583-I585 VanDerWaalsContact CA-N 3.29Å; I585-S589 VanDerWaalsContact CA-OG 3.32Å; I585-S589 WeakPolarHBondContact CA-OG 3.31Å; I585-S589 WeakPolarHBondContact O-CB 3.31Å; I585-S589 PolarHBondContact O-OG 2.93Å |
| 586 | F | 31.4 | Very low | 33.3 | Very low | 131 Ų | 131 | 86.1 Ų | 86.1 | 58% | 0.575 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | -33.4 | 153.9 | -116.5 | -96.7 | 0 | 0 | 0 | 112.9 | A584 C590 V609 | A584-F586 CarbonylContact O-C 3.51Å; A584-F586 PolarHBondContact O-N 3.18Å; F586-C590 VanDerWaalsContact O-CB 3.25Å; F586-C590 WeakPolarHBondContact O-CB 3.27Å; F586-C590 PolarHBondContact O-N 2.74Å; F586-V609 HydrophobicContact CD1-CG1 3.92Å; F586-V609 HydrophobicContact CE1-CG1 3.89Å |
| 587 | H | 36.5 | Very low | 33.8 | Very low | 94 Ų | 94 | 83.5 Ų | 83.5 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.2 | -83.5 | 171.6 | -122.8 | -139.4 | 0 | 0 | 0 | 111.4 | A584 S589 C590 C591 C610 C612 | A584-H587 HydrophobicContact CB-CB 3.77Å; A584-H587 CarbonylContact O-C 3.57Å; A584-H587 VanDerWaalsContact O-C 3.28Å; A584-H587 PolarHBondContact O-N 3.37Å; H587-S589 PolarHBondContact O-N 3.44Å; H587-C590 PolarHBondContact O-N 2.9Å; H587-C591 WeakPolarHBondContact O-CB 3.26Å; H587-C591 PolarHBondContact O-N 2.77Å; H587-C591 PolarHBondContact O-SG 2.81Å; H587-C610 VanDerWaalsContact CD2-CB 3.44Å; H587-C610 WeakPolarHBondContact CD2-CB 3.45Å; H587-C612 PolarHBondContact CE1-SG 3.01Å |
| 588 | T | 35.1 | Very low | 34.5 | Very low | 47 Ų | 47 | 76.3 Ų | 76.3 | 29% | 0.288 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -52 | -27.4 | 173.4 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | F580 A584 K592 | F580-T588 HydrophobicContact CB-CG2 4.15Å; F580-T588 HydrophobicContact CD1-CG2 4.21Å; F580-T588 HydrophobicContact CG-CG2 4.32Å; A584-T588 HydrophobicContact CB-CG2 4.1Å; A584-T588 WeakPolarHBondContact CB-OG1 2.99Å; A584-T588 CarbonylContact O-C 3.58Å; A584-T588 WeakPolarHBondContact O-CA 3.46Å; A584-T588 PolarHBondContact O-N 2.96Å; A584-T588 PolarHBondContact O-OG1 3.44Å; T588-K592 WeakPolarHBondContact O-CA 3.41Å; T588-K592 WeakPolarHBondContact O-CB 3.4Å; T588-K592 PolarHBondContact O-N 3.11Å |
| 589 | S | 37.4 | Very low | 34.8 | Very low | 37 Ų | 37 | 78.8 Ų | 78.8 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.8 | -46.8 | 171.7 | -59 | 0 | 0 | 0 | 0 | 114.9 | A584 I585 H587 I593 | A584-S589 PolarHBondContact O-N 2.71Å; I585-S589 VanDerWaalsContact CA-OG 3.32Å; I585-S589 WeakPolarHBondContact CA-OG 3.31Å; I585-S589 WeakPolarHBondContact O-CB 3.31Å; I585-S589 PolarHBondContact O-OG 2.93Å; H587-S589 PolarHBondContact O-N 3.44Å; S589-I593 WeakPolarHBondContact O-CB 3.45Å; S589-I593 WeakPolarHBondContact O-CD1 3.49Å; S589-I593 WeakPolarHBondContact O-CG1 3.4Å; S589-I593 PolarHBondContact O-N 3.2Å |
| 590 | C | 37.6 | Very low | 35.3 | Very low | 14 Ų | 14 | 79.5 Ų | 79.5 | 10% | 0.095 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -71.8 | -43.6 | 173 | 106.8 | 0 | 0 | 0 | 0 | 111 | F586 H587 K592 I593 W594 C607 V609 C610 | F586-C590 VanDerWaalsContact O-CB 3.25Å; F586-C590 WeakPolarHBondContact O-CB 3.27Å; F586-C590 PolarHBondContact O-N 2.74Å; H587-C590 PolarHBondContact O-N 2.9Å; C590-K592 PolarHBondContact O-N 2.69Å; C590-I593 PolarHBondContact O-N 2.86Å; C590-W594 WeakPolarHBondContact O-CA 2.98Å; C590-W594 WeakPolarHBondContact O-CB 3.35Å; C590-W594 PolarHBondContact O-N 3.48Å; C590-C607 WeakPolarHBondContact CB-SG 3.46Å; C590-C607 PolarHBondContact O-SG 3.2Å; C590-C607 VanDerWaalsContact O-SG 3.39Å; C590-C607 WeakPolarHBondContact SG-CB 3.5Å; C590-C607 CovalentContact SG-SG 2.07Å; C590-C607 PolarHBondContact SG-SG 3.4Å; C590-V609 HydrophobicContact CB-CB 3.68Å; C590-V609 HydrophobicContact CB-CG1 3.75Å; C590-V609 VanDerWaalsContact SG-CB 3.6Å; C590-C610 WeakPolarHBondContact SG-CB 3.28Å; C590-C610 PolarHBondContact SG-N 3.49Å; C590-C610 PolarHBondContact SG-SG 3.44Å |
| 591 | C | 40.5 | Very low | 35.6 | Very low | 7 Ų | 7 | 79.3 Ų | 79.3 | 5% | 0.047 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.8 | -22.6 | -175.2 | -30.7 | 0 | 0 | 0 | 0 | 109.7 | H587 L595 C607 C610 | H587-C591 WeakPolarHBondContact O-CB 3.26Å; H587-C591 PolarHBondContact O-N 2.77Å; H587-C591 PolarHBondContact O-SG 2.81Å; C591-L595 WeakPolarHBondContact O-CB 3.47Å; C591-L595 WeakPolarHBondContact O-CD1 3.35Å; C591-L595 VanDerWaalsContact O-CG 3.28Å; C591-L595 WeakPolarHBondContact O-CG 3.5Å; C591-L595 PolarHBondContact O-N 3.3Å; C591-C607 HydrophobicContact CB-CB 4.44Å; C591-C610 WeakPolarHBondContact CB-SG 3.02Å; C591-C610 WeakPolarHBondContact SG-CB 3.29Å; C591-C610 CovalentContact SG-SG 2.06Å; C591-C610 PolarHBondContact SG-SG 2.94Å |
| 592 | K | 41.1 | Very low | 35.8 | Very low | 124 Ų | 124 | 77.3 Ų | 77.3 | 54% | 0.539 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -79.9 | -47.1 | 167.4 | -177.6 | 173.5 | 168.8 | 174.1 | 0 | 113.5 | T588 C590 W594 L595 E596 | T588-K592 WeakPolarHBondContact O-CA 3.41Å; T588-K592 WeakPolarHBondContact O-CB 3.4Å; T588-K592 PolarHBondContact O-N 3.11Å; C590-K592 PolarHBondContact O-N 2.69Å; K592-W594 PolarHBondContact O-N 3.12Å; K592-L595 CarbonylContact O-C 3.54Å; K592-L595 WeakPolarHBondContact O-CA 3.12Å; K592-L595 WeakPolarHBondContact O-CB 3.36Å; K592-L595 PolarHBondContact O-N 3.35Å; K592-E596 WeakPolarHBondContact CE-OE1 3.25Å; K592-E596 HydrophobicContact CG-CG 4.4Å; K592-E596 IonicContact NZ-OE1 3.89Å; K592-E596 WeakPolarHBondContact O-CB 3.25Å; K592-E596 WeakPolarHBondContact O-CG 3.41Å; K592-E596 PolarHBondContact O-N 2.99Å |
| 593 | I | 41.3 | Very low | 36.2 | Very low | 92 Ų | 92 | 79.1 Ų | 79.1 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.2 | -37.5 | 174 | -71.5 | 166.2 | 0 | 0 | 0 | 109.8 | S589 C590 E596 E597 | S589-I593 WeakPolarHBondContact O-CB 3.45Å; S589-I593 WeakPolarHBondContact O-CD1 3.49Å; S589-I593 WeakPolarHBondContact O-CG1 3.4Å; S589-I593 PolarHBondContact O-N 3.2Å; C590-I593 PolarHBondContact O-N 2.86Å; I593-E596 CarbonylContact O-C 3.41Å; I593-E596 PolarHBondContact O-N 3.12Å; I593-E597 HydrophobicContact CG2-CG 4.42Å; I593-E597 WeakPolarHBondContact O-CB 3.1Å; I593-E597 WeakPolarHBondContact O-CG 3.26Å; I593-E597 PolarHBondContact O-N 2.87Å |
| 594 | W | 46.6 | Very low | 36.8 | Very low | 47 Ų | 47 | 79 Ų | 79 | 18% | 0.178 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -74.9 | -28.7 | 174.2 | -168.4 | -106.6 | 0 | 0 | 0 | 113.4 | C590 K592 E596 E597 I598 D603 S604 Q606 C607 P608 | C590-W594 WeakPolarHBondContact O-CA 2.98Å; C590-W594 WeakPolarHBondContact O-CB 3.35Å; C590-W594 PolarHBondContact O-N 3.48Å; K592-W594 PolarHBondContact O-N 3.12Å; W594-E596 VanDerWaalsContact C-N 3.34Å; W594-E597 HydrophobicContact CE3-CB 4.2Å; W594-I598 HydrophobicContact CG-CD1 4.28Å; W594-I598 HydrophobicContact CG-CG1 4.48Å; W594-I598 WeakPolarHBondContact O-CB 3.3Å; W594-I598 WeakPolarHBondContact O-CD1 3.49Å; W594-I598 WeakPolarHBondContact O-CG1 3.32Å; W594-I598 PolarHBondContact O-N 3.12Å; W594-D603 VanDerWaalsContact CZ2-O 3.26Å; W594-D603 WeakPolarHBondContact CZ2-O 3.34Å; W594-S604 PolarHBondContact NE1-O 3.27Å; W594-Q606 PolarHBondContact NE1-O 3.43Å; W594-C607 HydrophobicContact CB-CB 4.01Å; W594-C607 VanDerWaalsContact CD1-CA 3.42Å; W594-C607 HydrophobicContact CG-CB 4Å; W594-P608 HydrophobicContact CD2-CG 4.08Å; W594-P608 VanDerWaalsContact CE2-CD 3.45Å; W594-P608 HydrophobicContact CE3-CG 3.77Å; W594-P608 HydrophobicContact CH2-CG 4.12Å; W594-P608 HydrophobicContact CZ2-CG 4.39Å; W594-P608 HydrophobicContact CZ3-CG 3.79Å |
| 595 | L | 40.8 | Very low | 37.2 | Very low | 54 Ų | 54 | 82.2 Ų | 82.2 | 28% | 0.283 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 166.2 | -89.9 | 159.7 | 0 | 0 | 0 | 111 | C591 K592 Q599 W614 | C591-L595 WeakPolarHBondContact O-CB 3.47Å; C591-L595 WeakPolarHBondContact O-CD1 3.35Å; C591-L595 VanDerWaalsContact O-CG 3.28Å; C591-L595 WeakPolarHBondContact O-CG 3.5Å; C591-L595 PolarHBondContact O-N 3.3Å; K592-L595 CarbonylContact O-C 3.54Å; K592-L595 WeakPolarHBondContact O-CA 3.12Å; K592-L595 WeakPolarHBondContact O-CB 3.36Å; K592-L595 PolarHBondContact O-N 3.35Å; L595-Q599 WeakPolarHBondContact O-CB 3.43Å; L595-Q599 WeakPolarHBondContact O-CG 3.41Å; L595-Q599 PolarHBondContact O-N 2.68Å; L595-W614 HydrophobicContact CD1-CD2 4.24Å; L595-W614 HydrophobicContact CD1-CE3 4.23Å; L595-W614 HydrophobicContact CD1-CH2 4.47Å; L595-W614 HydrophobicContact CD1-CZ2 4.47Å; L595-W614 HydrophobicContact CD1-CZ3 4.34Å |
| 596 | E | 38.4 | Very low | 37.9 | Very low | 94 Ų | 94 | 80.4 Ų | 80.4 | 44% | 0.439 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.3 | -34.8 | 177.1 | -69.2 | 166.1 | 167 | 0 | 0 | 111.6 | K592 I593 W594 S600 | K592-E596 WeakPolarHBondContact CE-OE1 3.25Å; K592-E596 HydrophobicContact CG-CG 4.4Å; K592-E596 IonicContact NZ-OE1 3.89Å; K592-E596 WeakPolarHBondContact O-CB 3.25Å; K592-E596 WeakPolarHBondContact O-CG 3.41Å; K592-E596 PolarHBondContact O-N 2.99Å; I593-E596 CarbonylContact O-C 3.41Å; I593-E596 PolarHBondContact O-N 3.12Å; W594-E596 VanDerWaalsContact C-N 3.34Å; E596-S600 PolarHBondContact O-N 2.88Å; E596-S600 PolarHBondContact O-OG 3.08Å |
| 597 | E | 35.7 | Very low | 38.7 | Very low | 99 Ų | 99 | 74.5 Ų | 74.5 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.3 | -38.4 | 171.4 | -72.9 | 177.7 | 146.2 | 0 | 0 | 112.2 | I593 W594 Q599 S600 D601 | I593-E597 HydrophobicContact CG2-CG 4.42Å; I593-E597 WeakPolarHBondContact O-CB 3.1Å; I593-E597 WeakPolarHBondContact O-CG 3.26Å; I593-E597 PolarHBondContact O-N 2.87Å; W594-E597 HydrophobicContact CE3-CB 4.2Å; E597-Q599 VanDerWaalsContact C-N 3.3Å; E597-Q599 PolarHBondContact O-N 3.2Å; E597-S600 WeakPolarHBondContact CA-OG 3.32Å; E597-S600 PolarHBondContact O-N 3.47Å; E597-S600 VanDerWaalsContact O-N 3.14Å; E597-S600 PolarHBondContact O-OG 3.12Å; E597-D601 PolarHBondContact O-N 2.82Å |
| 598 | I | 38.5 | Very low | 38.8 | Very low | 54 Ų | 54 | 74.5 Ų | 74.5 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 168.4 | -77 | 164.6 | 0 | 0 | 0 | 110 | W594 S600 G602 D603 | W594-I598 HydrophobicContact CG-CD1 4.28Å; W594-I598 HydrophobicContact CG-CG1 4.48Å; W594-I598 WeakPolarHBondContact O-CB 3.3Å; W594-I598 WeakPolarHBondContact O-CD1 3.49Å; W594-I598 WeakPolarHBondContact O-CG1 3.32Å; W594-I598 PolarHBondContact O-N 3.12Å; I598-S600 PolarHBondContact O-N 3.41Å; I598-S600 VanDerWaalsContact O-N 3.16Å; I598-G602 WeakPolarHBondContact O-CA 3.46Å; I598-G602 PolarHBondContact O-N 3.44Å; I598-D603 WeakPolarHBondContact CG1-O 3.26Å |
| 599 | Q | 33.4 | Very low | 38.9 | Very low | 149 Ų | 149 | 76.8 Ų | 76.8 | 70% | 0.696 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.9 | -2.6 | 178.8 | -75.4 | 169.6 | 4.5 | 0 | 0 | 113.6 | L595 E597 | L595-Q599 WeakPolarHBondContact O-CB 3.43Å; L595-Q599 WeakPolarHBondContact O-CG 3.41Å; L595-Q599 PolarHBondContact O-N 2.68Å; E597-Q599 VanDerWaalsContact C-N 3.3Å; E597-Q599 PolarHBondContact O-N 3.2Å |
| 600 | S | 33.4 | Very low | 39.3 | Very low | 86 Ų | 86 | 76.2 Ų | 76.2 | 60% | 0.601 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -122.1 | -37.2 | 176 | 43.2 | 0 | 0 | 0 | 0 | 115.2 | E596 E597 I598 | E596-S600 PolarHBondContact O-N 2.88Å; E596-S600 PolarHBondContact O-OG 3.08Å; E597-S600 WeakPolarHBondContact CA-OG 3.32Å; E597-S600 PolarHBondContact O-N 3.47Å; E597-S600 VanDerWaalsContact O-N 3.14Å; E597-S600 PolarHBondContact O-OG 3.12Å; I598-S600 PolarHBondContact O-N 3.41Å; I598-S600 VanDerWaalsContact O-N 3.16Å |
| 601 | D | 32 | Very low | 39.4 | Very low | 154 Ų | 154 | 77.6 Ų | 77.6 | 82% | 0.824 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -124.5 | -10.5 | -175.9 | -88.1 | -47 | 0 | 0 | 0 | 115.8 | E597 | E597-D601 PolarHBondContact O-N 2.82Å |
| 602 | G | 30.8 | Very low | 39.5 | Very low | 59 Ų | 59 | 79 Ų | 79 | 61% | 0.608 | 45% | 0.45 | S | S | * | . | trans | 80.1 | 19.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | I598 | I598-G602 WeakPolarHBondContact O-CA 3.46Å; I598-G602 PolarHBondContact O-N 3.44Å | ||
| 603 | D | 32.5 | Very low | 39.5 | Very low | 127 Ų | 127 | 76.9 Ų | 76.9 | 68% | 0.679 | 45% | 0.448 | S | S | * | . | trans | -97.4 | 139.2 | 176.7 | -107.6 | -36 | 0 | 0 | 0 | 113.4 | W594 I598 | W594-D603 VanDerWaalsContact CZ2-O 3.26Å; W594-D603 WeakPolarHBondContact CZ2-O 3.34Å; I598-D603 WeakPolarHBondContact CG1-O 3.26Å | ||
| 604 | S | 43.8 | Very low | 39.3 | Very low | 62 Ų | 62 | 79.8 Ų | 79.8 | 43% | 0.434 | 45% | 0.453 | S | S | . | . | trans | 39.3 | 117.8 | 166.1 | -172.3 | 0 | 0 | 0 | 0 | 119.8 | W594 Q606 | W594-S604 PolarHBondContact NE1-O 3.27Å; S604-Q606 PolarHBondContact O-N 2.78Å | ||
| 605 | P | 42.1 | Very low | 38.6 | Very low | 80 Ų | 80 | 81.9 Ų | 81.9 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -73.2 | 22.8 | 179.5 | 34.9 | -38.9 | 0 | 0 | 0 | 115.1 | W614 | P605-W614 PolarHBondContact O-N 3.46Š|
| 606 | Q | 46.4 | Very low | 38 | Very low | 78 Ų | 78 | 87.3 Ų | 87.3 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -128.2 | 113.7 | -175.4 | -170.8 | 172.1 | 28.6 | 0 | 0 | 109.7 | W594 S604 G611 C612 V613 | W594-Q606 PolarHBondContact NE1-O 3.43Å; S604-Q606 PolarHBondContact O-N 2.78Å; Q606-G611 VanDerWaalsContact CG-O 3.28Å; Q606-G611 WeakPolarHBondContact CG-O 3.48Å; Q606-G611 PolarHBondContact NE2-O 3.14Å; Q606-C612 VanDerWaalsContact CA-O 3.32Å; Q606-C612 WeakPolarHBondContact CA-O 3.43Å; Q606-V613 HydrophobicContact CB-CG2 4.29Å; Q606-V613 HydrophobicContact CG-CG2 3.92Å |
| 607 | C | 48 | Very low | 37.4 | Very low | 6 Ų | 6 | 86.9 Ų | 86.9 | 4% | 0.041 | 49% | 0.49 | C | S | . | . | trans | -62.1 | 128.3 | -175.6 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | C590 C591 W594 V609 C610 G611 C612 | C590-C607 WeakPolarHBondContact CB-SG 3.46Å; C590-C607 PolarHBondContact O-SG 3.2Å; C590-C607 VanDerWaalsContact O-SG 3.39Å; C590-C607 WeakPolarHBondContact SG-CB 3.5Å; C590-C607 CovalentContact SG-SG 2.07Å; C590-C607 PolarHBondContact SG-SG 3.4Å; C591-C607 HydrophobicContact CB-CB 4.44Å; W594-C607 HydrophobicContact CB-CB 4.01Å; W594-C607 VanDerWaalsContact CD1-CA 3.42Å; W594-C607 HydrophobicContact CG-CB 4Å; C607-V609 PolarHBondContact O-N 3.28Å; C607-V609 PolarHBondContact SG-N 2.88Å; C607-C610 HydrophobicContact CB-CB 4.24Å; C607-C610 WeakPolarHBondContact CB-SG 3.3Å; C607-C610 PolarHBondContact O-N 2.95Å; C607-G611 PolarHBondContact O-N 3.12Å; C607-C612 PolarHBondContact N-O 2.65Å | ||
| 608 | P | 40.2 | Very low | 36.9 | Very low | 95 Ų | 95 | 85.9 Ų | 85.9 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -1.1 | 178.9 | 28.7 | -36 | 0 | 0 | 0 | 113.8 | W594 | W594-P608 HydrophobicContact CD2-CG 4.08Å; W594-P608 VanDerWaalsContact CE2-CD 3.45Å; W594-P608 HydrophobicContact CE3-CG 3.77Å; W594-P608 HydrophobicContact CH2-CG 4.12Å; W594-P608 HydrophobicContact CZ2-CG 4.39Å; W594-P608 HydrophobicContact CZ3-CG 3.79Å |
| 609 | V | 35.9 | Very low | 36.3 | Very low | 95 Ų | 95 | 86.9 Ų | 86.9 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -26.8 | -179.9 | 175.5 | 0 | 0 | 0 | 0 | 113.3 | F586 C590 C607 | F586-V609 HydrophobicContact CD1-CG1 3.92Å; F586-V609 HydrophobicContact CE1-CG1 3.89Å; C590-V609 HydrophobicContact CB-CB 3.68Å; C590-V609 HydrophobicContact CB-CG1 3.75Å; C590-V609 VanDerWaalsContact SG-CB 3.6Å; C607-V609 PolarHBondContact O-N 3.28Å; C607-V609 PolarHBondContact SG-N 2.88Å |
| 610 | C | 45 | Very low | 35.8 | Very low | 24 Ų | 24 | 89.7 Ų | 89.7 | 16% | 0.162 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -21.2 | 176.6 | 69.5 | 0 | 0 | 0 | 0 | 113.6 | H587 C590 C591 C607 C612 | H587-C610 VanDerWaalsContact CD2-CB 3.44Å; H587-C610 WeakPolarHBondContact CD2-CB 3.45Å; C590-C610 WeakPolarHBondContact SG-CB 3.28Å; C590-C610 PolarHBondContact SG-N 3.49Å; C590-C610 PolarHBondContact SG-SG 3.44Å; C591-C610 WeakPolarHBondContact CB-SG 3.02Å; C591-C610 WeakPolarHBondContact SG-CB 3.29Å; C591-C610 CovalentContact SG-SG 2.06Å; C591-C610 PolarHBondContact SG-SG 2.94Å; C607-C610 HydrophobicContact CB-CB 4.24Å; C607-C610 WeakPolarHBondContact CB-SG 3.3Å; C607-C610 PolarHBondContact O-N 2.95Å; C610-C612 PolarHBondContact O-N 3.4Å; C610-C612 VanDerWaalsContact SG-CB 3.56Å; C610-C612 VanDerWaalsContact SG-SG 3.64Å |
| 611 | G | 39.7 | Very low | 35.4 | Very low | 43 Ų | 43 | 90.4 Ų | 90.4 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | trans | 72.4 | -13.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q606 C607 V613 | Q606-G611 VanDerWaalsContact CG-O 3.28Å; Q606-G611 WeakPolarHBondContact CG-O 3.48Å; Q606-G611 PolarHBondContact NE2-O 3.14Å; C607-G611 PolarHBondContact O-N 3.12Å; G611-V613 PolarHBondContact O-N 3.43Å | ||
| 612 | C | 42.7 | Very low | 35.2 | Very low | 36 Ų | 36 | 88.3 Ų | 88.3 | 24% | 0.243 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 130.2 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | H587 Q606 C607 C610 | H587-C612 PolarHBondContact CE1-SG 3.01Å; Q606-C612 VanDerWaalsContact CA-O 3.32Å; Q606-C612 WeakPolarHBondContact CA-O 3.43Å; C607-C612 PolarHBondContact N-O 2.65Å; C610-C612 PolarHBondContact O-N 3.4Å; C610-C612 VanDerWaalsContact SG-CB 3.56Å; C610-C612 VanDerWaalsContact SG-SG 3.64Å |
| 613 | V | 41.9 | Very low | 34.9 | Very low | 81 Ų | 81 | 92.5 Ų | 92.5 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | B | Isolated β-bridge | trans | -88.9 | 126 | 166.4 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | Q606 G611 I615 | Q606-V613 HydrophobicContact CB-CG2 4.29Å; Q606-V613 HydrophobicContact CG-CG2 3.92Å; G611-V613 PolarHBondContact O-N 3.43Å; V613-I615 HydrophobicContact CG1-CD1 4.35Å; V613-I615 HydrophobicContact CG1-CG1 3.97Å |
| 614 | W | 36.5 | Very low | 34.6 | Very low | 152 Ų | 152 | 90.9 Ų | 90.9 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -96.5 | 120.7 | 173.7 | -84.6 | 66.8 | 0 | 0 | 0 | 110.3 | L595 P605 | L595-W614 HydrophobicContact CD1-CD2 4.24Å; L595-W614 HydrophobicContact CD1-CE3 4.23Å; L595-W614 HydrophobicContact CD1-CH2 4.47Å; L595-W614 HydrophobicContact CD1-CZ2 4.47Å; L595-W614 HydrophobicContact CD1-CZ3 4.34Å; P605-W614 PolarHBondContact O-N 3.46Å |
| 615 | I | 32.7 | Very low | 33.6 | Very low | 92 Ų | 92 | 97.4 Ų | 97.4 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | trans | -116.6 | 120.1 | 179.7 | -56.5 | -177.3 | 0 | 0 | 0 | 107.9 | V613 N1475 | V613-I615 HydrophobicContact CG1-CD1 4.35Å; V613-I615 HydrophobicContact CG1-CG1 3.97Å; I615-N1475 VanDerWaalsContact CD1-OD1 3.27Å; I615-N1475 WeakPolarHBondContact CD1-OD1 3.3Å | ||
| 616 | H | 28.1 | Very low | 32.7 | Very low | 168 Ų | 168 | 99.8 Ų | 99.8 | 78% | 0.778 | 55% | 0.554 | S | S | * | * | trans | -96 | 122.8 | -173.3 | -151.3 | -44.9 | 0 | 0 | 0 | 110.8 | ||||
| 617 | I | 25.7 | Very low | 31.6 | Very low | 85 Ų | 85 | 102.7 Ų | 102.7 | 44% | 0.436 | 57% | 0.572 | S | S | . | * | trans | -107.4 | 145 | 167.5 | -53.3 | 177.6 | 0 | 0 | 0 | 107.1 | ||||
| 618 | P | 25.9 | Very low | 30.6 | Very low | 78 Ų | 78 | 111.5 Ų | 111.5 | 51% | 0.506 | 61% | 0.61 | S | S | . | * | trans | -79.6 | 164.9 | -154.3 | -20.5 | 35.4 | 0 | 0 | 0 | 117 | R1477 | P618-R1477 WeakPolarHBondContact CD-O 3.48Š| ||
| 619 | S | 24.7 | Very low | 29.8 | Very low | 75 Ų | 75 | 115.2 Ų | 115.2 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | trans | -79.5 | 158.6 | 171.9 | 48.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 620 | F | 24 | Very low | 29.2 | Very low | 207 Ų | 207 | 116.8 Ų | 116.8 | 91% | 0.908 | 62% | 0.622 | S | S | * | * | trans | -107.9 | 126.6 | 141.1 | -106 | -89 | 0 | 0 | 0 | 108.5 | ||||
| 621 | D | 25.1 | Very low | 28.4 | Very low | 101 Ų | 101 | 123 Ų | 123 | 54% | 0.54 | 65% | 0.648 | S | S | . | * | trans | -113.5 | 146.3 | 164.5 | -70.4 | -55.3 | 0 | 0 | 0 | 107.7 | K576 | K576-D621 IonicContact NZ-OD1 2.64Å; K576-D621 PolarHBondContact NZ-OD1 3.09Å | ||
| 622 | S | 27 | Very low | 27.7 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | trans | -167.9 | 98.9 | 142 | 60.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 623 | H | 24.6 | Very low | 26.9 | Very low | 147 Ų | 147 | 132 Ų | 132 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | trans | -82.7 | 168.8 | 134.7 | -94.9 | -116.2 | 0 | 0 | 0 | 108.5 | ||||
| 624 | A | 26.3 | Very low | 26.2 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 69% | 0.685 | S | S | * | * | trans | 81.4 | 102.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 625 | K | 23.4 | Very low | 25.7 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 87% | 0.87 | 70% | 0.696 | S | S | * | * | 15.9 | 119.1 | 129.4 | -58.7 | 174.2 | 178.9 | 178.5 | 0 | 117.6 | |||||
| 626 | C | 23.3 | Very low | 25.4 | Very low | 129 Ų | 129 | 136 Ų | 136 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | -150.5 | 140.1 | 117.6 | -104.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 627 | D | 23.7 | Very low | 25.6 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | -56.1 | 163.6 | 170 | -55.9 | -79.3 | 0 | 0 | 0 | 114.4 | ||||
| 628 | K | 25.8 | Very low | 25.6 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | trans | 78.5 | 142.5 | 161 | -63.5 | 162.7 | -178.6 | 179 | 0 | 118.1 | ||||
| 629 | F | 23.3 | Very low | 25.5 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | cis | -169.7 | 169.9 | -30.6 | -131.3 | -87.6 | 0 | 0 | 0 | 105.4 | ||||
| 630 | D | 25 | Very low | 25.6 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | trans | 67.5 | 119.5 | 152.9 | -72.6 | -37.8 | 0 | 0 | 0 | 122.1 | ||||
| 631 | E | 26.4 | Very low | 25.6 | Very low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | 98.4 | 105.3 | 134.2 | -70.9 | -169.9 | 144.9 | 0 | 0 | 122.4 | ||||
| 632 | F | 25.5 | Very low | 25.8 | Very low | 169 Ų | 169 | 144 Ų | 144 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | 60.1 | 137.9 | 135.8 | -63.2 | -60.4 | 0 | 0 | 0 | 120.4 | ||||
| 633 | D | 25.9 | Very low | 25.5 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 54% | 0.54 | 75% | 0.754 | S | S | . | * | cis | -160 | 160.8 | 4.7 | -142.5 | -22.7 | 0 | 0 | 0 | 114 | ||||
| 634 | K | 26.7 | Very low | 25.6 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 67% | 0.665 | 75% | 0.754 | S | S | * | * | trans | 49.5 | 119.4 | 155.8 | -77.3 | 140.1 | -162.1 | 155.6 | 0 | 122.4 | ||||
| 635 | N | 26.2 | Very low | 25.6 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 75.6 | 125.9 | 144.9 | -52.9 | -9.3 | 0 | 0 | 0 | 117 | ||||
| 636 | S | 27.2 | Very low | 25.6 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -150.1 | 133.9 | 3 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 637 | D | 31.7 | Very low | 25.6 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | 53.1 | 123.6 | 168.1 | -59.6 | -18.7 | 0 | 0 | 0 | 119.4 | ||||
| 638 | H | 26.3 | Very low | 25.8 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | trans | -142.3 | 134.8 | -154.8 | -97.7 | -72 | 0 | 0 | 0 | 112.6 | ||||
| 639 | T | 24.5 | Very low | 25.7 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | trans | 68.3 | 162.8 | 143.9 | 68.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 640 | K | 26.9 | Very low | 25.8 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | cis | -146 | 153.1 | 31.5 | -68.3 | 174.7 | 178.2 | 171.6 | 0 | 113.9 | ||||
| 641 | C | 23.6 | Very low | 25.8 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | trans | -80.8 | 148.3 | 164 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 642 | I | 28.8 | Very low | 25.8 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -134.3 | 121.3 | 172.9 | -60.6 | -179.3 | 0 | 0 | 0 | 109.9 | ||||
| 643 | C | 21 | Very low | 25.9 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -131.1 | 73.5 | 165.3 | -75.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 644 | C | 27.2 | Very low | 26 | Very low | 99 Ų | 99 | 135 Ų | 135 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | trans | -141.3 | 125.1 | 170.6 | -82.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 645 | L | 25 | Very low | 26.1 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | 33.3 | 137.6 | 117.8 | -56.2 | 170 | 0 | 0 | 0 | 118.2 | |||||
| 646 | S | 23.7 | Very low | 26.2 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | cis | 172 | 155.5 | -15.4 | 42.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 647 | S | 23.9 | Very low | 26.2 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 62.9 | 146.5 | 159.6 | 53.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 648 | S | 26.6 | Very low | 26.3 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | trans | 76.2 | 110.4 | 158.1 | -60.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 649 | E | 24.1 | Very low | 26.7 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 78% | 0.78 | 72% | 0.715 | S | S | * | * | trans | -8.2 | 138.8 | 135.1 | -48.4 | 170.6 | 172.7 | 0 | 0 | 117.4 | ||||
| 650 | Q | 25.4 | Very low | 27.1 | Very low | 152 Ų | 152 | 130 Ų | 130 | 71% | 0.71 | 71% | 0.713 | S | S | * | * | 172.9 | 131.9 | 94.8 | -88.6 | -163.9 | -0.1 | 0 | 0 | 114.3 | |||||
| 651 | I | 24.4 | Very low | 27.3 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | trans | 69.9 | 130.1 | 131.6 | -61.6 | 175.4 | 0 | 0 | 0 | 121.6 | ||||
| 652 | N | 26.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | trans | 77.4 | 103 | 152.2 | -79.1 | -18.4 | 0 | 0 | 0 | 124.3 | ||||
| 653 | N | 28.1 | Very low | 27.4 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | 70 | 153.6 | 95.6 | -96.7 | -46.6 | 0 | 0 | 0 | 123.7 | |||||
| 654 | Q | 28.1 | Very low | 27.6 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | trans | 71.7 | 139.4 | 157.5 | -72 | 166.8 | 7.6 | 0 | 0 | 116.4 | ||||
| 655 | Q | 28.3 | Very low | 27.6 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | cis | -166 | 171.7 | -0.2 | -132.5 | 166.7 | -12.4 | 0 | 0 | 113.1 | ||||
| 656 | T | 28.1 | Very low | 27.7 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 61% | 0.613 | 69% | 0.685 | S | S | * | * | trans | 61.1 | 108.4 | 144.8 | 57.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 657 | D | 28.7 | Very low | 27.7 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | 127.2 | 135.8 | 87.8 | -91.9 | 23.7 | 0 | 0 | 0 | 121.9 | |||||
| 658 | N | 33.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | trans | 79.7 | 100 | 136.5 | -64.5 | -24.6 | 0 | 0 | 0 | 123.9 | ||||
| 659 | N | 33.5 | Very low | 27.7 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 69% | 0.69 | 69% | 0.687 | S | S | * | * | 104 | 121.1 | 104.4 | -71.5 | -4.7 | 0 | 0 | 0 | 123.4 | |||||
| 660 | N | 33.3 | Very low | 27.8 | Very low | 123 Ų | 123 | 135 Ų | 135 | 66% | 0.658 | 68% | 0.68 | S | S | * | * | 92.1 | 105 | 129.4 | -69.3 | 37.1 | 0 | 0 | 0 | 122.8 | |||||
| 661 | D | 30.7 | Very low | 27.8 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | 89.3 | 103.9 | 116.5 | -69.6 | -43.2 | 0 | 0 | 0 | 123.4 | |||||
| 662 | Q | 28.3 | Very low | 27.7 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 67% | 0.673 | 68% | 0.679 | S | S | * | * | 77.6 | 108.3 | 117.8 | -69.5 | -175.8 | 61.4 | 0 | 0 | 122.3 | |||||
| 663 | Q | 26.2 | Very low | 27.7 | Very low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | 106.3 | 138.4 | 115 | -84.7 | -163.9 | 59.9 | 0 | 0 | 121.6 | |||||
| 664 | M | 26 | Very low | 27.5 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 64% | 0.64 | 69% | 0.685 | S | S | * | * | trans | 78.1 | 96.9 | 151.4 | -68.5 | -74.7 | 167.6 | 0 | 0 | 120.6 | ||||
| 665 | K | 27.3 | Very low | 27.3 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | 83.4 | 101.7 | 127.7 | -74.9 | 172.8 | 177.5 | 162.2 | 0 | 120.4 | |||||
| 666 | N | 26.3 | Very low | 27.1 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | 78.4 | 134.3 | 117.8 | -71.6 | 21.2 | 0 | 0 | 0 | 120.5 | |||||
| 667 | N | 25.1 | Very low | 27.1 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | 81.3 | 136.7 | 150.4 | -71.7 | 1.5 | 0 | 0 | 0 | 118.3 | ||||
| 668 | Q | 25.2 | Very low | 27.1 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 77% | 0.771 | 69% | 0.689 | S | S | * | * | trans | 75 | 123.8 | 155.1 | -75.4 | 164.6 | -25.7 | 0 | 0 | 117.2 | ||||
| 669 | Q | 24.2 | Very low | 26.7 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | 91.6 | 136 | 136.7 | -81.8 | -179.1 | -108.3 | 0 | 0 | 119.5 | ||||
| 670 | D | 25.8 | Very low | 26.3 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | trans | 70.1 | 117.2 | 143.4 | -50.5 | -14.2 | 0 | 0 | 0 | 119 | ||||
| 671 | D | 25.3 | Very low | 25.9 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | trans | 59.7 | 117.4 | 136.2 | -71.8 | -49.7 | 0 | 0 | 0 | 121.8 | ||||
| 672 | Q | 23.3 | Very low | 25.9 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | 65.7 | 129.5 | 124.5 | -61.1 | 171.8 | 45.2 | 0 | 0 | 119.9 | |||||
| 673 | H | 25.4 | Very low | 25.9 | Very low | 162 Ų | 162 | 147 Ų | 147 | 75% | 0.75 | 72% | 0.723 | S | S | * | * | trans | 66.9 | 155.2 | 164.2 | -61.5 | -60.7 | 0 | 0 | 0 | 114.4 | ||||
| 674 | Q | 24.9 | Very low | 25.9 | Very low | 167 Ų | 167 | 147 Ų | 147 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | cis | -152.1 | 176.2 | 5.8 | -139.7 | 161.6 | 28.3 | 0 | 0 | 110.3 | ||||
| 675 | S | 24.6 | Very low | 25.8 | Very low | 86 Ų | 86 | 149.6 Ų | 149.6 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | trans | 52.6 | 106.1 | 152 | -175.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 676 | C | 23.8 | Very low | 26 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | 69.2 | 154.6 | 75.2 | -72.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 677 | H | 26.6 | Very low | 26 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 77 | 132.8 | -174.2 | -53.5 | -57.8 | 0 | 0 | 0 | 114.2 | ||||
| 678 | K | 29.1 | Very low | 26 | Very low | 179 Ų | 179 | 154 Ų | 154 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | cis | -148 | 136.3 | 4.4 | -116.5 | 154.7 | -169 | 176.1 | 0 | 107.5 | ||||
| 679 | Y | 24.8 | Very low | 26 | Very low | 185 Ų | 185 | 155 Ų | 155 | 73% | 0.725 | 76% | 0.759 | S | S | * | * | 54.4 | 124.4 | 54.4 | -72.5 | -99.5 | 0 | 0 | 0 | 111.3 | |||||
| 680 | H | 26.2 | Very low | 26.1 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | -155 | 164.9 | 38.9 | -109.5 | -82 | 0 | 0 | 0 | 112.5 | ||||
| 681 | N | 25.2 | Very low | 26.1 | Very low | 141 Ų | 141 | 157.5 Ų | 157.5 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 69.7 | 141.6 | 167.3 | -52.9 | -17.9 | 0 | 0 | 0 | 114.8 | ||||
| 682 | Q | 29.5 | Very low | 26.1 | Very low | 190 Ų | 190 | 158.1 Ų | 158.1 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | cis | -114.2 | 103.8 | 16.3 | -65.3 | 164.6 | -27.1 | 0 | 0 | 113.1 | ||||
| 683 | N | 28.6 | Very low | 26.2 | Very low | 158 Ų | 158 | 157 Ų | 157 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -93.7 | 87.2 | 160.6 | -85.3 | -16.3 | 0 | 0 | 0 | 108.5 | ||||
| 684 | N | 25.6 | Very low | 26.1 | Very low | 141 Ų | 141 | 158.5 Ų | 158.5 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -172.3 | 78 | 165.4 | -99.9 | -20.2 | 0 | 0 | 0 | 111.7 | ||||
| 685 | E | 25.6 | Very low | 26.1 | Very low | 185 Ų | 185 | 159.8 Ų | 159.8 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -167 | -25.6 | 157.7 | -120.1 | 172.8 | -154.9 | 0 | 0 | 113.4 | Q687 | E685-Q687 PolarHBondContact O-N 2.8Š|
| 686 | Q | 31.3 | Very low | 26.2 | Very low | 179 Ų | 179 | 160.4 Ų | 160.4 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 13 | -179.2 | -63.3 | -174.9 | -3.3 | 0 | 0 | 115.4 | N690 | Q686-N690 PolarHBondContact O-ND2 3.15Š|
| 687 | Q | 26.1 | Very low | 26.2 | Very low | 168 Ų | 168 | 162.6 Ų | 162.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 7.6 | -179.8 | -77.9 | -171.8 | -18.4 | 0 | 0 | 115 | E685 | E685-Q687 PolarHBondContact O-N 2.8Š|
| 688 | Q | 25.1 | Very low | 26.1 | Very low | 185 Ų | 185 | 161.6 Ų | 161.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -117.1 | 9.1 | 177.6 | -74.7 | -167.3 | -10.2 | 0 | 0 | 116.3 | ||
| 689 | M | 24.7 | Very low | 25.9 | Very low | 185 Ų | 185 | 157.5 Ų | 157.5 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -135.6 | 28.5 | 176.1 | -88.3 | -172.2 | -82.6 | 0 | 0 | 114.9 | ||
| 690 | N | 27.3 | Very low | 25.9 | Very low | 135 Ų | 135 | 155 Ų | 155 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -111.4 | 3.8 | 177 | -88 | -58.4 | 0 | 0 | 0 | 115.1 | Q686 | Q686-N690 PolarHBondContact O-ND2 3.15Š| ||
| 691 | E | 25.7 | Very low | 25.9 | Very low | 186 Ų | 186 | 152.9 Ų | 152.9 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 50.7 | -173.8 | -63.7 | -163.8 | 128.6 | 0 | 0 | 114.7 | ||
| 692 | T | 25.3 | Very low | 26 | Very low | 139 Ų | 139 | 152.7 Ų | 152.7 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.8 | 16.7 | 165.8 | -25.4 | 0 | 0 | 0 | 0 | 115 | ||
| 693 | L | 23.7 | Very low | 25.7 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 63% | 0.628 | 74% | 0.744 | S | S | * | * | trans | -138.1 | 87.3 | -176.3 | -74.5 | 172.9 | 0 | 0 | 0 | 113.1 | ||||
| 694 | R | 25.3 | Very low | 25.7 | Very low | 192 Ų | 192 | 145 Ų | 145 | 73% | 0.725 | 73% | 0.732 | S | S | * | * | trans | 178 | 106.8 | 150 | -98.9 | 157.5 | -155.1 | -154.9 | 10.6 | 111.7 | ||||
| 695 | F | 24 | Very low | 25.7 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | trans | -129.4 | 76.9 | 156.1 | -98.3 | -74.7 | 0 | 0 | 0 | 108.7 | ||||
| 696 | T | 25.7 | Very low | 25.7 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -141.1 | 132.1 | 179.8 | 48.9 | 0 | 0 | 0 | 0 | 108.5 | Q698 | T696-Q698 PolarHBondContact O-N 3.06Å; T696-Q698 VanDerWaalsContact O-N 3.1Å |
| 697 | Y | 24.7 | Very low | 25.4 | Very low | 158 Ų | 158 | 142 Ų | 142 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -57 | 116.5 | 170.4 | -92.3 | -136.9 | 0 | 0 | 0 | 109.2 | T579 I581 | T579-Y697 HydrophobicContact CG2-CD2 4.41Å; T579-Y697 HydrophobicContact CG2-CE2 3.83Å; I581-Y697 HydrophobicContact CD1-CD2 3.97Å; I581-Y697 HydrophobicContact CD1-CE2 3.46Å; I581-Y697 VanDerWaalsContact CD1-CE2 3.46Å; I581-Y697 HydrophobicContact CG1-CE2 4.47Å |
| 698 | Q | 25.3 | Very low | 25.5 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 58% | 0.575 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 127.9 | 168.9 | -69.4 | -165.4 | -98.7 | 0 | 0 | 108.8 | T696 | T696-Q698 PolarHBondContact O-N 3.06Å; T696-Q698 VanDerWaalsContact O-N 3.1Å |
| 699 | P | 23.5 | Very low | 25.7 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 154.1 | 152.7 | 31.2 | -33.3 | 0 | 0 | 0 | 108.8 | N701 | P699-N701 PolarHBondContact O-N 3.01Š|
| 700 | V | 26.2 | Very low | 25.9 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 122.1 | -174.8 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | L702 | V700-L702 PolarHBondContact O-N 3.31Š|
| 701 | N | 26 | Very low | 25.9 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 57% | 0.567 | 68% | 0.679 | S | S | * | * | trans | -80.4 | 97.9 | 175.6 | -176.8 | 42.3 | 0 | 0 | 0 | 110 | P699 N703 | P699-N701 PolarHBondContact O-N 3.01Å; N701-N703 PolarHBondContact ND2-O 3.23Å; N701-N703 PolarHBondContact O-N 3.05Å | ||
| 702 | L | 26.4 | Very low | 26 | Very low | 137 Ų | 137 | 127 Ų | 127 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | trans | -78.1 | -4.3 | 178.2 | -97.8 | 162.5 | 0 | 0 | 0 | 114.2 | V700 A704 | V700-L702 PolarHBondContact O-N 3.31Å; L702-A704 PolarHBondContact O-N 3.2Å | ||
| 703 | N | 24.1 | Very low | 26.2 | Very low | 117 Ų | 117 | 125 Ų | 125 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | trans | -100.1 | 82.1 | -177.3 | -64.4 | -17.1 | 0 | 0 | 0 | 110.6 | N701 | N701-N703 PolarHBondContact ND2-O 3.23Å; N701-N703 PolarHBondContact O-N 3.05Å | ||
| 704 | A | 27.9 | Very low | 26.3 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 59% | 0.587 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -150.9 | 112 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L702 L706 | L702-A704 PolarHBondContact O-N 3.2Å; A704-L706 PolarHBondContact O-N 3.31Å |
| 705 | D | 25.6 | Very low | 26.4 | Very low | 169 Ų | 169 | 117 Ų | 117 | 90% | 0.904 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 44.2 | 65.6 | 160.6 | -54.2 | -23.2 | 0 | 0 | 0 | 118.9 | ||
| 706 | L | 26 | Very low | 26.7 | Very low | 131 Ų | 131 | 115 Ų | 115 | 69% | 0.686 | 62% | 0.621 | S | S | * | * | trans | -148.6 | 124.8 | 160.5 | -102.2 | 137.5 | 0 | 0 | 0 | 112.7 | A704 L708 | A704-L706 PolarHBondContact O-N 3.31Å; L706-L708 HydrophobicContact CB-CD1 4.24Å; L706-L708 PolarHBondContact O-N 2.88Å | ||
| 707 | N | 25.1 | Very low | 26.8 | Very low | 140 Ų | 140 | 115.7 Ų | 115.7 | 75% | 0.749 | 62% | 0.624 | S | S | * | * | trans | -63.9 | 117 | 170.9 | -78.4 | -37.7 | 0 | 0 | 0 | 109.9 | N711 | N707-N711 PolarHBondContact O-ND2 3.41Š| ||
| 708 | L | 27 | Very low | 27 | Very low | 88 Ų | 88 | 114.8 Ų | 114.8 | 46% | 0.461 | 63% | 0.629 | S | S | . | * | trans | -121.6 | 1.9 | -168.1 | -108.4 | 145.9 | 0 | 0 | 0 | 115.3 | L706 E710 N711 M712 | L706-L708 HydrophobicContact CB-CD1 4.24Å; L706-L708 PolarHBondContact O-N 2.88Å; L708-E710 VanDerWaalsContact C-N 3.25Å; L708-E710 PolarHBondContact O-N 3.41Å; L708-N711 HydrophobicContact CD2-CB 3.51Å; L708-N711 HydrophobicContact CG-CB 3.97Å; L708-N711 PolarHBondContact O-N 3.26Å; L708-M712 PolarHBondContact O-N 3.37Å | ||
| 709 | T | 29.7 | Very low | 27.1 | Very low | 128 Ų | 128 | 114 Ų | 114 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -34.8 | 167.9 | 35.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 710 | E | 29.3 | Very low | 27.7 | Very low | 152 Ų | 152 | 115 Ų | 115 | 71% | 0.71 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -42.1 | 177.1 | -60.2 | -177.5 | 132.1 | 0 | 0 | 111.6 | L708 M712 T713 | L708-E710 VanDerWaalsContact C-N 3.25Å; L708-E710 PolarHBondContact O-N 3.41Å; E710-M712 VanDerWaalsContact C-N 3.26Å; E710-M712 PolarHBondContact O-N 2.76Å; E710-T713 WeakPolarHBondContact O-CB 3.42Å; E710-T713 PolarHBondContact O-N 3.16Å; E710-T713 PolarHBondContact O-OG1 3.33Å |
| 711 | N | 28 | Very low | 28.3 | Very low | 64 Ų | 64 | 116.1 Ų | 116.1 | 34% | 0.342 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | -14.6 | -179.3 | -79.4 | -50.2 | 0 | 0 | 0 | 114.5 | N707 L708 T713 V714 V715 | N707-N711 PolarHBondContact O-ND2 3.41Å; L708-N711 HydrophobicContact CD2-CB 3.51Å; L708-N711 HydrophobicContact CG-CB 3.97Å; L708-N711 PolarHBondContact O-N 3.26Å; N711-T713 PolarHBondContact O-N 2.9Å; N711-T713 VanDerWaalsContact O-N 3.07Å; N711-V714 PolarHBondContact O-N 2.95Å; N711-V715 PolarHBondContact O-N 2.81Å; N711-V715 VanDerWaalsContact O-N 3.12Å |
| 712 | M | 27.2 | Very low | 29.2 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 56% | 0.557 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59.9 | -19 | 171.9 | -151.6 | -163.3 | -163.8 | 0 | 0 | 112.9 | L708 E710 K716 | L708-M712 PolarHBondContact O-N 3.37Å; E710-M712 VanDerWaalsContact C-N 3.26Å; E710-M712 PolarHBondContact O-N 2.76Å; M712-K716 WeakPolarHBondContact O-CD 3.23Å; M712-K716 WeakPolarHBondContact O-CG 3.46Å; M712-K716 PolarHBondContact O-N 3.06Å |
| 713 | T | 28.6 | Very low | 30.3 | Very low | 97 Ų | 97 | 110.7 Ų | 110.7 | 60% | 0.595 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.3 | -34.3 | 173 | -33.6 | 0 | 0 | 0 | 0 | 112.4 | E710 N711 T717 | E710-T713 WeakPolarHBondContact O-CB 3.42Å; E710-T713 PolarHBondContact O-N 3.16Å; E710-T713 PolarHBondContact O-OG1 3.33Å; N711-T713 PolarHBondContact O-N 2.9Å; N711-T713 VanDerWaalsContact O-N 3.07Å; T713-T717 PolarHBondContact O-OG1 3.44Å |
| 714 | V | 26.7 | Very low | 32 | Very low | 70 Ų | 70 | 105.7 Ų | 105.7 | 42% | 0.424 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -80.2 | -40.5 | -178.2 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | N711 K716 T717 L718 | N711-V714 PolarHBondContact O-N 2.95Å; V714-K716 VanDerWaalsContact C-N 3.28Å; V714-K716 PolarHBondContact O-N 3.47Å; V714-T717 WeakPolarHBondContact CA-OG1 3.39Å; V714-T717 PolarHBondContact O-N 2.86Å; V714-T717 PolarHBondContact O-OG1 3.09Å; V714-L718 HydrophobicContact CG1-CD1 4.01Å; V714-L718 PolarHBondContact O-N 2.55Å |
| 715 | V | 28.1 | Very low | 33.8 | Very low | 73 Ų | 73 | 107.6 Ų | 107.6 | 44% | 0.442 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.8 | -35.3 | 175.6 | 180 | 0 | 0 | 0 | 0 | 111.5 | N711 T717 L718 L719 | N711-V715 PolarHBondContact O-N 2.81Å; N711-V715 VanDerWaalsContact O-N 3.12Å; V715-T717 PolarHBondContact O-N 3.28Å; V715-L718 PolarHBondContact O-N 3.24Å; V715-L719 HydrophobicContact CG1-CD1 3.86Å; V715-L719 PolarHBondContact O-N 2.79Å |
| 716 | K | 28.8 | Very low | 35.7 | Very low | 155 Ų | 155 | 101.3 Ų | 101.3 | 67% | 0.674 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -11 | 173.1 | -80.2 | 177 | 179.5 | 171.3 | 0 | 115 | M712 V714 | M712-K716 WeakPolarHBondContact O-CD 3.23Å; M712-K716 WeakPolarHBondContact O-CG 3.46Å; M712-K716 PolarHBondContact O-N 3.06Å; V714-K716 VanDerWaalsContact C-N 3.28Å; V714-K716 PolarHBondContact O-N 3.47Å |
| 717 | T | 29 | Very low | 38.1 | Very low | 111 Ų | 111 | 96.8 Ų | 96.8 | 68% | 0.681 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 0.7 | 177.6 | 33.2 | 0 | 0 | 0 | 0 | 113.2 | T713 V714 V715 | T713-T717 PolarHBondContact O-OG1 3.44Å; V714-T717 WeakPolarHBondContact CA-OG1 3.39Å; V714-T717 PolarHBondContact O-N 2.86Å; V714-T717 PolarHBondContact O-OG1 3.09Å; V715-T717 PolarHBondContact O-N 3.28Å |
| 718 | L | 28.3 | Very low | 40.5 | Very low | 139 Ų | 139 | 95.5 Ų | 95.5 | 73% | 0.728 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -7.4 | -177.7 | -67.8 | 173.9 | 0 | 0 | 0 | 114.8 | V714 V715 | V714-L718 HydrophobicContact CG1-CD1 4.01Å; V714-L718 PolarHBondContact O-N 2.55Å; V715-L718 PolarHBondContact O-N 3.24Å |
| 719 | L | 28.5 | Very low | 42.9 | Very low | 107 Ų | 107 | 93.6 Ų | 93.6 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -113.3 | 144.7 | 170.5 | -74 | 170.9 | 0 | 0 | 0 | 110.6 | V715 | V715-L719 HydrophobicContact CG1-CD1 3.86Å; V715-L719 PolarHBondContact O-N 2.79Å |
| 720 | P | 35.7 | Very low | 45.1 | Very low | 115 Ų | 115 | 87.5 Ų | 87.5 | 75% | 0.747 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 152.1 | 169 | -22.2 | 33.3 | 0 | 0 | 0 | 111.7 | ||
| 721 | D | 38.8 | Very low | 47.5 | Very low | 156 Ų | 156 | 82.1 Ų | 82.1 | 83% | 0.834 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 130.5 | 170.9 | -89.5 | -51 | 0 | 0 | 0 | 110.2 | ||
| 722 | P | 44 | Very low | 49.7 | Very low | 47 Ų | 47 | 82.2 Ų | 82.2 | 31% | 0.305 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 134 | -171.9 | 24.6 | -34.2 | 0 | 0 | 0 | 109.9 | F724 Y727 I743 | P722-F724 PolarHBondContact O-N 2.9Å; P722-Y727 HydrophobicContact CB-CD1 4.27Å; P722-Y727 HydrophobicContact CB-CD2 3.78Å; P722-Y727 HydrophobicContact CB-CG 3.62Å; P722-Y727 HydrophobicContact CG-CD1 3.97Å; P722-Y727 HydrophobicContact CG-CD2 4.37Å; P722-Y727 HydrophobicContact CG-CG 3.72Å; P722-I743 HydrophobicContact CB-CD1 4.33Å |
| 723 | P | 49.2 | Very low | 52.1 | Low | 82 Ų | 82 | 77.2 Ų | 77.2 | 53% | 0.532 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -68.6 | 2.7 | -161.6 | 26.6 | -37.4 | 0 | 0 | 0 | 115.5 | I743 F815 | P723-I743 HydrophobicContact CG-CB 4.48Å; P723-I743 HydrophobicContact CG-CG2 4.1Å; P723-F815 HydrophobicContact CB-CE2 4.38Å; P723-F815 HydrophobicContact CB-CZ 3.92Å; P723-F815 HydrophobicContact CG-CZ 4.13Å; P723-F815 WeakPolarHBondContact O-CE2 3.39Å |
| 724 | F | 60.6 | Low | 54.7 | Low | 12 Ų | 12 | 73.7 Ų | 73.7 | 5% | 0.053 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -138.2 | 136 | 170.8 | 54.6 | -95.3 | 0 | 0 | 0 | 111.9 | P722 E726 Y727 C730 L742 I743 L812 F815 | P722-F724 PolarHBondContact O-N 2.9Å; F724-E726 HydrophobicContact CD2-CB 3.84Å; F724-E726 HydrophobicContact CE2-CB 4.41Å; F724-E726 PolarHBondContact O-N 3.37Å; F724-Y727 PolarHBondContact O-N 3.45Å; F724-Y727 VanDerWaalsContact O-N 3.09Å; F724-C730 HydrophobicContact CE2-CB 4.29Å; F724-L742 HydrophobicContact CZ-CB 4.3Å; F724-I743 HydrophobicContact CD1-CG2 4.27Å; F724-I743 HydrophobicContact CE1-CG2 3.47Å; F724-I743 VanDerWaalsContact CE1-CG2 3.47Å; F724-I743 HydrophobicContact CZ-CG2 3.87Å; F724-L812 HydrophobicContact CD2-CD2 4.34Å; F724-L812 HydrophobicContact CE1-CD2 4.27Å; F724-L812 HydrophobicContact CE2-CD2 3.69Å; F724-L812 HydrophobicContact CZ-CD2 3.66Å; F724-F815 HydrophobicContact CB-CD2 3.86Å; F724-F815 HydrophobicContact CB-CE2 4.11Å; F724-F815 HydrophobicContact CB-CG 4.15Å; F724-F815 AromaticContact CD1-CD1 3.81Å; F724-F815 HydrophobicContact CD1-CD1 3.81Å; F724-F815 HydrophobicContact CD1-CD2 4.45Å; F724-F815 AromaticContact CD1-CE1 3.75Å; F724-F815 HydrophobicContact CD1-CE1 3.75Å; F724-F815 HydrophobicContact CD1-CE2 4.39Å; F724-F815 HydrophobicContact CD1-CG 4.18Å; F724-F815 HydrophobicContact CD1-CZ 4.06Å; F724-F815 HydrophobicContact CE1-CD1 4.42Å; F724-F815 HydrophobicContact CE1-CE1 4.36Å; F724-F815 HydrophobicContact CG-CG 4.47Å |
| 725 | S | 65.3 | Low | 57.4 | Low | 110 Ų | 110 | 71.8 Ų | 71.8 | 77% | 0.769 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23 | -179.8 | 36.4 | 0 | 0 | 0 | 0 | 114.7 | Y727 | S725-Y727 VanDerWaalsContact C-N 3.3Å; S725-Y727 PolarHBondContact O-N 3.46Å |
| 726 | E | 67 | Low | 59.7 | Low | 37 Ų | 37 | 71.8 Ų | 71.8 | 17% | 0.173 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -0.9 | -179.2 | -77.3 | 69 | -168.7 | 0 | 0 | 114.1 | F724 N728 S729 C730 K811 | F724-E726 HydrophobicContact CD2-CB 3.84Å; F724-E726 HydrophobicContact CE2-CB 4.41Å; F724-E726 PolarHBondContact O-N 3.37Å; E726-N728 VanDerWaalsContact C-N 3.32Å; E726-N728 PolarHBondContact O-N 2.65Å; E726-S729 CarbonylContact O-C 3.46Å; E726-S729 WeakPolarHBondContact O-CA 3.3Å; E726-S729 VanDerWaalsContact O-CB 3.3Å; E726-S729 WeakPolarHBondContact O-CB 3.41Å; E726-S729 PolarHBondContact O-N 2.9Å; E726-C730 PolarHBondContact O-N 3.44Å; E726-C730 PolarHBondContact O-SG 3.17Å; E726-K811 HydrophobicContact CG-CB 3.97Å; E726-K811 HydrophobicContact CG-CD 3.76Å; E726-K811 HydrophobicContact CG-CG 4.4Å; E726-K811 VanDerWaalsContact OE1-CE 3.27Å; E726-K811 WeakPolarHBondContact OE1-CE 3.37Å; E726-K811 IonicContact OE1-NZ 2.71Å; E726-K811 PolarHBondContact OE1-NZ 2.85Å |
| 727 | Y | 74.5 | Confident | 62 | Low | 36 Ų | 36 | 69.7 Ų | 69.7 | 14% | 0.141 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -48.7 | -51.2 | -176.5 | 177.5 | -94.8 | 0 | 0 | 0 | 112.7 | P722 F724 S725 S729 C730 V731 A739 N740 I743 | P722-Y727 HydrophobicContact CB-CD1 4.27Å; P722-Y727 HydrophobicContact CB-CD2 3.78Å; P722-Y727 HydrophobicContact CB-CG 3.62Å; P722-Y727 HydrophobicContact CG-CD1 3.97Å; P722-Y727 HydrophobicContact CG-CD2 4.37Å; P722-Y727 HydrophobicContact CG-CG 3.72Å; F724-Y727 PolarHBondContact O-N 3.45Å; F724-Y727 VanDerWaalsContact O-N 3.09Å; S725-Y727 VanDerWaalsContact C-N 3.3Å; S725-Y727 PolarHBondContact O-N 3.46Å; Y727-S729 VanDerWaalsContact C-N 3.29Å; Y727-S729 PolarHBondContact O-N 2.92Å; Y727-C730 WeakPolarHBondContact O-CA 3.38Å; Y727-C730 WeakPolarHBondContact O-CB 3.3Å; Y727-C730 PolarHBondContact O-N 2.9Å; Y727-V731 HydrophobicContact CD1-CG2 4.14Å; Y727-V731 HydrophobicContact CE1-CG2 3.61Å; Y727-V731 HydrophobicContact CE2-CG2 4.32Å; Y727-V731 WeakPolarHBondContact O-CG2 3.49Å; Y727-V731 PolarHBondContact O-N 3.19Å; Y727-A739 HydrophobicContact CD2-CB 4.15Å; Y727-A739 HydrophobicContact CE2-CB 3.62Å; Y727-N740 PolarHBondContact OH-OD1 2.77Å; Y727-I743 HydrophobicContact CD2-CD1 4.18Å; Y727-I743 HydrophobicContact CD2-CG2 4.11Å; Y727-I743 HydrophobicContact CE2-CD1 3.74Å; Y727-I743 HydrophobicContact CE2-CG1 4.3Å; Y727-I743 HydrophobicContact CE2-CG2 4.48Å |
| 728 | N | 75.8 | Confident | 64.6 | Low | 114 Ų | 114 | 65.4 Ų | 65.4 | 61% | 0.61 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.2 | -34.1 | 176.5 | -65.4 | -42.8 | 0 | 0 | 0 | 113.1 | E726 C730 S732 | E726-N728 VanDerWaalsContact C-N 3.32Å; E726-N728 PolarHBondContact O-N 2.65Å; N728-C730 VanDerWaalsContact C-N 3.34Å; N728-S732 WeakPolarHBondContact O-CB 3.49Å; N728-S732 PolarHBondContact O-N 2.9Å; N728-S732 PolarHBondContact O-OG 2.83Å |
| 729 | S | 77.2 | Confident | 67.3 | Low | 47 Ų | 47 | 58.8 Ų | 58.8 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.8 | -29.6 | 173.4 | -53.3 | 0 | 0 | 0 | 0 | 112.5 | E726 Y727 A733 | E726-S729 CarbonylContact O-C 3.46Å; E726-S729 WeakPolarHBondContact O-CA 3.3Å; E726-S729 VanDerWaalsContact O-CB 3.3Å; E726-S729 WeakPolarHBondContact O-CB 3.41Å; E726-S729 PolarHBondContact O-N 2.9Å; Y727-S729 VanDerWaalsContact C-N 3.29Å; Y727-S729 PolarHBondContact O-N 2.92Å; S729-A733 VanDerWaalsContact O-CB 3.25Å; S729-A733 WeakPolarHBondContact O-CB 3.47Å; S729-A733 PolarHBondContact O-N 2.72Å; S729-A733 VanDerWaalsContact O-N 3.1Å |
| 730 | C | 77.5 | Confident | 69.7 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -79.9 | -37.1 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | F724 E726 Y727 N728 S732 A733 F734 A739 L812 | F724-C730 HydrophobicContact CE2-CB 4.29Å; E726-C730 PolarHBondContact O-N 3.44Å; E726-C730 PolarHBondContact O-SG 3.17Å; Y727-C730 WeakPolarHBondContact O-CA 3.38Å; Y727-C730 WeakPolarHBondContact O-CB 3.3Å; Y727-C730 PolarHBondContact O-N 2.9Å; N728-C730 VanDerWaalsContact C-N 3.34Å; C730-S732 VanDerWaalsContact C-N 3.31Å; C730-A733 PolarHBondContact O-N 3.02Å; C730-F734 HydrophobicContact CB-CD2 4.49Å; C730-F734 PolarHBondContact O-N 3.17Å; C730-A739 HydrophobicContact CB-CB 4.42Å; C730-L812 HydrophobicContact CB-CD1 4.49Å; C730-L812 VanDerWaalsContact SG-CD2 3.59Å |
| 731 | V | 78.9 | Confident | 72 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.5 | -48.4 | 164.5 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | Y727 A733 V736 A739 | Y727-V731 HydrophobicContact CD1-CG2 4.14Å; Y727-V731 HydrophobicContact CE1-CG2 3.61Å; Y727-V731 HydrophobicContact CE2-CG2 4.32Å; Y727-V731 WeakPolarHBondContact O-CG2 3.49Å; Y727-V731 PolarHBondContact O-N 3.19Å; V731-A733 PolarHBondContact O-N 3.45Å; V731-V736 HydrophobicContact CG1-CG2 3.72Å; V731-A739 HydrophobicContact CB-CB 4.31Å; V731-A739 HydrophobicContact CG2-CB 3.41Å; V731-A739 VanDerWaalsContact CG2-CB 3.41Å |
| 732 | S | 74 | Confident | 74.1 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -16.9 | 179.7 | -57.3 | 0 | 0 | 0 | 0 | 114.5 | N728 C730 Y800 | N728-S732 WeakPolarHBondContact O-CB 3.49Å; N728-S732 PolarHBondContact O-N 2.9Å; N728-S732 PolarHBondContact O-OG 2.83Å; C730-S732 VanDerWaalsContact C-N 3.31Å; S732-Y800 WeakPolarHBondContact O-CE2 3.33Å |
| 733 | A | 77.5 | Confident | 75.8 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -35.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S729 C730 V731 Y805 I808 | S729-A733 VanDerWaalsContact O-CB 3.25Å; S729-A733 WeakPolarHBondContact O-CB 3.47Å; S729-A733 PolarHBondContact O-N 2.72Å; S729-A733 VanDerWaalsContact O-N 3.1Å; C730-A733 PolarHBondContact O-N 3.02Å; V731-A733 PolarHBondContact O-N 3.45Å; A733-Y805 WeakPolarHBondContact O-CE1 3.3Å; A733-I808 HydrophobicContact CB-CD1 3.85Å; A733-I808 HydrophobicContact CB-CG2 4.16Å |
| 734 | F | 82.7 | Confident | 77.2 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 10% | 0.096 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -67.7 | -170.4 | -58.1 | -60.8 | 0 | 0 | 0 | 111.7 | C730 I738 A757 L760 T761 Y805 I808 M809 L812 | C730-F734 HydrophobicContact CB-CD2 4.49Å; C730-F734 PolarHBondContact O-N 3.17Å; F734-I738 HydrophobicContact CB-CB 3.82Å; F734-I738 HydrophobicContact CB-CD1 3.98Å; F734-I738 HydrophobicContact CB-CG2 3.6Å; F734-I738 HydrophobicContact CG-CG2 4.2Å; F734-A757 HydrophobicContact CD1-CB 4.11Å; F734-A757 HydrophobicContact CD2-CB 3.98Å; F734-A757 HydrophobicContact CE1-CB 4.12Å; F734-A757 VanDerWaalsContact CE1-O 3.31Å; F734-A757 WeakPolarHBondContact CE1-O 3.42Å; F734-A757 HydrophobicContact CE2-CB 4Å; F734-A757 HydrophobicContact CG-CB 4.04Å; F734-A757 HydrophobicContact CZ-CB 4.06Å; F734-L760 HydrophobicContact CB-CD1 4.21Å; F734-L760 HydrophobicContact CD1-CB 3.91Å; F734-L760 HydrophobicContact CD1-CD1 3.97Å; F734-L760 HydrophobicContact CE1-CB 4.23Å; F734-T761 VanDerWaalsContact CE1-OG1 3.26Å; F734-T761 WeakPolarHBondContact CE1-OG1 3.38Å; F734-T761 WeakPolarHBondContact CZ-OG1 3.29Å; F734-Y805 HydrophobicContact CE1-CD1 4.13Å; F734-I808 HydrophobicContact CE2-CG2 4.16Å; F734-M809 HydrophobicContact CE2-SD 4.29Å; F734-M809 HydrophobicContact CZ-CB 4.43Å; F734-M809 HydrophobicContact CZ-SD 3.9Å; F734-L812 HydrophobicContact CD2-CD1 4.27Å; F734-L812 HydrophobicContact CE2-CD1 3.67Å |
| 735 | S | 84 | Confident | 77.7 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | trans | 178.3 | 178.2 | 163.5 | 72.2 | 0 | 0 | 0 | 0 | 109 | E737 I738 A739 | S735-E737 WeakPolarHBondContact CB-OE2 3.47Å; S735-E737 PolarHBondContact OG-N 3.41Å; S735-E737 PolarHBondContact OG-OE2 2.97Å; S735-I738 PolarHBondContact OG-N 3.42Å; S735-I738 VanDerWaalsContact OG-N 3.09Å; S735-A739 WeakPolarHBondContact O-CB 3.39Å; S735-A739 PolarHBondContact O-N 3.43Å | ||
| 736 | V | 76.5 | Confident | 78.2 | Confident | 72 Ų | 72 | 45.3 Ų | 45.3 | 44% | 0.436 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 169.7 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | V731 I738 A739 N740 | V731-V736 HydrophobicContact CG1-CG2 3.72Å; V736-I738 PolarHBondContact O-N 3.12Å; V736-A739 PolarHBondContact O-N 3.26Å; V736-N740 VanDerWaalsContact O-CB 3.29Å; V736-N740 WeakPolarHBondContact O-CB 3.41Å; V736-N740 PolarHBondContact O-N 3.4Å |
| 737 | E | 77.5 | Confident | 78.8 | Confident | 111 Ų | 111 | 45 Ų | 45 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | -179.5 | -50.8 | 85.4 | 167 | 0 | 0 | 112 | S735 G741 | S735-E737 WeakPolarHBondContact CB-OE2 3.47Å; S735-E737 PolarHBondContact OG-N 3.41Å; S735-E737 PolarHBondContact OG-OE2 2.97Å; E737-G741 PolarHBondContact O-N 3.5Å |
| 738 | I | 82.7 | Confident | 78.8 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74 | -36.7 | 176.7 | -66 | 171.8 | 0 | 0 | 0 | 110.8 | F734 S735 V736 G741 L742 A753 K756 A757 L760 | F734-I738 HydrophobicContact CB-CB 3.82Å; F734-I738 HydrophobicContact CB-CD1 3.98Å; F734-I738 HydrophobicContact CB-CG2 3.6Å; F734-I738 HydrophobicContact CG-CG2 4.2Å; S735-I738 PolarHBondContact OG-N 3.42Å; S735-I738 VanDerWaalsContact OG-N 3.09Å; V736-I738 PolarHBondContact O-N 3.12Å; I738-G741 PolarHBondContact O-N 3.28Å; I738-L742 HydrophobicContact CG2-CD1 4.05Å; I738-L742 HydrophobicContact CG2-CG 4.49Å; I738-L742 WeakPolarHBondContact O-CB 3.34Å; I738-L742 WeakPolarHBondContact O-CD1 3.44Å; I738-L742 WeakPolarHBondContact O-CG 3.23Å; I738-L742 PolarHBondContact O-N 3.44Å; I738-A753 HydrophobicContact CG2-CB 4.42Å; I738-K756 HydrophobicContact CD1-CB 3.92Å; I738-K756 HydrophobicContact CG1-CB 4.27Å; I738-A757 HydrophobicContact CG2-CB 3.99Å; I738-L760 HydrophobicContact CD1-CD1 3.43Å; I738-L760 VanDerWaalsContact CD1-CD1 3.43Å |
| 739 | A | 84.4 | Confident | 79 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y727 C730 V731 S735 V736 L742 I743 | Y727-A739 HydrophobicContact CD2-CB 4.15Å; Y727-A739 HydrophobicContact CE2-CB 3.62Å; C730-A739 HydrophobicContact CB-CB 4.42Å; V731-A739 HydrophobicContact CB-CB 4.31Å; V731-A739 HydrophobicContact CG2-CB 3.41Å; V731-A739 VanDerWaalsContact CG2-CB 3.41Å; S735-A739 WeakPolarHBondContact O-CB 3.39Å; S735-A739 PolarHBondContact O-N 3.43Å; V736-A739 PolarHBondContact O-N 3.26Å; A739-L742 PolarHBondContact O-N 2.84Å; A739-I743 PolarHBondContact O-N 3.11Å |
| 740 | N | 80.5 | Confident | 79.4 | Confident | 63 Ų | 63 | 42.9 Ų | 42.9 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 171.8 | -81.3 | -14.8 | 0 | 0 | 0 | 111 | Y727 V736 L742 I743 S744 | Y727-N740 PolarHBondContact OH-OD1 2.77Å; V736-N740 VanDerWaalsContact O-CB 3.29Å; V736-N740 WeakPolarHBondContact O-CB 3.41Å; V736-N740 PolarHBondContact O-N 3.4Å; N740-L742 VanDerWaalsContact C-N 3.3Å; N740-L742 PolarHBondContact O-N 3.26Å; N740-I743 CarbonylContact O-C 3.58Å; N740-I743 WeakPolarHBondContact O-CG1 3.25Å; N740-I743 PolarHBondContact O-N 3.42Å; N740-S744 PolarHBondContact O-N 2.86Å |
| 741 | G | 83.5 | Confident | 79.8 | Confident | 6 Ų | 6 | 45 Ų | 45 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E737 I738 I743 S744 R750 | E737-G741 PolarHBondContact O-N 3.5Å; I738-G741 PolarHBondContact O-N 3.28Å; G741-I743 PolarHBondContact O-N 2.88Å; G741-S744 WeakPolarHBondContact O-CB 3.04Å; G741-S744 PolarHBondContact O-N 3.35Å; G741-R750 WeakPolarHBondContact O-CA 3.26Å; G741-R750 WeakPolarHBondContact O-CG 3.33Å |
| 742 | L | 82.1 | Confident | 80 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13 | 175.9 | -75.1 | 168.4 | 0 | 0 | 0 | 115 | F724 I738 A739 N740 R750 A753 L754 A757 L812 L816 | F724-L742 HydrophobicContact CZ-CB 4.3Å; I738-L742 HydrophobicContact CG2-CD1 4.05Å; I738-L742 HydrophobicContact CG2-CG 4.49Å; I738-L742 WeakPolarHBondContact O-CB 3.34Å; I738-L742 WeakPolarHBondContact O-CD1 3.44Å; I738-L742 WeakPolarHBondContact O-CG 3.23Å; I738-L742 PolarHBondContact O-N 3.44Å; A739-L742 PolarHBondContact O-N 2.84Å; N740-L742 VanDerWaalsContact C-N 3.3Å; N740-L742 PolarHBondContact O-N 3.26Å; L742-R750 WeakPolarHBondContact O-CG 3.37Å; L742-A753 HydrophobicContact CD2-CB 4.22Å; L742-A753 HydrophobicContact CG-CB 3.89Å; L742-L754 HydrophobicContact CD2-CB 4.03Å; L742-A757 HydrophobicContact CD1-CB 4.43Å; L742-L812 HydrophobicContact CD1-CD1 3.67Å; L742-L812 HydrophobicContact CD1-CD2 3.96Å; L742-L812 HydrophobicContact CD1-CG 4.48Å; L742-L816 HydrophobicContact CD2-CD1 4.01Å |
| 743 | I | 81.1 | Confident | 80.7 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 6.2 | 171.8 | 66.1 | 168.5 | 0 | 0 | 0 | 112.9 | P722 P723 F724 Y727 A739 N740 G741 | P722-I743 HydrophobicContact CB-CD1 4.33Å; P723-I743 HydrophobicContact CG-CB 4.48Å; P723-I743 HydrophobicContact CG-CG2 4.1Å; F724-I743 HydrophobicContact CD1-CG2 4.27Å; F724-I743 HydrophobicContact CE1-CG2 3.47Å; F724-I743 VanDerWaalsContact CE1-CG2 3.47Å; F724-I743 HydrophobicContact CZ-CG2 3.87Å; Y727-I743 HydrophobicContact CD2-CD1 4.18Å; Y727-I743 HydrophobicContact CD2-CG2 4.11Å; Y727-I743 HydrophobicContact CE2-CD1 3.74Å; Y727-I743 HydrophobicContact CE2-CG1 4.3Å; Y727-I743 HydrophobicContact CE2-CG2 4.48Å; A739-I743 PolarHBondContact O-N 3.11Å; N740-I743 CarbonylContact O-C 3.58Å; N740-I743 WeakPolarHBondContact O-CG1 3.25Å; N740-I743 PolarHBondContact O-N 3.42Å; G741-I743 PolarHBondContact O-N 2.88Å |
| 744 | S | 78.2 | Confident | 81.4 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | trans | -59.5 | 138.7 | 180 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | N740 G741 D746 R750 | N740-S744 PolarHBondContact O-N 2.86Å; G741-S744 WeakPolarHBondContact O-CB 3.04Å; G741-S744 PolarHBondContact O-N 3.35Å; S744-D746 WeakPolarHBondContact CB-O 3.3Å; S744-D746 PolarHBondContact OG-N 3.23Å; S744-D746 PolarHBondContact OG-O 2.74Å; S744-R750 PolarHBondContact O-NE 2.91Å; S744-R750 PolarHBondContact O-NH2 2.75Å | ||
| 745 | C | 70.2 | Confident | 81.7 | Confident | 122 Ų | 122 | 48.5 Ų | 48.5 | 82% | 0.824 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -65.6 | -46.7 | 170.4 | -66.8 | 0 | 0 | 0 | 0 | 110.2 | W747 R750 | C745-W747 PolarHBondContact O-N 2.98Å; C745-R750 PolarHBondContact O-NH2 3.02Å |
| 746 | D | 75.5 | Confident | 81.9 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -55.5 | 117.9 | 166.6 | 171.3 | -8.4 | 0 | 0 | 0 | 110.1 | S744 T748 V749 R750 | S744-D746 WeakPolarHBondContact CB-O 3.3Å; S744-D746 PolarHBondContact OG-N 3.23Å; S744-D746 PolarHBondContact OG-O 2.74Å; D746-T748 WeakPolarHBondContact OD1-CA 3.24Å; D746-T748 VanDerWaalsContact OD1-CB 3.32Å; D746-T748 WeakPolarHBondContact OD1-CB 3.26Å; D746-T748 PolarHBondContact OD1-N 2.91Å; D746-T748 PolarHBondContact OD1-OG1 3.36Å; D746-T748 PolarHBondContact OD2-OG1 2.86Å; D746-V749 HydrophobicContact CB-CB 4.37Å; D746-V749 HydrophobicContact CB-CG2 4.36Å; D746-V749 PolarHBondContact OD1-N 3.34Å; D746-V749 VanDerWaalsContact OD2-CG2 3.22Å; D746-V749 WeakPolarHBondContact OD2-CG2 3.23Å; D746-R750 PolarHBondContact O-N 3.31Å |
| 747 | W | 81.2 | Confident | 82.5 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.8 | -28.1 | -177.3 | 77.8 | -98.8 | 0 | 0 | 0 | 113.1 | C745 V749 R750 Q751 V821 A823 I824 E1469 D1470 D1471 | C745-W747 PolarHBondContact O-N 2.98Å; W747-V749 VanDerWaalsContact C-N 3.34Å; W747-R750 CarbonylContact O-C 3.55Å; W747-R750 WeakPolarHBondContact O-CA 3.44Å; W747-R750 WeakPolarHBondContact O-CB 3.2Å; W747-R750 PolarHBondContact O-N 3Å; W747-R750 VanDerWaalsContact O-N 3.16Å; W747-Q751 HydrophobicContact CE3-CB 4.17Å; W747-Q751 HydrophobicContact CZ3-CB 4.2Å; W747-Q751 WeakPolarHBondContact O-CB 3.08Å; W747-Q751 PolarHBondContact O-N 3.09Å; W747-V821 HydrophobicContact CB-CB 4.4Å; W747-V821 HydrophobicContact CB-CG1 3.99Å; W747-V821 HydrophobicContact CB-CG2 3.74Å; W747-V821 HydrophobicContact CD2-CG1 3.81Å; W747-V821 HydrophobicContact CE3-CG1 3.73Å; W747-V821 HydrophobicContact CG-CG1 3.93Å; W747-V821 HydrophobicContact CG-CG2 4.27Å; W747-V821 HydrophobicContact CZ3-CG1 4.5Å; W747-A823 HydrophobicContact CE3-CB 4.07Å; W747-A823 HydrophobicContact CH2-CB 4.03Å; W747-A823 HydrophobicContact CZ3-CB 3.41Å; W747-A823 VanDerWaalsContact CZ3-CB 3.41Å; W747-I824 HydrophobicContact CB-CD1 3.95Å; W747-I824 HydrophobicContact CE3-CG1 4.47Å; W747-E1469 WeakPolarHBondContact CZ2-O 3.42Å; W747-D1470 HydrophobicContact CD2-CB 4.43Å; W747-D1470 HydrophobicContact CZ2-CB 4.34Å; W747-D1470 WeakPolarHBondContact CZ2-O 3.21Å; W747-D1470 PolarHBondContact NE1-O 3.29Å; W747-D1470 VanDerWaalsContact NE1-O 3.15Å; W747-D1471 VanDerWaalsContact CD1-OD2 3.26Å; W747-D1471 VanDerWaalsContact NE1-N 3.13Å |
| 748 | T | 74.5 | Confident | 83 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 41% | 0.405 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67 | -41.2 | 179.6 | 74.9 | 0 | 0 | 0 | 0 | 109.9 | D746 R750 Q751 Y752 | D746-T748 WeakPolarHBondContact OD1-CA 3.24Å; D746-T748 VanDerWaalsContact OD1-CB 3.32Å; D746-T748 WeakPolarHBondContact OD1-CB 3.26Å; D746-T748 PolarHBondContact OD1-N 2.91Å; D746-T748 PolarHBondContact OD1-OG1 3.36Å; D746-T748 PolarHBondContact OD2-OG1 2.86Å; T748-R750 VanDerWaalsContact C-N 3.35Å; T748-Q751 PolarHBondContact O-N 3.3Å; T748-Y752 WeakPolarHBondContact O-CB 3.04Å; T748-Y752 PolarHBondContact O-N 3.38Å |
| 749 | V | 79.6 | Confident | 83.2 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 32% | 0.321 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 171.4 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | D746 W747 Y752 A753 | D746-V749 HydrophobicContact CB-CB 4.37Å; D746-V749 HydrophobicContact CB-CG2 4.36Å; D746-V749 PolarHBondContact OD1-N 3.34Å; D746-V749 VanDerWaalsContact OD2-CG2 3.22Å; D746-V749 WeakPolarHBondContact OD2-CG2 3.23Å; W747-V749 VanDerWaalsContact C-N 3.34Å; V749-Y752 PolarHBondContact O-N 3.46Å; V749-A753 VanDerWaalsContact O-CB 3.3Å; V749-A753 WeakPolarHBondContact O-CB 3.29Å; V749-A753 PolarHBondContact O-N 2.77Å |
| 750 | R | 85.4 | Confident | 83.3 | Confident | 33 Ų | 33 | 51 Ų | 51 | 13% | 0.125 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 176.6 | -141.6 | -170.5 | -48.4 | 139.3 | 8.9 | 112.3 | G741 L742 S744 C745 D746 W747 T748 L754 D819 I824 | G741-R750 WeakPolarHBondContact O-CA 3.26Å; G741-R750 WeakPolarHBondContact O-CG 3.33Å; L742-R750 WeakPolarHBondContact O-CG 3.37Å; S744-R750 PolarHBondContact O-NE 2.91Å; S744-R750 PolarHBondContact O-NH2 2.75Å; C745-R750 PolarHBondContact O-NH2 3.02Å; D746-R750 PolarHBondContact O-N 3.31Å; W747-R750 CarbonylContact O-C 3.55Å; W747-R750 WeakPolarHBondContact O-CA 3.44Å; W747-R750 WeakPolarHBondContact O-CB 3.2Å; W747-R750 PolarHBondContact O-N 3Å; W747-R750 VanDerWaalsContact O-N 3.16Å; T748-R750 VanDerWaalsContact C-N 3.35Å; R750-L754 WeakPolarHBondContact O-CB 3.33Å; R750-L754 PolarHBondContact O-N 3.02Å; R750-D819 IonicContact CZ-OD2 3.77Å; R750-D819 IonicContact NH1-OD1 3.85Å; R750-D819 PolarHBondContact NH1-OD1 3.44Å; R750-D819 IonicContact NH1-OD2 2.66Å; R750-D819 PolarHBondContact NH1-OD2 3.26Å; R750-I824 HydrophobicContact CB-CD1 3.75Å; R750-I824 HydrophobicContact CG-CD1 4.19Å |
| 751 | Q | 85.7 | Confident | 83.5 | Confident | 43 Ų | 43 | 48 Ų | 48 | 20% | 0.201 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -47.9 | 173.8 | -169.3 | -162.2 | 22.1 | 0 | 0 | 111.2 | W747 T748 A753 L754 Q755 I824 D827 | W747-Q751 HydrophobicContact CE3-CB 4.17Å; W747-Q751 HydrophobicContact CZ3-CB 4.2Å; W747-Q751 WeakPolarHBondContact O-CB 3.08Å; W747-Q751 PolarHBondContact O-N 3.09Å; T748-Q751 PolarHBondContact O-N 3.3Å; Q751-A753 VanDerWaalsContact C-N 3.31Å; Q751-A753 PolarHBondContact O-N 2.85Å; Q751-L754 WeakPolarHBondContact O-CB 3.49Å; Q751-L754 PolarHBondContact O-N 2.7Å; Q751-Q755 WeakPolarHBondContact O-CG 3.3Å; Q751-Q755 PolarHBondContact O-N 3.47Å; Q751-I824 HydrophobicContact CB-CG1 4.24Å; Q751-D827 VanDerWaalsContact CG-OD2 3.23Å; Q751-D827 WeakPolarHBondContact CG-OD2 3.39Å; Q751-D827 PolarHBondContact NE2-OD2 2.95Å |
| 752 | Y | 84.1 | Confident | 83.5 | Confident | 118 Ų | 118 | 48.6 Ų | 48.6 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 176.9 | -179.6 | -99.1 | 0 | 0 | 0 | 111.6 | T748 V749 Q755 K756 | T748-Y752 WeakPolarHBondContact O-CB 3.04Å; T748-Y752 PolarHBondContact O-N 3.38Å; V749-Y752 PolarHBondContact O-N 3.46Å; Y752-Q755 PolarHBondContact O-N 3.22Å; Y752-K756 HydrophobicContact CD1-CG 4.17Å; Y752-K756 HydrophobicContact CE1-CD 4.45Å; Y752-K756 HydrophobicContact CE1-CG 3.97Å; Y752-K756 WeakPolarHBondContact O-CB 3.27Å; Y752-K756 VanDerWaalsContact O-CG 3.23Å; Y752-K756 WeakPolarHBondContact O-CG 3.47Å; Y752-K756 PolarHBondContact O-N 3.46Å; Y752-K756 WeakPolarHBondContact OH-CE 3.35Å; Y752-K756 PolarHBondContact OH-NZ 3.17Å |
| 753 | A | 87.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I738 L742 V749 Q751 K756 A757 | I738-A753 HydrophobicContact CG2-CB 4.42Å; L742-A753 HydrophobicContact CD2-CB 4.22Å; L742-A753 HydrophobicContact CG-CB 3.89Å; V749-A753 VanDerWaalsContact O-CB 3.3Å; V749-A753 WeakPolarHBondContact O-CB 3.29Å; V749-A753 PolarHBondContact O-N 2.77Å; Q751-A753 VanDerWaalsContact C-N 3.31Å; Q751-A753 PolarHBondContact O-N 2.85Å; A753-K756 PolarHBondContact O-N 3.12Å; A753-A757 WeakPolarHBondContact O-CB 3.23Å; A753-A757 PolarHBondContact O-N 2.8Å |
| 754 | L | 91.7 | Very high | 83.2 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 171.8 | 169.1 | 57.3 | 0 | 0 | 0 | 112.3 | L742 R750 Q751 K756 A757 T758 M809 L816 I824 D827 A828 | L742-L754 HydrophobicContact CD2-CB 4.03Å; R750-L754 WeakPolarHBondContact O-CB 3.33Å; R750-L754 PolarHBondContact O-N 3.02Å; Q751-L754 WeakPolarHBondContact O-CB 3.49Å; Q751-L754 PolarHBondContact O-N 2.7Å; L754-K756 PolarHBondContact O-N 3.23Å; L754-A757 PolarHBondContact O-N 2.71Å; L754-T758 WeakPolarHBondContact O-CB 3.21Å; L754-T758 PolarHBondContact O-N 2.91Å; L754-T758 PolarHBondContact O-OG1 2.74Å; L754-M809 HydrophobicContact CD1-CE 3.64Å; L754-L816 HydrophobicContact CD1-CD1 3.79Å; L754-L816 HydrophobicContact CD2-CD1 4.2Å; L754-L816 HydrophobicContact CG-CD1 4.39Å; L754-I824 HydrophobicContact CD2-CG2 4.01Å; L754-D827 HydrophobicContact CD2-CB 3.78Å; L754-D827 HydrophobicContact CG-CB 4.35Å; L754-A828 HydrophobicContact CD2-CB 4.32Å |
| 755 | Q | 90.1 | Very high | 83 | Confident | 88 Ų | 88 | 50 Ų | 50 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 175.6 | -69.5 | 178.3 | 12.1 | 0 | 0 | 111.5 | Q751 Y752 T758 H759 D827 | Q751-Q755 WeakPolarHBondContact O-CG 3.3Å; Q751-Q755 PolarHBondContact O-N 3.47Å; Y752-Q755 PolarHBondContact O-N 3.22Å; Q755-T758 PolarHBondContact O-N 2.96Å; Q755-H759 WeakPolarHBondContact O-CB 3.46Å; Q755-H759 PolarHBondContact O-N 2.72Å; Q755-D827 PolarHBondContact NE2-OD2 3.42Å |
| 756 | K | 87 | Confident | 83.1 | Confident | 89 Ų | 89 | 46.4 Ų | 46.4 | 39% | 0.387 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64 | -48.7 | 175 | -72.9 | -77.6 | -174.4 | 163.5 | 0 | 112.6 | I738 Y752 A753 L754 T758 H759 L760 | I738-K756 HydrophobicContact CD1-CB 3.92Å; I738-K756 HydrophobicContact CG1-CB 4.27Å; Y752-K756 HydrophobicContact CD1-CG 4.17Å; Y752-K756 HydrophobicContact CE1-CD 4.45Å; Y752-K756 HydrophobicContact CE1-CG 3.97Å; Y752-K756 WeakPolarHBondContact O-CB 3.27Å; Y752-K756 VanDerWaalsContact O-CG 3.23Å; Y752-K756 WeakPolarHBondContact O-CG 3.47Å; Y752-K756 PolarHBondContact O-N 3.46Å; Y752-K756 WeakPolarHBondContact OH-CE 3.35Å; Y752-K756 PolarHBondContact OH-NZ 3.17Å; A753-K756 PolarHBondContact O-N 3.12Å; L754-K756 PolarHBondContact O-N 3.23Å; K756-T758 VanDerWaalsContact C-N 3.28Å; K756-T758 PolarHBondContact O-N 3.19Å; K756-H759 PolarHBondContact O-N 3.03Å; K756-L760 WeakPolarHBondContact O-CG 3.44Å; K756-L760 PolarHBondContact O-N 3.45Å |
| 757 | A | 89.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F734 I738 L742 A753 L754 T761 M809 | F734-A757 HydrophobicContact CD1-CB 4.11Å; F734-A757 HydrophobicContact CD2-CB 3.98Å; F734-A757 HydrophobicContact CE1-CB 4.12Å; F734-A757 VanDerWaalsContact CE1-O 3.31Å; F734-A757 WeakPolarHBondContact CE1-O 3.42Å; F734-A757 HydrophobicContact CE2-CB 4Å; F734-A757 HydrophobicContact CG-CB 4.04Å; F734-A757 HydrophobicContact CZ-CB 4.06Å; I738-A757 HydrophobicContact CG2-CB 3.99Å; L742-A757 HydrophobicContact CD1-CB 4.43Å; A753-A757 WeakPolarHBondContact O-CB 3.23Å; A753-A757 PolarHBondContact O-N 2.8Å; L754-A757 PolarHBondContact O-N 2.71Å; A757-T761 WeakPolarHBondContact O-CB 3.43Å; A757-T761 PolarHBondContact O-N 3Å; A757-T761 PolarHBondContact O-OG1 3.34Å; A757-M809 HydrophobicContact CB-CE 4.09Å; A757-M809 HydrophobicContact CB-SD 3.79Å |
| 758 | T | 89.1 | Confident | 82 | Confident | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -49.4 | 173.7 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | L754 Q755 K756 L760 T761 I762 M809 A831 | L754-T758 WeakPolarHBondContact O-CB 3.21Å; L754-T758 PolarHBondContact O-N 2.91Å; L754-T758 PolarHBondContact O-OG1 2.74Å; Q755-T758 PolarHBondContact O-N 2.96Å; K756-T758 VanDerWaalsContact C-N 3.28Å; K756-T758 PolarHBondContact O-N 3.19Å; T758-L760 PolarHBondContact O-N 2.87Å; T758-T761 PolarHBondContact O-N 2.86Å; T758-I762 HydrophobicContact CG2-CD1 3.9Å; T758-I762 WeakPolarHBondContact O-CG1 3.35Å; T758-I762 PolarHBondContact O-N 3.09Å; T758-M809 WeakPolarHBondContact OG1-CE 3.19Å; T758-A831 HydrophobicContact CG2-CB 3.63Å; T758-A831 VanDerWaalsContact OG1-CB 3.31Å; T758-A831 WeakPolarHBondContact OG1-CB 3.33Å |
| 759 | H | 85.8 | Confident | 81.5 | Confident | 126 Ų | 126 | 49.5 Ų | 49.5 | 58% | 0.583 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.8 | -42.7 | 179.5 | -176.4 | -81.8 | 0 | 0 | 0 | 112.6 | Q755 K756 S763 | Q755-H759 WeakPolarHBondContact O-CB 3.46Å; Q755-H759 PolarHBondContact O-N 2.72Å; K756-H759 PolarHBondContact O-N 3.03Å; H759-S763 WeakPolarHBondContact O-CB 3.47Å; H759-S763 PolarHBondContact O-N 2.98Å; H759-S763 PolarHBondContact O-OG 3.18Å |
| 760 | L | 86 | Confident | 80.7 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 174.7 | -72 | 176.9 | 0 | 0 | 0 | 111.2 | F734 I738 K756 T758 I762 S763 Q764 | F734-L760 HydrophobicContact CB-CD1 4.21Å; F734-L760 HydrophobicContact CD1-CB 3.91Å; F734-L760 HydrophobicContact CD1-CD1 3.97Å; F734-L760 HydrophobicContact CE1-CB 4.23Å; I738-L760 HydrophobicContact CD1-CD1 3.43Å; I738-L760 VanDerWaalsContact CD1-CD1 3.43Å; K756-L760 WeakPolarHBondContact O-CG 3.44Å; K756-L760 PolarHBondContact O-N 3.45Å; T758-L760 PolarHBondContact O-N 2.87Å; L760-I762 PolarHBondContact O-N 3.46Å; L760-S763 WeakPolarHBondContact O-CB 3.5Å; L760-S763 PolarHBondContact O-N 3.29Å; L760-Q764 WeakPolarHBondContact O-CG 3.36Å; L760-Q764 PolarHBondContact O-N 2.85Å |
| 761 | T | 85.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.1 | -53.3 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | F734 A757 T758 S763 Q764 V765 V806 M809 L835 | F734-T761 VanDerWaalsContact CE1-OG1 3.26Å; F734-T761 WeakPolarHBondContact CE1-OG1 3.38Å; F734-T761 WeakPolarHBondContact CZ-OG1 3.29Å; A757-T761 WeakPolarHBondContact O-CB 3.43Å; A757-T761 PolarHBondContact O-N 3Å; A757-T761 PolarHBondContact O-OG1 3.34Å; T758-T761 PolarHBondContact O-N 2.86Å; T761-S763 VanDerWaalsContact C-N 3.31Å; T761-S763 PolarHBondContact O-N 2.87Å; T761-Q764 PolarHBondContact O-N 2.74Å; T761-Q764 VanDerWaalsContact O-N 3.15Å; T761-V765 HydrophobicContact CG2-CG2 4.45Å; T761-V765 WeakPolarHBondContact O-CG2 3.44Å; T761-V765 PolarHBondContact O-N 2.81Å; T761-V806 HydrophobicContact CG2-CB 4.46Å; T761-V806 HydrophobicContact CG2-CG2 3.75Å; T761-M809 HydrophobicContact CG2-CB 3.95Å; T761-M809 HydrophobicContact CG2-CG 4.21Å; T761-L835 HydrophobicContact CG2-CD2 3.55Å |
| 762 | I | 83 | Confident | 77.7 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -40 | -180 | -69.5 | 171.4 | 0 | 0 | 0 | 111.3 | T758 L760 Q764 V765 I766 E834 L835 Y838 | T758-I762 HydrophobicContact CG2-CD1 3.9Å; T758-I762 WeakPolarHBondContact O-CG1 3.35Å; T758-I762 PolarHBondContact O-N 3.09Å; L760-I762 PolarHBondContact O-N 3.46Å; I762-Q764 VanDerWaalsContact C-N 3.35Å; I762-Q764 PolarHBondContact O-N 3.02Å; I762-V765 PolarHBondContact O-N 3.19Å; I762-I766 HydrophobicContact CG2-CD1 3.75Å; I762-I766 HydrophobicContact CG2-CG1 4.46Å; I762-I766 VanDerWaalsContact O-CG1 3.26Å; I762-I766 WeakPolarHBondContact O-CG1 3.33Å; I762-I766 PolarHBondContact O-N 2.88Å; I762-E834 HydrophobicContact CD1-CB 4.04Å; I762-E834 VanDerWaalsContact CD1-OE2 3.22Å; I762-E834 WeakPolarHBondContact CD1-OE2 3.09Å; I762-L835 HydrophobicContact CG1-CD2 3.96Å; I762-Y838 HydrophobicContact CD1-CE2 4.4Å; I762-Y838 HydrophobicContact CG1-CE2 4.26Å; I762-Y838 HydrophobicContact CG2-CE1 4.48Å; I762-Y838 HydrophobicContact CG2-CE2 3.91Å |
| 763 | S | 80.2 | Confident | 75.6 | Confident | 40 Ų | 40 | 55 Ų | 55 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | H759 L760 T761 I766 L767 | H759-S763 WeakPolarHBondContact O-CB 3.47Å; H759-S763 PolarHBondContact O-N 2.98Å; H759-S763 PolarHBondContact O-OG 3.18Å; L760-S763 WeakPolarHBondContact O-CB 3.5Å; L760-S763 PolarHBondContact O-N 3.29Å; T761-S763 VanDerWaalsContact C-N 3.31Å; T761-S763 PolarHBondContact O-N 2.87Å; S763-I766 PolarHBondContact O-N 2.92Å; S763-L767 WeakPolarHBondContact O-CG 3.38Å; S763-L767 PolarHBondContact O-N 3.14Å |
| 764 | Q | 77.8 | Confident | 73.4 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 177.5 | -65.7 | -71.3 | 17.2 | 0 | 0 | 113.1 | L760 T761 I762 I766 L767 A768 Y805 | L760-Q764 WeakPolarHBondContact O-CG 3.36Å; L760-Q764 PolarHBondContact O-N 2.85Å; T761-Q764 PolarHBondContact O-N 2.74Å; T761-Q764 VanDerWaalsContact O-N 3.15Å; I762-Q764 VanDerWaalsContact C-N 3.35Å; I762-Q764 PolarHBondContact O-N 3.02Å; Q764-I766 VanDerWaalsContact C-N 3.31Å; Q764-I766 PolarHBondContact O-N 3.25Å; Q764-L767 PolarHBondContact O-N 3.33Å; Q764-A768 VanDerWaalsContact O-CB 3.3Å; Q764-A768 WeakPolarHBondContact O-CB 3.41Å; Q764-A768 PolarHBondContact O-N 3.18Å; Q764-Y805 HydrophobicContact CB-CD1 4.26Å; Q764-Y805 HydrophobicContact CB-CD2 3.98Å; Q764-Y805 HydrophobicContact CB-CE1 4.46Å; Q764-Y805 HydrophobicContact CB-CE2 4.22Å; Q764-Y805 HydrophobicContact CB-CG 4Å; Q764-Y805 HydrophobicContact CG-CD1 3.88Å; Q764-Y805 HydrophobicContact CG-CD2 4.08Å; Q764-Y805 HydrophobicContact CG-CE1 3.65Å; Q764-Y805 HydrophobicContact CG-CE2 3.88Å; Q764-Y805 HydrophobicContact CG-CG 4.08Å; Q764-Y805 PolarHBondContact NE2-OH 2.81Å; Q764-Y805 VanDerWaalsContact NE2-OH 3.12Å |
| 765 | V | 73.6 | Confident | 70.6 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 171.8 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | T761 I762 R769 V806 Y838 Y842 | T761-V765 HydrophobicContact CG2-CG2 4.45Å; T761-V765 WeakPolarHBondContact O-CG2 3.44Å; T761-V765 PolarHBondContact O-N 2.81Å; I762-V765 PolarHBondContact O-N 3.19Å; V765-R769 WeakPolarHBondContact O-CB 3.36Å; V765-R769 PolarHBondContact O-N 2.8Å; V765-V806 HydrophobicContact CG2-CG2 3.44Å; V765-V806 VanDerWaalsContact CG2-CG2 3.44Å; V765-Y838 HydrophobicContact CG1-CD1 4.16Å; V765-Y838 HydrophobicContact CG1-CG 4.32Å; V765-Y842 HydrophobicContact CG1-CE2 3.77Å; V765-Y842 WeakPolarHBondContact CG1-OH 3.24Å; V765-Y842 WeakPolarHBondContact CG2-OH 3.37Å |
| 766 | I | 71.5 | Confident | 67.8 | Low | 47 Ų | 47 | 66.3 Ų | 66.3 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71 | -39.6 | 179.4 | -64.9 | 166.7 | 0 | 0 | 0 | 111 | I762 S763 Q764 R769 Q770 Y838 | I762-I766 HydrophobicContact CG2-CD1 3.75Å; I762-I766 HydrophobicContact CG2-CG1 4.46Å; I762-I766 VanDerWaalsContact O-CG1 3.26Å; I762-I766 WeakPolarHBondContact O-CG1 3.33Å; I762-I766 PolarHBondContact O-N 2.88Å; S763-I766 PolarHBondContact O-N 2.92Å; Q764-I766 VanDerWaalsContact C-N 3.31Å; Q764-I766 PolarHBondContact O-N 3.25Å; I766-R769 WeakPolarHBondContact O-CB 3.29Å; I766-R769 PolarHBondContact O-N 2.88Å; I766-Q770 PolarHBondContact O-N 2.9Å; I766-Q770 VanDerWaalsContact O-N 3.08Å; I766-Y838 HydrophobicContact CD1-CE1 4.11Å; I766-Y838 HydrophobicContact CG1-CE1 3.83Å |
| 767 | L | 69.2 | Low | 65.1 | Low | 79 Ų | 79 | 69.9 Ų | 69.9 | 41% | 0.414 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 174.5 | -72.9 | 168.6 | 0 | 0 | 0 | 111.4 | S763 Q764 R769 Q770 C771 | S763-L767 WeakPolarHBondContact O-CG 3.38Å; S763-L767 PolarHBondContact O-N 3.14Å; Q764-L767 PolarHBondContact O-N 3.33Å; L767-R769 PolarHBondContact O-N 2.84Å; L767-Q770 WeakPolarHBondContact O-CA 3.29Å; L767-Q770 WeakPolarHBondContact O-CB 3.46Å; L767-Q770 PolarHBondContact O-N 2.8Å; L767-C771 PolarHBondContact O-N 3.19Å; L767-C771 PolarHBondContact O-SG 3.45Å; L767-C771 VanDerWaalsContact O-SG 3.37Å |
| 768 | A | 65.6 | Low | 62.2 | Low | 22 Ų | 22 | 76.8 Ų | 76.8 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57.9 | -35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q764 C771 N772 | Q764-A768 VanDerWaalsContact O-CB 3.3Å; Q764-A768 WeakPolarHBondContact O-CB 3.41Å; Q764-A768 PolarHBondContact O-N 3.18Å; A768-C771 PolarHBondContact O-N 2.99Å; A768-N772 WeakPolarHBondContact O-CB 3.31Å; A768-N772 VanDerWaalsContact O-CG 3.32Å; A768-N772 PolarHBondContact O-N 3.39Å; A768-N772 PolarHBondContact O-ND2 2.9Å |
| 769 | R | 63.8 | Low | 59.2 | Low | 141 Ų | 141 | 83.5 Ų | 83.5 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.6 | -33.5 | 172.2 | -176.8 | 178.9 | 174.6 | -172.3 | -3.2 | 112.9 | V765 I766 L767 L773 | V765-R769 WeakPolarHBondContact O-CB 3.36Å; V765-R769 PolarHBondContact O-N 2.8Å; I766-R769 WeakPolarHBondContact O-CB 3.29Å; I766-R769 PolarHBondContact O-N 2.88Å; L767-R769 PolarHBondContact O-N 2.84Å; R769-L773 WeakPolarHBondContact O-CD1 3.4Å; R769-L773 WeakPolarHBondContact O-CG 3.37Å; R769-L773 PolarHBondContact O-N 3.36Å |
| 770 | Q | 63.2 | Low | 56.4 | Low | 59 Ų | 59 | 85.7 Ų | 85.7 | 28% | 0.276 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.7 | -45.9 | 172.4 | -70.5 | -170.9 | -100.6 | 0 | 0 | 111.6 | I766 L767 N772 L773 H774 R1644 | I766-Q770 PolarHBondContact O-N 2.9Å; I766-Q770 VanDerWaalsContact O-N 3.08Å; L767-Q770 WeakPolarHBondContact O-CA 3.29Å; L767-Q770 WeakPolarHBondContact O-CB 3.46Å; L767-Q770 PolarHBondContact O-N 2.8Å; Q770-N772 VanDerWaalsContact C-N 3.31Å; Q770-N772 PolarHBondContact O-N 3Å; Q770-L773 WeakPolarHBondContact O-CA 3.29Å; Q770-L773 WeakPolarHBondContact O-CB 3.5Å; Q770-L773 PolarHBondContact O-N 3.22Å; Q770-H774 PolarHBondContact O-CD2 3.1Å; Q770-H774 VanDerWaalsContact O-CD2 3.28Å; Q770-H774 PolarHBondContact O-N 3.25Å; Q770-R1644 VanDerWaalsContact OE1-CZ 3.23Å |
| 771 | C | 54.7 | Low | 53.7 | Low | 82 Ų | 82 | 88.5 Ų | 88.5 | 55% | 0.554 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.2 | -45 | 178.2 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | L767 A768 L773 H774 S775 | L767-C771 PolarHBondContact O-N 3.19Å; L767-C771 PolarHBondContact O-SG 3.45Å; L767-C771 VanDerWaalsContact O-SG 3.37Å; A768-C771 PolarHBondContact O-N 2.99Å; C771-L773 PolarHBondContact O-N 2.77Å; C771-L773 VanDerWaalsContact O-N 3.14Å; C771-H774 PolarHBondContact O-N 3.29Å; C771-S775 PolarHBondContact O-N 2.83Å; C771-S775 VanDerWaalsContact O-N 3.09Å |
| 772 | N | 52.4 | Low | 50.8 | Low | 120 Ų | 120 | 91.8 Ų | 91.8 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.1 | -4.8 | 175.7 | -69.9 | -12.5 | 0 | 0 | 0 | 114.7 | A768 Q770 | A768-N772 WeakPolarHBondContact O-CB 3.31Å; A768-N772 VanDerWaalsContact O-CG 3.32Å; A768-N772 PolarHBondContact O-N 3.39Å; A768-N772 PolarHBondContact O-ND2 2.9Å; Q770-N772 VanDerWaalsContact C-N 3.31Å; Q770-N772 PolarHBondContact O-N 3Å |
| 773 | L | 39.1 | Very low | 48.1 | Very low | 101 Ų | 101 | 96.5 Ų | 96.5 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -99.7 | -13.2 | 170.1 | -76.2 | 167.1 | 0 | 0 | 0 | 112.8 | R769 Q770 C771 | R769-L773 WeakPolarHBondContact O-CD1 3.4Å; R769-L773 WeakPolarHBondContact O-CG 3.37Å; R769-L773 PolarHBondContact O-N 3.36Å; Q770-L773 WeakPolarHBondContact O-CA 3.29Å; Q770-L773 WeakPolarHBondContact O-CB 3.5Å; Q770-L773 PolarHBondContact O-N 3.22Å; C771-L773 PolarHBondContact O-N 2.77Å; C771-L773 VanDerWaalsContact O-N 3.14Å |
| 774 | H | 42 | Very low | 45.6 | Very low | 137 Ų | 137 | 102.4 Ų | 102.4 | 63% | 0.634 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -108.1 | -7.6 | 178.2 | -72.7 | -71.8 | 0 | 0 | 0 | 113.7 | Q770 C771 S776 H777 | Q770-H774 PolarHBondContact O-CD2 3.1Å; Q770-H774 VanDerWaalsContact O-CD2 3.28Å; Q770-H774 PolarHBondContact O-N 3.25Å; C771-H774 PolarHBondContact O-N 3.29Å; H774-S776 PolarHBondContact O-N 3.2Å; H774-H777 PolarHBondContact O-N 2.98Å |
| 775 | S | 34.3 | Very low | 43.2 | Very low | 92 Ų | 92 | 106.3 Ų | 106.3 | 64% | 0.643 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 36.4 | -177.6 | 68.5 | 0 | 0 | 0 | 0 | 115 | C771 | C771-S775 PolarHBondContact O-N 2.83Å; C771-S775 VanDerWaalsContact O-N 3.09Å |
| 776 | S | 31 | Very low | 41.2 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 3.3 | 166.7 | 69 | 0 | 0 | 0 | 0 | 112.8 | H774 | H774-S776 PolarHBondContact O-N 3.2Š|
| 777 | H | 30.6 | Very low | 39.2 | Very low | 164 Ų | 164 | 121 Ų | 121 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -128.3 | 151.6 | 167.6 | -76.5 | -90.2 | 0 | 0 | 0 | 110.3 | H774 | H774-H777 PolarHBondContact O-N 2.98Š|
| 778 | N | 27.3 | Very low | 37.3 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 78% | 0.781 | 67% | 0.669 | S | S | * | * | trans | -85.1 | 160.7 | -166.9 | -62.7 | -34.3 | 0 | 0 | 0 | 113.7 | ||||
| 779 | N | 27.9 | Very low | 35.5 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | 61 | 64.4 | 152.4 | -59.6 | -3.6 | 0 | 0 | 0 | 118.9 | ||||
| 780 | L | 26.5 | Very low | 33.7 | Very low | 173 Ų | 173 | 128 Ų | 128 | 91% | 0.906 | 71% | 0.712 | S | S | * | * | trans | -144.2 | 112.8 | 149.5 | -99.2 | 122.8 | 0 | 0 | 0 | 111.1 | ||||
| 781 | V | 28.4 | Very low | 32 | Very low | 120 Ų | 120 | 131 Ų | 131 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -131.4 | 132.4 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | L799 | V781-L799 HydrophobicContact CG1-CD1 4.14Š| ||
| 782 | C | 25.6 | Very low | 30.6 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 47% | 0.466 | 74% | 0.743 | S | S | . | * | trans | 46.4 | 94.8 | 171.4 | -65 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 783 | S | 25.5 | Very low | 29.4 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -150.2 | 76.4 | 156.1 | -73.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 784 | L | 27 | Very low | 28.8 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -170.2 | 136.4 | 164.9 | -106.7 | 160.9 | 0 | 0 | 0 | 108.8 | ||||
| 785 | N | 28.5 | Very low | 28.2 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | 76.6 | 88.8 | -176.7 | -52.8 | -4 | 0 | 0 | 0 | 116.4 | ||||
| 786 | H | 31.6 | Very low | 27.9 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -172 | 109.6 | 106.8 | -101.4 | -75.7 | 0 | 0 | 0 | 110 | |||||
| 787 | H | 28.6 | Very low | 27.6 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | -78.4 | 106.3 | 142.4 | -98.1 | -86 | 0 | 0 | 0 | 105.1 | ||||
| 788 | D | 30.7 | Very low | 27.5 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 169.6 | 146.5 | 147 | -84.2 | -23 | 0 | 0 | 0 | 108.2 | ||
| 789 | G | 26 | Very low | 27.8 | Very low | 69 Ų | 69 | 131.4 Ų | 131.4 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -73.9 | 166.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 790 | N | 26.9 | Very low | 28.6 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 91% | 0.914 | 74% | 0.739 | S | S | * | * | trans | 70.2 | 77.9 | 167.1 | -56.8 | -22.8 | 0 | 0 | 0 | 118.2 | ||||
| 791 | C | 26.6 | Very low | 30 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | trans | -146.4 | 122.4 | 135.6 | -171 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 792 | A | 26.3 | Very low | 31.6 | Very low | 79 Ų | 79 | 119.1 Ų | 119.1 | 65% | 0.653 | 69% | 0.686 | S | S | * | * | trans | -83.1 | 166.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 793 | T | 27.6 | Very low | 33.6 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 61% | 0.607 | 67% | 0.673 | S | S | * | * | trans | 72.4 | 114.8 | 173.9 | 72.8 | 0 | 0 | 0 | 0 | 116.8 | A795 | T793-A795 PolarHBondContact O-N 3.26Š| ||
| 794 | P | 26.4 | Very low | 35.9 | Very low | 135 Ų | 135 | 113.6 Ų | 113.6 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -65.1 | 0.2 | 175.7 | -24.9 | 35.7 | 0 | 0 | 0 | 116.6 | K796 | P794-K796 PolarHBondContact O-N 2.96Š|
| 795 | A | 28.2 | Very low | 38.3 | Very low | 93 Ų | 93 | 107.3 Ų | 107.3 | 77% | 0.769 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -79.5 | -9.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T793 | T793-A795 PolarHBondContact O-N 3.26Š|
| 796 | K | 28.1 | Very low | 40.8 | Very low | 171 Ų | 171 | 100.7 Ų | 100.7 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -101.2 | -2 | -176.1 | -77.6 | -179.1 | 177.8 | 172.9 | 0 | 115.4 | P794 Q798 | P794-K796 PolarHBondContact O-N 2.96Å; K796-Q798 PolarHBondContact O-N 3.12Å |
| 797 | C | 24.4 | Very low | 43.2 | Very low | 92 Ų | 92 | 97.2 Ų | 97.2 | 62% | 0.622 | 56% | 0.557 | S | S | * | * | trans | -78.2 | 53.6 | -177 | -162.9 | 0 | 0 | 0 | 0 | 113.4 | L799 | C797-L799 PolarHBondContact O-N 2.89Š| ||
| 798 | Q | 29.6 | Very low | 45.8 | Very low | 167 Ų | 167 | 89 Ų | 89 | 78% | 0.78 | 52% | 0.519 | S | S | * | . | trans | -72.3 | 95.1 | 164 | -70.7 | -170.8 | -1.1 | 0 | 0 | 108.5 | K796 Y800 | K796-Q798 PolarHBondContact O-N 3.12Å; Q798-Y800 PolarHBondContact O-N 3.21Å | ||
| 799 | L | 33 | Very low | 48.5 | Very low | 115 Ų | 115 | 82 Ų | 82 | 60% | 0.602 | 48% | 0.482 | S | S | * | . | trans | -52.3 | 102.3 | 167.1 | -87.2 | 166.2 | 0 | 0 | 0 | 109 | V781 C797 T801 | V781-L799 HydrophobicContact CG1-CD1 4.14Å; C797-L799 PolarHBondContact O-N 2.89Å; L799-T801 PolarHBondContact O-N 2.85Å | ||
| 800 | Y | 44.1 | Very low | 51.4 | Low | 106 Ų | 106 | 78.8 Ų | 78.8 | 42% | 0.416 | 45% | 0.448 | S | S | . | . | trans | -53.8 | 115.7 | 176.3 | -87.7 | -65.1 | 0 | 0 | 0 | 109 | S732 Q798 D804 Y805 | S732-Y800 WeakPolarHBondContact O-CE2 3.33Å; Q798-Y800 PolarHBondContact O-N 3.21Å; Y800-D804 HydrophobicContact CD1-CB 3.87Å; Y800-Y805 VanDerWaalsContact CB-CE2 3.5Å; Y800-Y805 WeakPolarHBondContact O-CE2 3.43Å | ||
| 801 | T | 56.3 | Low | 54.2 | Low | 75 Ų | 75 | 74.8 Ų | 74.8 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | trans | -71.9 | 151.8 | -172.5 | 67.6 | 0 | 0 | 0 | 0 | 109 | L799 P803 D804 | L799-T801 PolarHBondContact O-N 2.85Å; T801-P803 WeakPolarHBondContact OG1-CD 3.37Å; T801-D804 PolarHBondContact N-OD2 2.77Å; T801-D804 PolarHBondContact O-N 3.29Å; T801-D804 PolarHBondContact OG1-OD2 3.45Å | ||
| 802 | G | 63.3 | Low | 57 | Low | 6 Ų | 6 | 69 Ų | 69 | 6% | 0.062 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -47.4 | -31.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y842 | G802-Y842 PolarHBondContact O-OH 2.91Å |
| 803 | P | 67.7 | Low | 60 | Low | 30 Ų | 30 | 65.2 Ų | 65.2 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 168.2 | -28 | 35.3 | 0 | 0 | 0 | 116.3 | T801 V806 K807 Y842 T846 | T801-P803 WeakPolarHBondContact OG1-CD 3.37Å; P803-V806 PolarHBondContact O-N 2.65Å; P803-K807 WeakPolarHBondContact O-CB 3.45Å; P803-K807 PolarHBondContact O-N 2.91Å; P803-Y842 HydrophobicContact CG-CD1 4.1Å; P803-Y842 HydrophobicContact CG-CE1 3.84Å; P803-T846 HydrophobicContact CB-CG2 3.86Å; P803-T846 HydrophobicContact CG-CG2 3.62Å |
| 804 | D | 73.6 | Confident | 62.7 | Low | 42 Ų | 42 | 63.7 Ų | 63.7 | 23% | 0.225 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.7 | -41.7 | -172.3 | -66.1 | -60.7 | 0 | 0 | 0 | 111.9 | Y800 T801 V806 K807 I808 | Y800-D804 HydrophobicContact CD1-CB 3.87Å; T801-D804 PolarHBondContact N-OD2 2.77Å; T801-D804 PolarHBondContact O-N 3.29Å; T801-D804 PolarHBondContact OG1-OD2 3.45Å; D804-V806 VanDerWaalsContact C-N 3.33Å; D804-V806 PolarHBondContact O-N 2.71Å; D804-K807 WeakPolarHBondContact O-CB 3.26Å; D804-K807 PolarHBondContact O-N 2.76Å; D804-K807 IonicContact OD1-NZ 2.96Å; D804-I808 WeakPolarHBondContact O-CG1 3.49Å; D804-I808 PolarHBondContact O-N 3.28Å |
| 805 | Y | 77.2 | Confident | 65.4 | Low | 31 Ų | 31 | 60.5 Ų | 60.5 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.2 | -48.1 | 170.3 | -75.2 | -94.6 | 0 | 0 | 0 | 111.5 | A733 F734 Q764 Y800 K807 I808 M809 | A733-Y805 WeakPolarHBondContact O-CE1 3.3Å; F734-Y805 HydrophobicContact CE1-CD1 4.13Å; Q764-Y805 HydrophobicContact CB-CD1 4.26Å; Q764-Y805 HydrophobicContact CB-CD2 3.98Å; Q764-Y805 HydrophobicContact CB-CE1 4.46Å; Q764-Y805 HydrophobicContact CB-CE2 4.22Å; Q764-Y805 HydrophobicContact CB-CG 4Å; Q764-Y805 HydrophobicContact CG-CD1 3.88Å; Q764-Y805 HydrophobicContact CG-CD2 4.08Å; Q764-Y805 HydrophobicContact CG-CE1 3.65Å; Q764-Y805 HydrophobicContact CG-CE2 3.88Å; Q764-Y805 HydrophobicContact CG-CG 4.08Å; Q764-Y805 PolarHBondContact NE2-OH 2.81Å; Q764-Y805 VanDerWaalsContact NE2-OH 3.12Å; Y800-Y805 VanDerWaalsContact CB-CE2 3.5Å; Y800-Y805 WeakPolarHBondContact O-CE2 3.43Å; Y805-K807 PolarHBondContact O-N 3.27Å; Y805-I808 PolarHBondContact O-N 2.98Å; Y805-M809 VanDerWaalsContact O-CB 3.26Å; Y805-M809 WeakPolarHBondContact O-CB 3.4Å; Y805-M809 PolarHBondContact O-N 3.45Å |
| 806 | V | 81.1 | Confident | 68.1 | Low | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 112 | T761 V765 P803 D804 M809 F810 L835 Y842 L850 | T761-V806 HydrophobicContact CG2-CB 4.46Å; T761-V806 HydrophobicContact CG2-CG2 3.75Å; V765-V806 HydrophobicContact CG2-CG2 3.44Å; V765-V806 VanDerWaalsContact CG2-CG2 3.44Å; P803-V806 PolarHBondContact O-N 2.65Å; D804-V806 VanDerWaalsContact C-N 3.33Å; D804-V806 PolarHBondContact O-N 2.71Å; V806-M809 PolarHBondContact O-N 2.8Å; V806-F810 HydrophobicContact CG1-CD2 3.85Å; V806-F810 HydrophobicContact CG1-CE1 4.26Å; V806-F810 HydrophobicContact CG1-CE2 3.54Å; V806-F810 HydrophobicContact CG1-CG 4.36Å; V806-F810 HydrophobicContact CG1-CZ 3.76Å; V806-F810 WeakPolarHBondContact O-CB 3.36Å; V806-F810 WeakPolarHBondContact O-CG 3.4Å; V806-F810 PolarHBondContact O-N 3.48Å; V806-L835 HydrophobicContact CG2-CD2 4.41Å; V806-Y842 HydrophobicContact CG2-CE2 4.47Å; V806-Y842 WeakPolarHBondContact CG2-OH 3.28Å; V806-L850 HydrophobicContact CB-CD1 4.42Å; V806-L850 HydrophobicContact CB-CD2 4.13Å; V806-L850 HydrophobicContact CG1-CD1 4.13Å; V806-L850 HydrophobicContact CG1-CD2 3.93Å |
| 807 | K | 80.4 | Confident | 70.8 | Confident | 98 Ų | 98 | 48.1 Ų | 48.1 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.2 | -39 | 175.6 | 174.6 | -173.5 | 170.1 | -164.3 | 0 | 112.2 | P803 D804 Y805 K811 L850 | P803-K807 WeakPolarHBondContact O-CB 3.45Å; P803-K807 PolarHBondContact O-N 2.91Å; D804-K807 WeakPolarHBondContact O-CB 3.26Å; D804-K807 PolarHBondContact O-N 2.76Å; D804-K807 IonicContact OD1-NZ 2.96Å; Y805-K807 PolarHBondContact O-N 3.27Å; K807-K811 WeakPolarHBondContact O-CG 3.26Å; K807-K811 PolarHBondContact O-N 3.27Å; K807-L850 HydrophobicContact CB-CD2 4.37Å |
| 808 | I | 83.8 | Confident | 73.3 | Confident | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.087 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.2 | -44.1 | 174.5 | -66.1 | 166.3 | 0 | 0 | 0 | 109.8 | A733 F734 D804 Y805 F810 K811 L812 | A733-I808 HydrophobicContact CB-CD1 3.85Å; A733-I808 HydrophobicContact CB-CG2 4.16Å; F734-I808 HydrophobicContact CE2-CG2 4.16Å; D804-I808 WeakPolarHBondContact O-CG1 3.49Å; D804-I808 PolarHBondContact O-N 3.28Å; Y805-I808 PolarHBondContact O-N 2.98Å; I808-F810 PolarHBondContact O-N 3.1Å; I808-K811 WeakPolarHBondContact O-CA 3.1Å; I808-K811 WeakPolarHBondContact O-CB 3.32Å; I808-K811 PolarHBondContact O-N 2.6Å; I808-L812 PolarHBondContact O-N 3.23Å |
| 809 | M | 88.2 | Confident | 75.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -37 | 178.3 | -163.5 | 63.9 | -162.4 | 0 | 0 | 113.1 | F734 L754 A757 T758 T761 Y805 V806 K811 L812 I813 A831 L835 | F734-M809 HydrophobicContact CE2-SD 4.29Å; F734-M809 HydrophobicContact CZ-CB 4.43Å; F734-M809 HydrophobicContact CZ-SD 3.9Å; L754-M809 HydrophobicContact CD1-CE 3.64Å; A757-M809 HydrophobicContact CB-CE 4.09Å; A757-M809 HydrophobicContact CB-SD 3.79Å; T758-M809 WeakPolarHBondContact OG1-CE 3.19Å; T761-M809 HydrophobicContact CG2-CB 3.95Å; T761-M809 HydrophobicContact CG2-CG 4.21Å; Y805-M809 VanDerWaalsContact O-CB 3.26Å; Y805-M809 WeakPolarHBondContact O-CB 3.4Å; Y805-M809 PolarHBondContact O-N 3.45Å; V806-M809 PolarHBondContact O-N 2.8Å; M809-K811 VanDerWaalsContact C-N 3.32Å; M809-K811 PolarHBondContact O-N 2.81Å; M809-L812 PolarHBondContact O-N 3.47Å; M809-L812 HydrophobicContact SD-CD1 4.04Å; M809-I813 HydrophobicContact CE-CD1 4.36Å; M809-I813 HydrophobicContact CE-CG1 4.32Å; M809-I813 HydrophobicContact CG-CD1 4.18Å; M809-I813 WeakPolarHBondContact O-CB 3.35Å; M809-I813 VanDerWaalsContact O-CG1 3.3Å; M809-I813 WeakPolarHBondContact O-CG1 3.46Å; M809-I813 PolarHBondContact O-N 2.73Å; M809-A831 HydrophobicContact CE-CB 4.49Å; M809-L835 HydrophobicContact CB-CD1 4.16Å; M809-L835 HydrophobicContact CG-CD1 3.63Å |
| 810 | F | 87.3 | Confident | 77.5 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -29.9 | 171.6 | -75.6 | -24.6 | 0 | 0 | 0 | 113 | V806 I808 I813 Q814 F832 L835 L839 L850 A853 I854 I857 | V806-F810 HydrophobicContact CG1-CD2 3.85Å; V806-F810 HydrophobicContact CG1-CE1 4.26Å; V806-F810 HydrophobicContact CG1-CE2 3.54Å; V806-F810 HydrophobicContact CG1-CG 4.36Å; V806-F810 HydrophobicContact CG1-CZ 3.76Å; V806-F810 WeakPolarHBondContact O-CB 3.36Å; V806-F810 WeakPolarHBondContact O-CG 3.4Å; V806-F810 PolarHBondContact O-N 3.48Å; I808-F810 PolarHBondContact O-N 3.1Å; F810-I813 HydrophobicContact CD1-CD1 4.36Å; F810-Q814 WeakPolarHBondContact O-CB 3.1Å; F810-Q814 PolarHBondContact O-N 2.98Å; F810-F832 HydrophobicContact CD1-CD2 4.2Å; F810-F832 AromaticContact CE1-CD2 3.91Å; F810-F832 HydrophobicContact CE1-CD2 3.91Å; F810-F832 HydrophobicContact CE1-CE2 4.17Å; F810-L835 HydrophobicContact CD1-CD1 4.19Å; F810-L835 HydrophobicContact CE1-CB 3.74Å; F810-L835 HydrophobicContact CE1-CD1 4Å; F810-L835 HydrophobicContact CZ-CB 4.18Å; F810-L839 HydrophobicContact CE2-CD2 4.15Å; F810-L839 HydrophobicContact CZ-CD1 4.49Å; F810-L839 HydrophobicContact CZ-CD2 4.18Å; F810-L850 HydrophobicContact CD2-CD2 4.43Å; F810-L850 HydrophobicContact CE2-CB 4.32Å; F810-L850 HydrophobicContact CE2-CD2 4.4Å; F810-A853 HydrophobicContact CB-CB 4.17Å; F810-A853 HydrophobicContact CD2-CB 3.83Å; F810-A853 HydrophobicContact CG-CB 4.47Å; F810-I854 HydrophobicContact CE2-CG1 4.21Å; F810-I854 HydrophobicContact CZ-CG1 4.41Å; F810-I857 HydrophobicContact CB-CD1 4.04Å; F810-I857 HydrophobicContact CD1-CD1 4.01Å; F810-I857 HydrophobicContact CG-CD1 4.18Å |
| 811 | K | 84 | Confident | 79 | Confident | 87 Ų | 87 | 30.3 Ų | 30.3 | 38% | 0.378 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -70.6 | -42 | 171.8 | -74.8 | 169.1 | 144.6 | -140.6 | 0 | 111.6 | E726 K807 I808 M809 Q814 F815 | E726-K811 HydrophobicContact CG-CB 3.97Å; E726-K811 HydrophobicContact CG-CD 3.76Å; E726-K811 HydrophobicContact CG-CG 4.4Å; E726-K811 VanDerWaalsContact OE1-CE 3.27Å; E726-K811 WeakPolarHBondContact OE1-CE 3.37Å; E726-K811 IonicContact OE1-NZ 2.71Å; E726-K811 PolarHBondContact OE1-NZ 2.85Å; K807-K811 WeakPolarHBondContact O-CG 3.26Å; K807-K811 PolarHBondContact O-N 3.27Å; I808-K811 WeakPolarHBondContact O-CA 3.1Å; I808-K811 WeakPolarHBondContact O-CB 3.32Å; I808-K811 PolarHBondContact O-N 2.6Å; M809-K811 VanDerWaalsContact C-N 3.32Å; M809-K811 PolarHBondContact O-N 2.81Å; K811-Q814 WeakPolarHBondContact O-CB 3.19Å; K811-Q814 PolarHBondContact O-N 2.92Å; K811-F815 PolarHBondContact O-N 3.37Å; K811-F815 VanDerWaalsContact O-N 3.16Å |
| 812 | L | 86.2 | Confident | 80 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59 | -49.1 | 171.6 | -78.8 | 172.9 | 0 | 0 | 0 | 112.1 | F724 C730 F734 L742 I808 M809 Q814 F815 L816 | F724-L812 HydrophobicContact CD2-CD2 4.34Å; F724-L812 HydrophobicContact CE1-CD2 4.27Å; F724-L812 HydrophobicContact CE2-CD2 3.69Å; F724-L812 HydrophobicContact CZ-CD2 3.66Å; C730-L812 HydrophobicContact CB-CD1 4.49Å; C730-L812 VanDerWaalsContact SG-CD2 3.59Å; F734-L812 HydrophobicContact CD2-CD1 4.27Å; F734-L812 HydrophobicContact CE2-CD1 3.67Å; L742-L812 HydrophobicContact CD1-CD1 3.67Å; L742-L812 HydrophobicContact CD1-CD2 3.96Å; L742-L812 HydrophobicContact CD1-CG 4.48Å; I808-L812 PolarHBondContact O-N 3.23Å; M809-L812 PolarHBondContact O-N 3.47Å; M809-L812 HydrophobicContact SD-CD1 4.04Å; L812-Q814 VanDerWaalsContact C-N 3.27Å; L812-Q814 PolarHBondContact O-N 3.28Å; L812-F815 WeakPolarHBondContact O-CA 3.45Å; L812-F815 WeakPolarHBondContact O-CB 3.44Å; L812-F815 PolarHBondContact O-N 3.06Å; L812-L816 HydrophobicContact CB-CD1 4.44Å; L812-L816 WeakPolarHBondContact O-CG 3.29Å; L812-L816 PolarHBondContact O-N 2.62Å |
| 813 | I | 88.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.4 | -38.5 | 175.4 | -72.2 | 164.7 | 0 | 0 | 0 | 111.1 | M809 F810 F815 L817 A831 F832 L835 I857 | M809-I813 HydrophobicContact CE-CD1 4.36Å; M809-I813 HydrophobicContact CE-CG1 4.32Å; M809-I813 HydrophobicContact CG-CD1 4.18Å; M809-I813 WeakPolarHBondContact O-CB 3.35Å; M809-I813 VanDerWaalsContact O-CG1 3.3Å; M809-I813 WeakPolarHBondContact O-CG1 3.46Å; M809-I813 PolarHBondContact O-N 2.73Å; F810-I813 HydrophobicContact CD1-CD1 4.36Å; I813-F815 PolarHBondContact O-N 3.49Å; I813-L817 HydrophobicContact CG2-CD1 3.87Å; I813-L817 HydrophobicContact CG2-CG 4.26Å; I813-L817 WeakPolarHBondContact O-CB 3.45Å; I813-L817 WeakPolarHBondContact O-CD1 3.39Å; I813-L817 WeakPolarHBondContact O-CG 3.4Å; I813-L817 PolarHBondContact O-N 2.77Å; I813-L817 VanDerWaalsContact O-N 3.13Å; I813-A831 HydrophobicContact CD1-CB 4.03Å; I813-F832 HydrophobicContact CD1-CB 4.29Å; I813-F832 HydrophobicContact CG2-CB 3.98Å; I813-F832 HydrophobicContact CG2-CD2 4.37Å; I813-F832 HydrophobicContact CG2-CG 4.34Å; I813-L835 HydrophobicContact CD1-CD1 3.74Å; I813-I857 HydrophobicContact CB-CD1 4.42Å; I813-I857 HydrophobicContact CG2-CD1 3.9Å; I813-I857 HydrophobicContact CG2-CG1 4.36Å |
| 814 | Q | 85.8 | Confident | 81.5 | Confident | 67 Ų | 67 | 26.6 Ų | 26.6 | 31% | 0.313 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.1 | -28.2 | 174.8 | -168.3 | -160.6 | -65.1 | 0 | 0 | 112.6 | F810 K811 L812 P856 I857 R860 | F810-Q814 WeakPolarHBondContact O-CB 3.1Å; F810-Q814 PolarHBondContact O-N 2.98Å; K811-Q814 WeakPolarHBondContact O-CB 3.19Å; K811-Q814 PolarHBondContact O-N 2.92Å; L812-Q814 VanDerWaalsContact C-N 3.27Å; L812-Q814 PolarHBondContact O-N 3.28Å; Q814-P856 HydrophobicContact CG-CB 3.97Å; Q814-I857 HydrophobicContact CB-CG1 4.13Å; Q814-R860 WeakPolarHBondContact O-CD 3.47Å; Q814-R860 PolarHBondContact O-NH1 2.62Å |
| 815 | F | 81.8 | Confident | 82.1 | Confident | 67 Ų | 67 | 24.6 Ų | 24.6 | 29% | 0.294 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -80.6 | -54 | 174.6 | 178.6 | -97.4 | 0 | 0 | 0 | 111.6 | P723 F724 K811 L812 I813 L817 D818 | P723-F815 HydrophobicContact CB-CE2 4.38Å; P723-F815 HydrophobicContact CB-CZ 3.92Å; P723-F815 HydrophobicContact CG-CZ 4.13Å; P723-F815 WeakPolarHBondContact O-CE2 3.39Å; F724-F815 HydrophobicContact CB-CD2 3.86Å; F724-F815 HydrophobicContact CB-CE2 4.11Å; F724-F815 HydrophobicContact CB-CG 4.15Å; F724-F815 AromaticContact CD1-CD1 3.81Å; F724-F815 HydrophobicContact CD1-CD1 3.81Å; F724-F815 HydrophobicContact CD1-CD2 4.45Å; F724-F815 AromaticContact CD1-CE1 3.75Å; F724-F815 HydrophobicContact CD1-CE1 3.75Å; F724-F815 HydrophobicContact CD1-CE2 4.39Å; F724-F815 HydrophobicContact CD1-CG 4.18Å; F724-F815 HydrophobicContact CD1-CZ 4.06Å; F724-F815 HydrophobicContact CE1-CD1 4.42Å; F724-F815 HydrophobicContact CE1-CE1 4.36Å; F724-F815 HydrophobicContact CG-CG 4.47Å; K811-F815 PolarHBondContact O-N 3.37Å; K811-F815 VanDerWaalsContact O-N 3.16Å; L812-F815 WeakPolarHBondContact O-CA 3.45Å; L812-F815 WeakPolarHBondContact O-CB 3.44Å; L812-F815 PolarHBondContact O-N 3.06Å; I813-F815 PolarHBondContact O-N 3.49Å; F815-L817 PolarHBondContact O-N 3.22Å; F815-D818 PolarHBondContact O-N 3.27Å |
| 816 | L | 86.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.2 | -13.4 | -173.1 | -62 | 164.6 | 0 | 0 | 0 | 114.4 | L742 L754 L812 D818 D819 I824 A828 | L742-L816 HydrophobicContact CD2-CD1 4.01Å; L754-L816 HydrophobicContact CD1-CD1 3.79Å; L754-L816 HydrophobicContact CD2-CD1 4.2Å; L754-L816 HydrophobicContact CG-CD1 4.39Å; L812-L816 HydrophobicContact CB-CD1 4.44Å; L812-L816 WeakPolarHBondContact O-CG 3.29Å; L812-L816 PolarHBondContact O-N 2.62Å; L816-D818 PolarHBondContact O-N 2.79Å; L816-D819 VanDerWaalsContact O-CB 3.23Å; L816-D819 WeakPolarHBondContact O-CB 3.47Å; L816-D819 PolarHBondContact O-N 3.47Å; L816-I824 HydrophobicContact CB-CG2 4.29Å; L816-I824 HydrophobicContact CD2-CG2 4.06Å; L816-A828 HydrophobicContact CB-CB 4.04Å |
| 817 | L | 84.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.5 | 168.8 | -75.8 | 171.3 | 0 | 0 | 0 | 114.4 | I813 F815 F825 A828 L829 I857 L861 | I813-L817 HydrophobicContact CG2-CD1 3.87Å; I813-L817 HydrophobicContact CG2-CG 4.26Å; I813-L817 WeakPolarHBondContact O-CB 3.45Å; I813-L817 WeakPolarHBondContact O-CD1 3.39Å; I813-L817 WeakPolarHBondContact O-CG 3.4Å; I813-L817 PolarHBondContact O-N 2.77Å; I813-L817 VanDerWaalsContact O-N 3.13Å; F815-L817 PolarHBondContact O-N 3.22Å; L817-F825 HydrophobicContact CD2-CD2 4.27Å; L817-F825 HydrophobicContact CD2-CE2 4.1Å; L817-F825 WeakPolarHBondContact O-CD2 3.37Å; L817-F825 WeakPolarHBondContact O-CE2 3.35Å; L817-A828 HydrophobicContact CD2-CB 4.13Å; L817-A828 HydrophobicContact CG-CB 4.31Å; L817-L829 HydrophobicContact CD2-CD2 3.92Å; L817-L829 HydrophobicContact CD2-CG 3.72Å; L817-I857 HydrophobicContact CD1-CG2 3.64Å; L817-L861 HydrophobicContact CD1-CD2 3.96Å; L817-L861 HydrophobicContact CD1-CG 4.32Å; L817-L861 HydrophobicContact CD2-CD2 3.92Å; L817-L861 HydrophobicContact CG-CD2 4.5Å |
| 818 | D | 75.8 | Confident | 83.3 | Confident | 27 Ų | 27 | 20.3 Ų | 20.3 | 14% | 0.144 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 15.5 | 170.2 | -71.7 | -148.8 | 0 | 0 | 0 | 111.9 | F815 L816 R860 S869 | F815-D818 PolarHBondContact O-N 3.27Å; L816-D818 PolarHBondContact O-N 2.79Å; D818-R860 IonicContact OD1-CZ 2.68Å; D818-R860 IonicContact OD1-NE 3.38Å; D818-R860 PolarHBondContact OD1-NE 2.84Å; D818-R860 IonicContact OD1-NH2 3.2Å; D818-R860 PolarHBondContact OD1-NH2 3.22Å; D818-R860 WeakPolarHBondContact OD2-CD 3.34Å; D818-R860 VanDerWaalsContact OD2-CG 3.26Å; D818-R860 WeakPolarHBondContact OD2-CG 3.37Å; D818-R860 IonicContact OD2-CZ 2.69Å; D818-R860 IonicContact OD2-NE 2.74Å; D818-R860 PolarHBondContact OD2-NE 2.97Å; D818-R860 IonicContact OD2-NH2 2.75Å; D818-S869 PolarHBondContact OD1-OG 3.2Å |
| 819 | D | 80.6 | Confident | 83.5 | Confident | 10 Ų | 10 | 19.5 Ų | 19.5 | 5% | 0.053 | 10% | 0.102 | C | C | . | . | trans | -66.8 | 137.1 | 172.6 | -162.5 | -63.2 | 0 | 0 | 0 | 110.6 | R750 L816 V821 I824 R951 | R750-D819 IonicContact CZ-OD2 3.77Å; R750-D819 IonicContact NH1-OD1 3.85Å; R750-D819 PolarHBondContact NH1-OD1 3.44Å; R750-D819 IonicContact NH1-OD2 2.66Å; R750-D819 PolarHBondContact NH1-OD2 3.26Å; L816-D819 VanDerWaalsContact O-CB 3.23Å; L816-D819 WeakPolarHBondContact O-CB 3.47Å; L816-D819 PolarHBondContact O-N 3.47Å; D819-V821 VanDerWaalsContact C-N 3.26Å; D819-V821 PolarHBondContact O-N 3.04Å; D819-V821 WeakPolarHBondContact OD1-CB 3.39Å; D819-V821 PolarHBondContact OD1-N 3.03Å; D819-I824 HydrophobicContact CB-CB 4.29Å; D819-I824 HydrophobicContact CB-CG2 3.83Å; D819-R951 PolarHBondContact O-NH1 3.45Å | ||
| 820 | P | 70.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 24.5 Ų | 24.5 | 42% | 0.422 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -63.3 | -24.7 | 178.1 | 24.5 | -34.6 | 0 | 0 | 0 | 114.3 | R951 | P820-R951 VanDerWaalsContact O-CZ 3.26Å; P820-R951 PolarHBondContact O-NH1 2.99Å; P820-R951 PolarHBondContact O-NH2 2.93Å |
| 821 | V | 76.3 | Confident | 83.5 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.03 | 12% | 0.122 | C | C | . | . | trans | -83.5 | 138.6 | -171 | 176 | 0 | 0 | 0 | 0 | 112.4 | W747 D819 A823 I824 F825 D1470 | W747-V821 HydrophobicContact CB-CB 4.4Å; W747-V821 HydrophobicContact CB-CG1 3.99Å; W747-V821 HydrophobicContact CB-CG2 3.74Å; W747-V821 HydrophobicContact CD2-CG1 3.81Å; W747-V821 HydrophobicContact CE3-CG1 3.73Å; W747-V821 HydrophobicContact CG-CG1 3.93Å; W747-V821 HydrophobicContact CG-CG2 4.27Å; W747-V821 HydrophobicContact CZ3-CG1 4.5Å; D819-V821 VanDerWaalsContact C-N 3.26Å; D819-V821 PolarHBondContact O-N 3.04Å; D819-V821 WeakPolarHBondContact OD1-CB 3.39Å; D819-V821 PolarHBondContact OD1-N 3.03Å; V821-A823 HydrophobicContact CG1-CB 4.3Å; V821-I824 HydrophobicContact CB-CB 4.21Å; V821-I824 HydrophobicContact CB-CD1 3.91Å; V821-I824 HydrophobicContact CB-CG1 4.02Å; V821-I824 HydrophobicContact CG1-CB 4.38Å; V821-I824 HydrophobicContact CG1-CD1 4.07Å; V821-I824 HydrophobicContact CG1-CG1 3.87Å; V821-I824 HydrophobicContact CG2-CD1 4.25Å; V821-F825 PolarHBondContact O-N 3.49Å; V821-F825 VanDerWaalsContact O-N 3.17Å; V821-D1470 WeakPolarHBondContact CA-OD2 3.48Å; V821-D1470 HydrophobicContact CG1-CB 4.13Å; V821-D1470 WeakPolarHBondContact CG1-OD2 3.34Å | ||
| 822 | D | 76.5 | Confident | 83.8 | Confident | 16 Ų | 16 | 20.5 Ų | 20.5 | 9% | 0.086 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.1 | -44.5 | -175.4 | -102.4 | -67.8 | 0 | 0 | 0 | 112.7 | I824 F825 T826 N947 R951 D1470 | D822-I824 PolarHBondContact O-N 3.37Å; D822-F825 PolarHBondContact O-N 3.07Å; D822-T826 VanDerWaalsContact O-CB 3.29Å; D822-T826 WeakPolarHBondContact O-CB 3.29Å; D822-T826 PolarHBondContact O-N 3.36Å; D822-T826 PolarHBondContact O-OG1 3.12Å; D822-N947 VanDerWaalsContact CG-CB 3.48Å; D822-N947 WeakPolarHBondContact OD2-CB 3.32Å; D822-N947 PolarHBondContact OD2-ND2 3.12Å; D822-R951 WeakPolarHBondContact OD1-CD 3.41Å; D822-R951 WeakPolarHBondContact OD1-CG 3.48Å; D822-R951 IonicContact OD1-CZ 3.75Å; D822-R951 IonicContact OD1-NE 2.96Å; D822-R951 PolarHBondContact OD1-NE 3.35Å; D822-R951 IonicContact OD1-NH2 3.18Å; D822-R951 IonicContact OD2-CZ 2.76Å; D822-R951 IonicContact OD2-NE 2.82Å; D822-R951 PolarHBondContact OD2-NE 3Å; D822-R951 IonicContact OD2-NH2 3.72Å; D822-R951 PolarHBondContact OD2-NH2 3.48Å; D822-D1470 PolarHBondContact N-OD2 3.32Å |
| 823 | A | 77.8 | Confident | 83.6 | Confident | 16 Ų | 16 | 26 Ų | 26 | 13% | 0.132 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W747 V821 T826 D827 | W747-A823 HydrophobicContact CE3-CB 4.07Å; W747-A823 HydrophobicContact CH2-CB 4.03Å; W747-A823 HydrophobicContact CZ3-CB 3.41Å; W747-A823 VanDerWaalsContact CZ3-CB 3.41Å; V821-A823 HydrophobicContact CG1-CB 4.3Å; A823-T826 PolarHBondContact O-N 3.33Å; A823-D827 PolarHBondContact O-N 3.31Å |
| 824 | I | 84.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.1 | -44.4 | 179.8 | -60.4 | 178.1 | 0 | 0 | 0 | 111.2 | W747 R750 Q751 L754 L816 D819 V821 D822 T826 D827 A828 | W747-I824 HydrophobicContact CB-CD1 3.95Å; W747-I824 HydrophobicContact CE3-CG1 4.47Å; R750-I824 HydrophobicContact CB-CD1 3.75Å; R750-I824 HydrophobicContact CG-CD1 4.19Å; Q751-I824 HydrophobicContact CB-CG1 4.24Å; L754-I824 HydrophobicContact CD2-CG2 4.01Å; L816-I824 HydrophobicContact CB-CG2 4.29Å; L816-I824 HydrophobicContact CD2-CG2 4.06Å; D819-I824 HydrophobicContact CB-CB 4.29Å; D819-I824 HydrophobicContact CB-CG2 3.83Å; V821-I824 HydrophobicContact CB-CB 4.21Å; V821-I824 HydrophobicContact CB-CD1 3.91Å; V821-I824 HydrophobicContact CB-CG1 4.02Å; V821-I824 HydrophobicContact CG1-CB 4.38Å; V821-I824 HydrophobicContact CG1-CD1 4.07Å; V821-I824 HydrophobicContact CG1-CG1 3.87Å; V821-I824 HydrophobicContact CG2-CD1 4.25Å; D822-I824 PolarHBondContact O-N 3.37Å; I824-T826 VanDerWaalsContact C-N 3.27Å; I824-T826 PolarHBondContact O-N 2.91Å; I824-D827 PolarHBondContact O-N 2.78Å; I824-A828 VanDerWaalsContact O-CB 3.31Å; I824-A828 WeakPolarHBondContact O-CB 3.27Å; I824-A828 PolarHBondContact O-N 3.27Å |
| 825 | F | 87.1 | Confident | 83.2 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | 174.6 | 178.5 | -88.9 | 0 | 0 | 0 | 111.6 | L817 V821 D822 A828 L829 F864 L871 R951 A955 | L817-F825 HydrophobicContact CD2-CD2 4.27Å; L817-F825 HydrophobicContact CD2-CE2 4.1Å; L817-F825 WeakPolarHBondContact O-CD2 3.37Å; L817-F825 WeakPolarHBondContact O-CE2 3.35Å; V821-F825 PolarHBondContact O-N 3.49Å; V821-F825 VanDerWaalsContact O-N 3.17Å; D822-F825 PolarHBondContact O-N 3.07Å; F825-A828 PolarHBondContact O-N 2.76Å; F825-L829 HydrophobicContact CD1-CD1 4.08Å; F825-L829 HydrophobicContact CE1-CD1 3.41Å; F825-L829 VanDerWaalsContact CE1-CD1 3.41Å; F825-L829 HydrophobicContact CE1-CG 4.32Å; F825-L829 HydrophobicContact CZ-CD1 3.87Å; F825-L829 PolarHBondContact O-N 2.74Å; F825-F864 HydrophobicContact CE2-CD2 4.43Å; F825-F864 HydrophobicContact CE2-CE1 4.41Å; F825-F864 HydrophobicContact CE2-CE2 4.3Å; F825-F864 HydrophobicContact CE2-CZ 4.3Å; F825-F864 HydrophobicContact CZ-CD1 4.09Å; F825-F864 AromaticContact CZ-CE1 3.87Å; F825-F864 HydrophobicContact CZ-CE1 3.87Å; F825-F864 HydrophobicContact CZ-CZ 4.13Å; F825-L871 HydrophobicContact CD2-CD1 4.48Å; F825-R951 HydrophobicContact CD1-CB 3.86Å; F825-R951 HydrophobicContact CD1-CG 3.64Å; F825-R951 HydrophobicContact CE1-CB 3.49Å; F825-R951 VanDerWaalsContact CE1-CB 3.49Å; F825-R951 HydrophobicContact CE1-CG 3.85Å; F825-R951 HydrophobicContact CG-CG 4.28Å; F825-R951 HydrophobicContact CZ-CB 4.06Å; F825-A955 HydrophobicContact CZ-CB 4.37Å |
| 826 | T | 85.4 | Confident | 83.1 | Confident | 30 Ų | 30 | 25.5 Ų | 25.5 | 18% | 0.184 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.9 | -45.4 | 179 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | D822 A823 I824 L829 R830 L954 | D822-T826 VanDerWaalsContact O-CB 3.29Å; D822-T826 WeakPolarHBondContact O-CB 3.29Å; D822-T826 PolarHBondContact O-N 3.36Å; D822-T826 PolarHBondContact O-OG1 3.12Å; A823-T826 PolarHBondContact O-N 3.33Å; I824-T826 VanDerWaalsContact C-N 3.27Å; I824-T826 PolarHBondContact O-N 2.91Å; T826-L829 PolarHBondContact O-N 3.35Å; T826-R830 WeakPolarHBondContact O-CB 3.31Å; T826-R830 PolarHBondContact O-N 3.47Å; T826-L954 HydrophobicContact CG2-CD2 3.94Å |
| 827 | D | 86.8 | Confident | 82.4 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.4 | -31.7 | 175.6 | -86.8 | -23.4 | 0 | 0 | 0 | 113.1 | Q751 L754 Q755 A823 I824 L829 R830 A831 | Q751-D827 VanDerWaalsContact CG-OD2 3.23Å; Q751-D827 WeakPolarHBondContact CG-OD2 3.39Å; Q751-D827 PolarHBondContact NE2-OD2 2.95Å; L754-D827 HydrophobicContact CD2-CB 3.78Å; L754-D827 HydrophobicContact CG-CB 4.35Å; Q755-D827 PolarHBondContact NE2-OD2 3.42Å; A823-D827 PolarHBondContact O-N 3.31Å; I824-D827 PolarHBondContact O-N 2.78Å; D827-L829 VanDerWaalsContact C-N 3.35Å; D827-R830 PolarHBondContact O-N 2.82Å; D827-R830 WeakPolarHBondContact OD1-CD 3.49Å; D827-R830 IonicContact OD1-CZ 3.42Å; D827-R830 IonicContact OD1-NE 2.7Å; D827-R830 IonicContact OD1-NH1 2.7Å; D827-R830 PolarHBondContact OD1-NH1 2.79Å; D827-A831 VanDerWaalsContact O-CB 3.27Å; D827-A831 WeakPolarHBondContact O-CB 3.35Å; D827-A831 PolarHBondContact O-N 3.5Å |
| 828 | A | 91.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L754 L816 L817 I824 F825 F832 | L754-A828 HydrophobicContact CD2-CB 4.32Å; L816-A828 HydrophobicContact CB-CB 4.04Å; L817-A828 HydrophobicContact CD2-CB 4.13Å; L817-A828 HydrophobicContact CG-CB 4.31Å; I824-A828 VanDerWaalsContact O-CB 3.31Å; I824-A828 WeakPolarHBondContact O-CB 3.27Å; I824-A828 PolarHBondContact O-N 3.27Å; F825-A828 PolarHBondContact O-N 2.76Å; A828-F832 VanDerWaalsContact O-CB 3.31Å; A828-F832 WeakPolarHBondContact O-CB 3.18Å; A828-F832 PolarHBondContact O-N 2.93Å |
| 829 | L | 88.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.3 | -37.9 | 170.9 | -83.8 | 178.6 | 0 | 0 | 0 | 112.9 | L817 F825 T826 D827 R833 L861 L954 A955 T958 | L817-L829 HydrophobicContact CD2-CD2 3.92Å; L817-L829 HydrophobicContact CD2-CG 3.72Å; F825-L829 HydrophobicContact CD1-CD1 4.08Å; F825-L829 HydrophobicContact CE1-CD1 3.41Å; F825-L829 VanDerWaalsContact CE1-CD1 3.41Å; F825-L829 HydrophobicContact CE1-CG 4.32Å; F825-L829 HydrophobicContact CZ-CD1 3.87Å; F825-L829 PolarHBondContact O-N 2.74Å; T826-L829 PolarHBondContact O-N 3.35Å; D827-L829 VanDerWaalsContact C-N 3.35Å; L829-R833 WeakPolarHBondContact O-CB 3.22Å; L829-R833 VanDerWaalsContact O-CG 3.28Å; L829-R833 WeakPolarHBondContact O-CG 3.39Å; L829-R833 PolarHBondContact O-N 2.92Å; L829-L861 HydrophobicContact CD2-CD1 3.95Å; L829-L861 HydrophobicContact CD2-CD2 3.71Å; L829-L861 HydrophobicContact CD2-CG 4.5Å; L829-L954 HydrophobicContact CB-CD2 4.33Å; L829-L954 HydrophobicContact CD1-CB 4.18Å; L829-L954 HydrophobicContact CD1-CD2 3.84Å; L829-L954 HydrophobicContact CD1-CG 3.75Å; L829-A955 HydrophobicContact CD1-CB 4.27Å; L829-T958 HydrophobicContact CD2-CG2 4.24Å |
| 830 | R | 86.4 | Confident | 80.7 | Confident | 105 Ų | 105 | 34.6 Ų | 34.6 | 40% | 0.396 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.6 | -53.1 | 176.6 | -166 | 175.9 | -87.9 | 143.2 | -12.3 | 110.1 | T826 D827 F832 R833 E834 D1466 | T826-R830 WeakPolarHBondContact O-CB 3.31Å; T826-R830 PolarHBondContact O-N 3.47Å; D827-R830 PolarHBondContact O-N 2.82Å; D827-R830 WeakPolarHBondContact OD1-CD 3.49Å; D827-R830 IonicContact OD1-CZ 3.42Å; D827-R830 IonicContact OD1-NE 2.7Å; D827-R830 IonicContact OD1-NH1 2.7Å; D827-R830 PolarHBondContact OD1-NH1 2.79Å; R830-F832 PolarHBondContact O-N 2.89Å; R830-R833 PolarHBondContact O-N 3.32Å; R830-E834 PolarHBondContact O-N 3.04Å; R830-D1466 IonicContact CZ-OD1 2.9Å; R830-D1466 IonicContact NH2-OD1 3.3Å; R830-D1466 PolarHBondContact NH2-OD1 3.48Å; R830-D1466 IonicContact NH2-OD2 3.47Å |
| 831 | A | 89.7 | Confident | 80.3 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.033 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T758 M809 I813 D827 R833 E834 L835 | T758-A831 HydrophobicContact CG2-CB 3.63Å; T758-A831 VanDerWaalsContact OG1-CB 3.31Å; T758-A831 WeakPolarHBondContact OG1-CB 3.33Å; M809-A831 HydrophobicContact CE-CB 4.49Å; I813-A831 HydrophobicContact CD1-CB 4.03Å; D827-A831 VanDerWaalsContact O-CB 3.27Å; D827-A831 WeakPolarHBondContact O-CB 3.35Å; D827-A831 PolarHBondContact O-N 3.5Å; A831-R833 PolarHBondContact O-N 2.92Å; A831-E834 PolarHBondContact O-N 2.73Å; A831-L835 VanDerWaalsContact O-CG 3.32Å; A831-L835 WeakPolarHBondContact O-CG 3.31Å; A831-L835 PolarHBondContact O-N 3.29Å |
| 832 | F | 89.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 175.7 | -177.9 | -129.1 | 0 | 0 | 0 | 111.9 | F810 I813 A828 R830 E834 L835 L836 I854 I857 L861 T958 L962 | F810-F832 HydrophobicContact CD1-CD2 4.2Å; F810-F832 AromaticContact CE1-CD2 3.91Å; F810-F832 HydrophobicContact CE1-CD2 3.91Å; F810-F832 HydrophobicContact CE1-CE2 4.17Å; I813-F832 HydrophobicContact CD1-CB 4.29Å; I813-F832 HydrophobicContact CG2-CB 3.98Å; I813-F832 HydrophobicContact CG2-CD2 4.37Å; I813-F832 HydrophobicContact CG2-CG 4.34Å; A828-F832 VanDerWaalsContact O-CB 3.31Å; A828-F832 WeakPolarHBondContact O-CB 3.18Å; A828-F832 PolarHBondContact O-N 2.93Å; R830-F832 PolarHBondContact O-N 2.89Å; F832-E834 PolarHBondContact O-N 2.76Å; F832-L835 PolarHBondContact O-N 3.46Å; F832-L836 HydrophobicContact CD1-CD1 3.79Å; F832-L836 HydrophobicContact CD2-CD1 4.09Å; F832-L836 HydrophobicContact CD2-CG 4.2Å; F832-L836 HydrophobicContact CE1-CD1 3.61Å; F832-L836 HydrophobicContact CE2-CD1 3.92Å; F832-L836 HydrophobicContact CE2-CD2 4.12Å; F832-L836 HydrophobicContact CE2-CG 3.98Å; F832-L836 HydrophobicContact CG-CD1 4.03Å; F832-L836 HydrophobicContact CZ-CD1 3.68Å; F832-L836 HydrophobicContact CZ-CD2 4.18Å; F832-L836 HydrophobicContact CZ-CG 4.17Å; F832-L836 WeakPolarHBondContact O-CB 3.39Å; F832-L836 WeakPolarHBondContact O-CD1 3.26Å; F832-L836 WeakPolarHBondContact O-CG 3.35Å; F832-L836 PolarHBondContact O-N 3.16Å; F832-I854 HydrophobicContact CZ-CG2 4.21Å; F832-I857 HydrophobicContact CD1-CG2 3.99Å; F832-I857 HydrophobicContact CD2-CD1 3.79Å; F832-I857 HydrophobicContact CD2-CG2 4.1Å; F832-I857 HydrophobicContact CE1-CG2 3.6Å; F832-I857 HydrophobicContact CE2-CB 4.17Å; F832-I857 HydrophobicContact CE2-CD1 3.59Å; F832-I857 HydrophobicContact CE2-CG1 4.48Å; F832-I857 HydrophobicContact CE2-CG2 3.74Å; F832-I857 HydrophobicContact CG-CG2 4.23Å; F832-I857 HydrophobicContact CZ-CB 4.1Å; F832-I857 HydrophobicContact CZ-CD1 4.38Å; F832-I857 HydrophobicContact CZ-CG2 3.46Å; F832-I857 VanDerWaalsContact CZ-CG2 3.46Å; F832-L861 HydrophobicContact CD1-CD1 4.44Å; F832-L861 HydrophobicContact CE1-CD1 4.11Å; F832-T958 HydrophobicContact CD1-CG2 4.17Å; F832-T958 HydrophobicContact CE1-CG2 4.27Å; F832-L962 HydrophobicContact CE1-CD1 4.06Å; F832-L962 HydrophobicContact CZ-CD1 4.46Å |
| 833 | R | 82.5 | Confident | 79.3 | Confident | 119 Ų | 119 | 38.5 Ų | 38.5 | 45% | 0.449 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.3 | -35.9 | 179.3 | -72.8 | 172.7 | 70.3 | -171.9 | 0.2 | 112.8 | L829 R830 A831 T958 | L829-R833 WeakPolarHBondContact O-CB 3.22Å; L829-R833 VanDerWaalsContact O-CG 3.28Å; L829-R833 WeakPolarHBondContact O-CG 3.39Å; L829-R833 PolarHBondContact O-N 2.92Å; R830-R833 PolarHBondContact O-N 3.32Å; A831-R833 PolarHBondContact O-N 2.92Å; R833-T958 HydrophobicContact CG-CG2 3.98Å |
| 834 | E | 82.1 | Confident | 78.7 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 42% | 0.421 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.1 | -51.5 | 174.4 | -66.6 | -154.4 | 138.4 | 0 | 0 | 111.8 | I762 R830 A831 F832 L836 G837 Y838 | I762-E834 HydrophobicContact CD1-CB 4.04Å; I762-E834 VanDerWaalsContact CD1-OE2 3.22Å; I762-E834 WeakPolarHBondContact CD1-OE2 3.09Å; R830-E834 PolarHBondContact O-N 3.04Å; A831-E834 PolarHBondContact O-N 2.73Å; F832-E834 PolarHBondContact O-N 2.76Å; E834-L836 VanDerWaalsContact C-N 3.29Å; E834-L836 PolarHBondContact O-N 3.45Å; E834-G837 WeakPolarHBondContact O-CA 3.33Å; E834-G837 PolarHBondContact O-N 3.26Å; E834-Y838 WeakPolarHBondContact O-CD2 3.31Å |
| 835 | L | 84.1 | Confident | 77.8 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -37.4 | -179.4 | -67.9 | 171.2 | 0 | 0 | 0 | 112.8 | T761 I762 V806 M809 F810 I813 A831 F832 G837 Y838 L839 | T761-L835 HydrophobicContact CG2-CD2 3.55Å; I762-L835 HydrophobicContact CG1-CD2 3.96Å; V806-L835 HydrophobicContact CG2-CD2 4.41Å; M809-L835 HydrophobicContact CB-CD1 4.16Å; M809-L835 HydrophobicContact CG-CD1 3.63Å; F810-L835 HydrophobicContact CD1-CD1 4.19Å; F810-L835 HydrophobicContact CE1-CB 3.74Å; F810-L835 HydrophobicContact CE1-CD1 4Å; F810-L835 HydrophobicContact CZ-CB 4.18Å; I813-L835 HydrophobicContact CD1-CD1 3.74Å; A831-L835 VanDerWaalsContact O-CG 3.32Å; A831-L835 WeakPolarHBondContact O-CG 3.31Å; A831-L835 PolarHBondContact O-N 3.29Å; F832-L835 PolarHBondContact O-N 3.46Å; L835-G837 PolarHBondContact O-N 3.28Å; L835-Y838 PolarHBondContact O-N 2.88Å; L835-L839 PolarHBondContact O-N 2.94Å |
| 836 | L | 79 | Confident | 76.6 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.7 | -32.9 | 172.1 | -78.3 | 164.5 | 0 | 0 | 0 | 113.1 | F832 E834 L839 I854 L962 | F832-L836 HydrophobicContact CD1-CD1 3.79Å; F832-L836 HydrophobicContact CD2-CD1 4.09Å; F832-L836 HydrophobicContact CD2-CG 4.2Å; F832-L836 HydrophobicContact CE1-CD1 3.61Å; F832-L836 HydrophobicContact CE2-CD1 3.92Å; F832-L836 HydrophobicContact CE2-CD2 4.12Å; F832-L836 HydrophobicContact CE2-CG 3.98Å; F832-L836 HydrophobicContact CG-CD1 4.03Å; F832-L836 HydrophobicContact CZ-CD1 3.68Å; F832-L836 HydrophobicContact CZ-CD2 4.18Å; F832-L836 HydrophobicContact CZ-CG 4.17Å; F832-L836 WeakPolarHBondContact O-CB 3.39Å; F832-L836 WeakPolarHBondContact O-CD1 3.26Å; F832-L836 WeakPolarHBondContact O-CG 3.35Å; F832-L836 PolarHBondContact O-N 3.16Å; E834-L836 VanDerWaalsContact C-N 3.29Å; E834-L836 PolarHBondContact O-N 3.45Å; L836-L839 HydrophobicContact CD2-CD1 3.85Å; L836-I854 HydrophobicContact CD2-CD1 3.91Å; L836-I854 HydrophobicContact CD2-CG1 4.22Å; L836-L962 HydrophobicContact CD1-CD1 4Å; L836-L962 HydrophobicContact CD1-CD2 3.83Å; L836-L962 HydrophobicContact CD1-CG 4.27Å; L836-L962 HydrophobicContact CD2-CD2 4.05Å; L836-L962 HydrophobicContact CG-CD2 4.5Å |
| 837 | G | 71.8 | Confident | 75.6 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 58% | 0.577 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.8 | -33.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E834 L835 | E834-G837 WeakPolarHBondContact O-CA 3.33Å; E834-G837 PolarHBondContact O-N 3.26Å; L835-G837 PolarHBondContact O-N 3.28Å |
| 838 | Y | 71.1 | Confident | 74.7 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -81.7 | -15.3 | -179.6 | -70.5 | -86.2 | 0 | 0 | 0 | 114.1 | I762 V765 I766 E834 L835 V840 A841 | I762-Y838 HydrophobicContact CD1-CE2 4.4Å; I762-Y838 HydrophobicContact CG1-CE2 4.26Å; I762-Y838 HydrophobicContact CG2-CE1 4.48Å; I762-Y838 HydrophobicContact CG2-CE2 3.91Å; V765-Y838 HydrophobicContact CG1-CD1 4.16Å; V765-Y838 HydrophobicContact CG1-CG 4.32Å; I766-Y838 HydrophobicContact CD1-CE1 4.11Å; I766-Y838 HydrophobicContact CG1-CE1 3.83Å; E834-Y838 WeakPolarHBondContact O-CD2 3.31Å; L835-Y838 PolarHBondContact O-N 2.88Å; Y838-V840 PolarHBondContact O-N 3.19Å; Y838-V840 VanDerWaalsContact O-N 3.07Å; Y838-A841 WeakPolarHBondContact O-CB 3.36Å; Y838-A841 PolarHBondContact O-N 3.09Å |
| 839 | L | 68.7 | Low | 73.4 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -54.3 | -32 | 179 | -68.3 | 179.7 | 0 | 0 | 0 | 113.8 | F810 L835 L836 A841 Y842 Q847 L850 I854 | F810-L839 HydrophobicContact CE2-CD2 4.15Å; F810-L839 HydrophobicContact CZ-CD1 4.49Å; F810-L839 HydrophobicContact CZ-CD2 4.18Å; L835-L839 PolarHBondContact O-N 2.94Å; L836-L839 HydrophobicContact CD2-CD1 3.85Å; L839-A841 PolarHBondContact O-N 2.7Å; L839-Y842 PolarHBondContact O-N 2.73Å; L839-Q847 VanDerWaalsContact O-CG 3.3Å; L839-Q847 WeakPolarHBondContact O-CG 3.08Å; L839-Q847 PolarHBondContact O-NE2 3.3Å; L839-L850 HydrophobicContact CD2-CB 3.72Å; L839-L850 HydrophobicContact CD2-CD1 3.55Å; L839-L850 HydrophobicContact CD2-CG 4.25Å; L839-I854 HydrophobicContact CD1-CD1 3.4Å; L839-I854 VanDerWaalsContact CD1-CD1 3.4Å; L839-I854 HydrophobicContact CD1-CG1 4.35Å |
| 840 | V | 65.3 | Low | 72.5 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.9 | 178.5 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | Y838 | Y838-V840 PolarHBondContact O-N 3.19Å; Y838-V840 VanDerWaalsContact O-N 3.07Å |
| 841 | A | 62.6 | Low | 71.6 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -82.6 | -11.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y838 L839 | Y838-A841 WeakPolarHBondContact O-CB 3.36Å; Y838-A841 PolarHBondContact O-N 3.09Å; L839-A841 PolarHBondContact O-N 2.7Å |
| 842 | Y | 64.7 | Low | 70.6 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -91.2 | 159.6 | 179.1 | -68 | -81.4 | 0 | 0 | 0 | 112.6 | V765 G802 P803 V806 L839 T846 Q847 L850 | V765-Y842 HydrophobicContact CG1-CE2 3.77Å; V765-Y842 WeakPolarHBondContact CG1-OH 3.24Å; V765-Y842 WeakPolarHBondContact CG2-OH 3.37Å; G802-Y842 PolarHBondContact O-OH 2.91Å; P803-Y842 HydrophobicContact CG-CD1 4.1Å; P803-Y842 HydrophobicContact CG-CE1 3.84Å; V806-Y842 HydrophobicContact CG2-CE2 4.47Å; V806-Y842 WeakPolarHBondContact CG2-OH 3.28Å; L839-Y842 PolarHBondContact O-N 2.73Å; Y842-T846 HydrophobicContact CD1-CG2 3.53Å; Y842-T846 HydrophobicContact CE1-CG2 4.24Å; Y842-T846 HydrophobicContact CG-CG2 3.66Å; Y842-Q847 PolarHBondContact O-NE2 2.91Å; Y842-L850 HydrophobicContact CD2-CD1 3.89Å; Y842-L850 HydrophobicContact CE2-CD1 3.87Å; Y842-L850 HydrophobicContact CG-CD1 4.33Å |
| 843 | N | 66.9 | Low | 69.7 | Low | 95 Ų | 95 | 66.8 Ų | 66.8 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | trans | -65.8 | 161.7 | 174.3 | 76.1 | 10.4 | 0 | 0 | 0 | 112.1 | E845 T846 Q847 | N843-E845 PolarHBondContact O-N 3.29Å; N843-T846 PolarHBondContact O-N 2.73Å; N843-T846 WeakPolarHBondContact OD1-CB 3.46Å; N843-T846 PolarHBondContact OD1-N 2.87Å; N843-T846 PolarHBondContact OD1-OG1 2.88Å; N843-Q847 WeakPolarHBondContact O-CB 3.41Å; N843-Q847 WeakPolarHBondContact O-CG 3.2Å; N843-Q847 PolarHBondContact O-N 3.35Å | ||
| 844 | K | 64.1 | Low | 69.5 | Low | 177 Ų | 177 | 61.3 Ų | 61.3 | 77% | 0.77 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.4 | -32.6 | -173.7 | -174.2 | 179.1 | 177.7 | -176.2 | 0 | 113.8 | T848 | K844-T848 PolarHBondContact O-N 2.83Å; K844-T848 VanDerWaalsContact O-N 3.1Å; K844-T848 PolarHBondContact O-OG1 3.13Å |
| 845 | E | 65.1 | Low | 69 | Low | 148 Ų | 148 | 57 Ų | 57 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.8 | -51.6 | 177.2 | 179.3 | 168.4 | -148.6 | 0 | 0 | 111.4 | N843 Q847 T848 V849 | N843-E845 PolarHBondContact O-N 3.29Å; E845-Q847 VanDerWaalsContact C-N 3.33Å; E845-Q847 PolarHBondContact O-N 3.06Å; E845-T848 CarbonylContact O-C 3.46Å; E845-T848 WeakPolarHBondContact O-CA 3.45Å; E845-T848 VanDerWaalsContact O-CB 3.26Å; E845-T848 WeakPolarHBondContact O-CB 3.32Å; E845-T848 PolarHBondContact O-N 2.87Å; E845-V849 PolarHBondContact O-N 2.89Å |
| 846 | T | 62.7 | Low | 68.7 | Low | 22 Ų | 22 | 58.2 Ų | 58.2 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 174 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | P803 Y842 N843 T848 V849 L850 | P803-T846 HydrophobicContact CB-CG2 3.86Å; P803-T846 HydrophobicContact CG-CG2 3.62Å; Y842-T846 HydrophobicContact CD1-CG2 3.53Å; Y842-T846 HydrophobicContact CE1-CG2 4.24Å; Y842-T846 HydrophobicContact CG-CG2 3.66Å; N843-T846 PolarHBondContact O-N 2.73Å; N843-T846 WeakPolarHBondContact OD1-CB 3.46Å; N843-T846 PolarHBondContact OD1-N 2.87Å; N843-T846 PolarHBondContact OD1-OG1 2.88Å; T846-T848 PolarHBondContact O-N 2.81Å; T846-V849 PolarHBondContact O-N 3.29Å; T846-V849 VanDerWaalsContact O-N 3.11Å; T846-L850 HydrophobicContact CG2-CD1 3.81Å; T846-L850 HydrophobicContact CG2-CG 4.15Å; T846-L850 WeakPolarHBondContact O-CB 3.5Å; T846-L850 WeakPolarHBondContact O-CG 3.35Å; T846-L850 PolarHBondContact O-N 3.33Å |
| 847 | Q | 65.1 | Low | 69 | Low | 55 Ų | 55 | 56.8 Ų | 56.8 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.1 | -36.4 | 172 | -75 | -175.4 | 23.1 | 0 | 0 | 111.5 | L839 Y842 N843 E845 Q851 | L839-Q847 VanDerWaalsContact O-CG 3.3Å; L839-Q847 WeakPolarHBondContact O-CG 3.08Å; L839-Q847 PolarHBondContact O-NE2 3.3Å; Y842-Q847 PolarHBondContact O-NE2 2.91Å; N843-Q847 WeakPolarHBondContact O-CB 3.41Å; N843-Q847 WeakPolarHBondContact O-CG 3.2Å; N843-Q847 PolarHBondContact O-N 3.35Å; E845-Q847 VanDerWaalsContact C-N 3.33Å; E845-Q847 PolarHBondContact O-N 3.06Å; Q847-Q851 WeakPolarHBondContact O-CB 3.46Å; Q847-Q851 WeakPolarHBondContact O-CG 3.29Å; Q847-Q851 PolarHBondContact O-N 2.96Å |
| 848 | T | 66.5 | Low | 69.3 | Low | 60 Ų | 60 | 54.2 Ų | 54.2 | 37% | 0.368 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.4 | -36.9 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 112 | K844 E845 T846 K852 | K844-T848 PolarHBondContact O-N 2.83Å; K844-T848 VanDerWaalsContact O-N 3.1Å; K844-T848 PolarHBondContact O-OG1 3.13Å; E845-T848 CarbonylContact O-C 3.46Å; E845-T848 WeakPolarHBondContact O-CA 3.45Å; E845-T848 VanDerWaalsContact O-CB 3.26Å; E845-T848 WeakPolarHBondContact O-CB 3.32Å; E845-T848 PolarHBondContact O-N 2.87Å; T846-T848 PolarHBondContact O-N 2.81Å; T848-K852 WeakPolarHBondContact O-CG 3.47Å; T848-K852 PolarHBondContact O-N 2.79Å |
| 849 | V | 65.7 | Low | 69.4 | Low | 74 Ų | 74 | 55 Ų | 55 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.3 | -49.4 | 173 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | E845 T846 Q851 K852 | E845-V849 PolarHBondContact O-N 2.89Å; T846-V849 PolarHBondContact O-N 3.29Å; T846-V849 VanDerWaalsContact O-N 3.11Å; V849-Q851 PolarHBondContact O-N 2.97Å; V849-K852 WeakPolarHBondContact O-CB 3.39Å; V849-K852 PolarHBondContact O-N 3.16Å; V849-K852 VanDerWaalsContact O-N 3.15Å |
| 850 | L | 67.7 | Low | 69.9 | Low | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.2 | -33.6 | 179.6 | -64.9 | 178.9 | 0 | 0 | 0 | 112.1 | V806 K807 F810 L839 Y842 T846 K852 A853 I854 | V806-L850 HydrophobicContact CB-CD1 4.42Å; V806-L850 HydrophobicContact CB-CD2 4.13Å; V806-L850 HydrophobicContact CG1-CD1 4.13Å; V806-L850 HydrophobicContact CG1-CD2 3.93Å; K807-L850 HydrophobicContact CB-CD2 4.37Å; F810-L850 HydrophobicContact CD2-CD2 4.43Å; F810-L850 HydrophobicContact CE2-CB 4.32Å; F810-L850 HydrophobicContact CE2-CD2 4.4Å; L839-L850 HydrophobicContact CD2-CB 3.72Å; L839-L850 HydrophobicContact CD2-CD1 3.55Å; L839-L850 HydrophobicContact CD2-CG 4.25Å; Y842-L850 HydrophobicContact CD2-CD1 3.89Å; Y842-L850 HydrophobicContact CE2-CD1 3.87Å; Y842-L850 HydrophobicContact CG-CD1 4.33Å; T846-L850 HydrophobicContact CG2-CD1 3.81Å; T846-L850 HydrophobicContact CG2-CG 4.15Å; T846-L850 WeakPolarHBondContact O-CB 3.5Å; T846-L850 WeakPolarHBondContact O-CG 3.35Å; T846-L850 PolarHBondContact O-N 3.33Å; L850-K852 VanDerWaalsContact C-N 3.26Å; L850-K852 PolarHBondContact O-N 3.22Å; L850-A853 WeakPolarHBondContact O-CB 3.16Å; L850-A853 PolarHBondContact O-N 2.91Å; L850-I854 WeakPolarHBondContact O-CG1 3.25Å; L850-I854 PolarHBondContact O-N 2.96Å; L850-I854 VanDerWaalsContact O-N 3.11Å |
| 851 | Q | 68 | Low | 70.7 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -31.8 | 170.8 | -82 | 169.9 | 32.3 | 0 | 0 | 113.1 | Q847 V849 A853 I854 | Q847-Q851 WeakPolarHBondContact O-CB 3.46Å; Q847-Q851 WeakPolarHBondContact O-CG 3.29Å; Q847-Q851 PolarHBondContact O-N 2.96Å; V849-Q851 PolarHBondContact O-N 2.97Å; Q851-A853 VanDerWaalsContact C-N 3.31Å; Q851-A853 PolarHBondContact O-N 2.64Å; Q851-I854 HydrophobicContact CG-CD1 4.26Å; Q851-I854 PolarHBondContact O-N 2.9Å |
| 852 | K | 69.1 | Low | 71.3 | Confident | 152 Ų | 152 | 50 Ų | 50 | 66% | 0.661 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67.8 | -30.5 | 173 | -67.4 | 171.4 | -179.2 | 179.1 | 0 | 112.3 | T848 V849 L850 P856 | T848-K852 WeakPolarHBondContact O-CG 3.47Å; T848-K852 PolarHBondContact O-N 2.79Å; V849-K852 WeakPolarHBondContact O-CB 3.39Å; V849-K852 PolarHBondContact O-N 3.16Å; V849-K852 VanDerWaalsContact O-N 3.15Å; L850-K852 VanDerWaalsContact C-N 3.26Å; L850-K852 PolarHBondContact O-N 3.22Å; K852-P856 WeakPolarHBondContact O-CD 3.29Å |
| 853 | A | 72 | Confident | 71.6 | Confident | 24 Ų | 24 | 53 Ų | 53 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -79.2 | -25.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F810 L850 Q851 G855 P856 | F810-A853 HydrophobicContact CB-CB 4.17Å; F810-A853 HydrophobicContact CD2-CB 3.83Å; F810-A853 HydrophobicContact CG-CB 4.47Å; L850-A853 WeakPolarHBondContact O-CB 3.16Å; L850-A853 PolarHBondContact O-N 2.91Å; Q851-A853 VanDerWaalsContact C-N 3.31Å; Q851-A853 PolarHBondContact O-N 2.64Å; A853-G855 VanDerWaalsContact C-N 3.26Å; A853-G855 PolarHBondContact O-N 3.44Å; A853-P856 WeakPolarHBondContact O-CD 3.41Å |
| 854 | I | 76.9 | Confident | 72 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -32.4 | 171 | -64.9 | 166 | 0 | 0 | 0 | 111.7 | F810 F832 L836 L839 L850 Q851 I857 L858 | F810-I854 HydrophobicContact CE2-CG1 4.21Å; F810-I854 HydrophobicContact CZ-CG1 4.41Å; F832-I854 HydrophobicContact CZ-CG2 4.21Å; L836-I854 HydrophobicContact CD2-CD1 3.91Å; L836-I854 HydrophobicContact CD2-CG1 4.22Å; L839-I854 HydrophobicContact CD1-CD1 3.4Å; L839-I854 VanDerWaalsContact CD1-CD1 3.4Å; L839-I854 HydrophobicContact CD1-CG1 4.35Å; L850-I854 WeakPolarHBondContact O-CG1 3.25Å; L850-I854 PolarHBondContact O-N 2.96Å; L850-I854 VanDerWaalsContact O-N 3.11Å; Q851-I854 HydrophobicContact CG-CD1 4.26Å; Q851-I854 PolarHBondContact O-N 2.9Å; I854-I857 WeakPolarHBondContact O-CB 3.3Å; I854-I857 PolarHBondContact O-N 2.86Å; I854-L858 HydrophobicContact CG2-CD1 3.74Å; I854-L858 HydrophobicContact CG2-CG 3.89Å; I854-L858 PolarHBondContact O-N 3.39Å |
| 855 | G | 71.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.9 | -55.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | A853 I857 L858 R859 E975 | A853-G855 VanDerWaalsContact C-N 3.26Å; A853-G855 PolarHBondContact O-N 3.44Å; G855-I857 VanDerWaalsContact C-N 3.28Å; G855-I857 PolarHBondContact O-N 3.39Å; G855-L858 PolarHBondContact O-N 3.38Å; G855-R859 WeakPolarHBondContact O-CG 3.26Å; G855-R859 PolarHBondContact O-N 3.07Å; G855-E975 VanDerWaalsContact CA-OE1 3.28Å; G855-E975 WeakPolarHBondContact CA-OE1 3.32Å |
| 856 | P | 78.7 | Confident | 72.4 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -50.5 | -44.2 | 172.9 | -28.6 | 33.1 | 0 | 0 | 0 | 114.1 | Q814 K852 A853 R859 R860 | Q814-P856 HydrophobicContact CG-CB 3.97Å; K852-P856 WeakPolarHBondContact O-CD 3.29Å; A853-P856 WeakPolarHBondContact O-CD 3.41Å; P856-R859 PolarHBondContact O-N 3.47Å; P856-R860 PolarHBondContact O-N 3.36Å |
| 857 | I | 83.6 | Confident | 72.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -50.7 | 178 | -63.7 | 167.6 | 0 | 0 | 0 | 110.3 | F810 I813 Q814 L817 F832 I854 G855 R859 R860 L861 | F810-I857 HydrophobicContact CB-CD1 4.04Å; F810-I857 HydrophobicContact CD1-CD1 4.01Å; F810-I857 HydrophobicContact CG-CD1 4.18Å; I813-I857 HydrophobicContact CB-CD1 4.42Å; I813-I857 HydrophobicContact CG2-CD1 3.9Å; I813-I857 HydrophobicContact CG2-CG1 4.36Å; Q814-I857 HydrophobicContact CB-CG1 4.13Å; L817-I857 HydrophobicContact CD1-CG2 3.64Å; F832-I857 HydrophobicContact CD1-CG2 3.99Å; F832-I857 HydrophobicContact CD2-CD1 3.79Å; F832-I857 HydrophobicContact CD2-CG2 4.1Å; F832-I857 HydrophobicContact CE1-CG2 3.6Å; F832-I857 HydrophobicContact CE2-CB 4.17Å; F832-I857 HydrophobicContact CE2-CD1 3.59Å; F832-I857 HydrophobicContact CE2-CG1 4.48Å; F832-I857 HydrophobicContact CE2-CG2 3.74Å; F832-I857 HydrophobicContact CG-CG2 4.23Å; F832-I857 HydrophobicContact CZ-CB 4.1Å; F832-I857 HydrophobicContact CZ-CD1 4.38Å; F832-I857 HydrophobicContact CZ-CG2 3.46Å; F832-I857 VanDerWaalsContact CZ-CG2 3.46Å; I854-I857 WeakPolarHBondContact O-CB 3.3Å; I854-I857 PolarHBondContact O-N 2.86Å; G855-I857 VanDerWaalsContact C-N 3.28Å; G855-I857 PolarHBondContact O-N 3.39Å; I857-R859 VanDerWaalsContact C-N 3.28Å; I857-R859 PolarHBondContact O-N 2.88Å; I857-R860 PolarHBondContact O-N 2.96Å; I857-L861 HydrophobicContact CG2-CD1 4.18Å; I857-L861 HydrophobicContact CG2-CG 4.35Å; I857-L861 WeakPolarHBondContact O-CG 3.31Å; I857-L861 PolarHBondContact O-N 2.74Å |
| 858 | L | 79.3 | Confident | 72.2 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -41.8 | 175 | -75.7 | 176.6 | 0 | 0 | 0 | 112 | I854 G855 R860 L862 L959 L962 I972 E975 | I854-L858 HydrophobicContact CG2-CD1 3.74Å; I854-L858 HydrophobicContact CG2-CG 3.89Å; I854-L858 PolarHBondContact O-N 3.39Å; G855-L858 PolarHBondContact O-N 3.38Å; L858-R860 VanDerWaalsContact C-N 3.28Å; L858-R860 PolarHBondContact O-N 3.41Å; L858-L862 VanDerWaalsContact O-CB 3.27Å; L858-L862 WeakPolarHBondContact O-CB 3.4Å; L858-L862 WeakPolarHBondContact O-CG 3.31Å; L858-L862 PolarHBondContact O-N 2.79Å; L858-L959 HydrophobicContact CD2-CD2 3.78Å; L858-L962 HydrophobicContact CD2-CD1 3.96Å; L858-I972 HydrophobicContact CD1-CG1 3.98Å; L858-I972 HydrophobicContact CD2-CD1 4.09Å; L858-I972 HydrophobicContact CD2-CG1 4.08Å; L858-E975 HydrophobicContact CD1-CB 4.07Å; L858-E975 HydrophobicContact CD1-CG 4.21Å |
| 859 | R | 73.7 | Confident | 72.1 | Confident | 75 Ų | 75 | 31.7 Ų | 31.7 | 28% | 0.283 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -70.1 | -20.8 | 177.3 | -66.4 | -175.4 | -58 | -100.9 | 10.7 | 113.4 | G855 P856 I857 R863 E975 | G855-R859 WeakPolarHBondContact O-CG 3.26Å; G855-R859 PolarHBondContact O-N 3.07Å; P856-R859 PolarHBondContact O-N 3.47Å; I857-R859 VanDerWaalsContact C-N 3.28Å; I857-R859 PolarHBondContact O-N 2.88Å; R859-R863 WeakPolarHBondContact O-CB 3.23Å; R859-R863 WeakPolarHBondContact O-CG 3.27Å; R859-R863 PolarHBondContact O-N 2.73Å; R859-R863 PolarHBondContact O-NE 3.49Å; R859-E975 IonicContact CZ-OE2 2.81Å; R859-E975 IonicContact NH1-OE1 3.16Å; R859-E975 PolarHBondContact NH1-OE1 2.89Å; R859-E975 IonicContact NH1-OE2 3.81Å; R859-E975 PolarHBondContact NH1-OE2 3.35Å |
| 860 | R | 78.7 | Confident | 71.7 | Confident | 49 Ų | 49 | 33 Ų | 33 | 19% | 0.185 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -84.7 | -45 | 174 | -142.8 | 161.2 | -167.5 | 178.6 | -6.2 | 111 | Q814 D818 P856 I857 L858 L862 R863 F864 | Q814-R860 WeakPolarHBondContact O-CD 3.47Å; Q814-R860 PolarHBondContact O-NH1 2.62Å; D818-R860 IonicContact OD1-CZ 2.68Å; D818-R860 IonicContact OD1-NE 3.38Å; D818-R860 PolarHBondContact OD1-NE 2.84Å; D818-R860 IonicContact OD1-NH2 3.2Å; D818-R860 PolarHBondContact OD1-NH2 3.22Å; D818-R860 WeakPolarHBondContact OD2-CD 3.34Å; D818-R860 VanDerWaalsContact OD2-CG 3.26Å; D818-R860 WeakPolarHBondContact OD2-CG 3.37Å; D818-R860 IonicContact OD2-CZ 2.69Å; D818-R860 IonicContact OD2-NE 2.74Å; D818-R860 PolarHBondContact OD2-NE 2.97Å; D818-R860 IonicContact OD2-NH2 2.75Å; P856-R860 PolarHBondContact O-N 3.36Å; I857-R860 PolarHBondContact O-N 2.96Å; L858-R860 VanDerWaalsContact C-N 3.28Å; L858-R860 PolarHBondContact O-N 3.41Å; R860-L862 VanDerWaalsContact C-N 3.34Å; R860-L862 PolarHBondContact O-N 3.34Å; R860-R863 PolarHBondContact O-N 3.34Å; R860-F864 PolarHBondContact O-N 3.47Å |
| 861 | L | 82.3 | Confident | 71.1 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -38.8 | 171.2 | -63.4 | -178.6 | 0 | 0 | 0 | 113 | L817 L829 F832 I857 F864 V865 A955 T958 L959 | L817-L861 HydrophobicContact CD1-CD2 3.96Å; L817-L861 HydrophobicContact CD1-CG 4.32Å; L817-L861 HydrophobicContact CD2-CD2 3.92Å; L817-L861 HydrophobicContact CG-CD2 4.5Å; L829-L861 HydrophobicContact CD2-CD1 3.95Å; L829-L861 HydrophobicContact CD2-CD2 3.71Å; L829-L861 HydrophobicContact CD2-CG 4.5Å; F832-L861 HydrophobicContact CD1-CD1 4.44Å; F832-L861 HydrophobicContact CE1-CD1 4.11Å; I857-L861 HydrophobicContact CG2-CD1 4.18Å; I857-L861 HydrophobicContact CG2-CG 4.35Å; I857-L861 WeakPolarHBondContact O-CG 3.31Å; I857-L861 PolarHBondContact O-N 2.74Å; L861-F864 PolarHBondContact O-N 2.96Å; L861-V865 WeakPolarHBondContact O-CG2 3.3Å; L861-V865 PolarHBondContact O-N 3.44Å; L861-A955 HydrophobicContact CD2-CB 4.14Å; L861-T958 HydrophobicContact CD1-CG2 4.3Å; L861-L959 HydrophobicContact CB-CD1 4.47Å; L861-L959 HydrophobicContact CB-CD2 4.4Å; L861-L959 HydrophobicContact CB-CG 4.5Å |
| 862 | L | 74 | Confident | 70.4 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -44.4 | 174.1 | -75.4 | 170.7 | 0 | 0 | 0 | 111.9 | L858 R860 F864 G866 L959 V976 A979 L983 M991 | L858-L862 VanDerWaalsContact O-CB 3.27Å; L858-L862 WeakPolarHBondContact O-CB 3.4Å; L858-L862 WeakPolarHBondContact O-CG 3.31Å; L858-L862 PolarHBondContact O-N 2.79Å; R860-L862 VanDerWaalsContact C-N 3.34Å; R860-L862 PolarHBondContact O-N 3.34Å; L862-F864 VanDerWaalsContact C-N 3.29Å; L862-F864 PolarHBondContact O-N 3.38Å; L862-G866 PolarHBondContact O-N 2.73Å; L862-L959 HydrophobicContact CD2-CD1 3.92Å; L862-L959 HydrophobicContact CD2-CD2 4.21Å; L862-L959 HydrophobicContact CG-CD1 4.45Å; L862-L959 HydrophobicContact CG-CD2 4.26Å; L862-V976 HydrophobicContact CD1-CG2 4.43Å; L862-A979 HydrophobicContact CD1-CB 3.66Å; L862-L983 HydrophobicContact CB-CD1 4.06Å; L862-L983 HydrophobicContact CD2-CD1 4.23Å; L862-M991 HydrophobicContact CD2-CE 3.66Å; L862-M991 HydrophobicContact CD2-SD 3.75Å |
| 863 | R | 71.4 | Confident | 69.2 | Low | 87 Ų | 87 | 29.1 Ų | 29.1 | 33% | 0.328 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 172.9 | -86.5 | -174.3 | -67.4 | 161.1 | 1 | 111.9 | R859 R860 G867 Q868 S869 C982 | R859-R863 WeakPolarHBondContact O-CB 3.23Å; R859-R863 WeakPolarHBondContact O-CG 3.27Å; R859-R863 PolarHBondContact O-N 2.73Å; R859-R863 PolarHBondContact O-NE 3.49Å; R860-R863 PolarHBondContact O-N 3.34Å; R863-G867 PolarHBondContact O-N 2.73Å; R863-Q868 HydrophobicContact CB-CB 4.23Å; R863-Q868 HydrophobicContact CG-CB 4.12Å; R863-Q868 CarbonylContact O-C 3.55Å; R863-Q868 WeakPolarHBondContact O-CA 3.15Å; R863-Q868 PolarHBondContact O-N 3.09Å; R863-S869 PolarHBondContact O-N 3.5Å; R863-C982 HydrophobicContact CG-CB 4.46Å; R863-C982 WeakPolarHBondContact CG-O 3.28Å |
| 864 | F | 75.3 | Confident | 67.8 | Low | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.5 | -63.4 | 174.4 | -168 | -95.1 | 0 | 0 | 0 | 111.2 | F825 R860 L861 L862 G866 G867 L871 W872 F948 R951 C952 A955 | F825-F864 HydrophobicContact CE2-CD2 4.43Å; F825-F864 HydrophobicContact CE2-CE1 4.41Å; F825-F864 HydrophobicContact CE2-CE2 4.3Å; F825-F864 HydrophobicContact CE2-CZ 4.3Å; F825-F864 HydrophobicContact CZ-CD1 4.09Å; F825-F864 AromaticContact CZ-CE1 3.87Å; F825-F864 HydrophobicContact CZ-CE1 3.87Å; F825-F864 HydrophobicContact CZ-CZ 4.13Å; R860-F864 PolarHBondContact O-N 3.47Å; L861-F864 PolarHBondContact O-N 2.96Å; L862-F864 VanDerWaalsContact C-N 3.29Å; L862-F864 PolarHBondContact O-N 3.38Å; F864-G866 PolarHBondContact O-N 2.91Å; F864-G867 PolarHBondContact O-N 3.46Å; F864-G867 VanDerWaalsContact O-N 3.1Å; F864-L871 HydrophobicContact CD2-CB 4.34Å; F864-L871 HydrophobicContact CD2-CD1 4.33Å; F864-L871 HydrophobicContact CE2-CB 3.92Å; F864-L871 HydrophobicContact CE2-CD1 3.84Å; F864-W872 AromaticContact CD2-CD1 3.91Å; F864-W872 PolarHBondContact O-NE1 3.12Å; F864-F948 HydrophobicContact CE2-CE2 4.2Å; F864-F948 HydrophobicContact CZ-CD2 4.39Å; F864-F948 HydrophobicContact CZ-CE2 4.19Å; F864-R951 HydrophobicContact CE1-CB 3.73Å; F864-R951 HydrophobicContact CZ-CB 3.68Å; F864-C952 HydrophobicContact CE1-CB 4.32Å; F864-C952 WeakPolarHBondContact CE1-SG 3.15Å; F864-A955 HydrophobicContact CD1-CB 4.26Å |
| 865 | V | 72.2 | Confident | 65.9 | Low | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63 | -18.7 | -175.7 | -179.3 | 0 | 0 | 0 | 0 | 113.6 | L861 A955 L956 L959 M991 F994 | L861-V865 WeakPolarHBondContact O-CG2 3.3Å; L861-V865 PolarHBondContact O-N 3.44Å; V865-A955 HydrophobicContact CG2-CB 3.47Å; V865-A955 VanDerWaalsContact CG2-CB 3.47Å; V865-L956 HydrophobicContact CG1-CB 4.18Å; V865-L956 HydrophobicContact CG2-CB 4.5Å; V865-L959 HydrophobicContact CB-CD1 4.41Å; V865-L959 HydrophobicContact CG2-CD1 4.14Å; V865-M991 HydrophobicContact CB-CE 4.17Å; V865-M991 HydrophobicContact CG1-CE 3.85Å; V865-M991 HydrophobicContact CG1-CG 4.32Å; V865-F994 HydrophobicContact CG1-CD1 3.75Å; V865-F994 HydrophobicContact CG1-CE1 4.29Å |
| 866 | G | 64.9 | Low | 64 | Low | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 17 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | L862 F864 G987 | L862-G866 PolarHBondContact O-N 2.73Å; F864-G866 PolarHBondContact O-N 2.91Å; G866-G987 WeakPolarHBondContact O-CA 3.47Å |
| 867 | G | 64.1 | Low | 61.6 | Low | 18 Ų | 18 | 45.2 Ų | 45.2 | 19% | 0.186 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 29.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | R863 F864 W872 | R863-G867 PolarHBondContact O-N 2.73Å; F864-G867 PolarHBondContact O-N 3.46Å; F864-G867 VanDerWaalsContact O-N 3.1Å; G867-W872 VanDerWaalsContact CA-CD2 3.46Å |
| 868 | Q | 60.5 | Low | 59 | Low | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | trans | -145.1 | 22.8 | -166.3 | -61.8 | -74.5 | -94 | 0 | 0 | 114.1 | R863 P984 | R863-Q868 HydrophobicContact CB-CB 4.23Å; R863-Q868 HydrophobicContact CG-CB 4.12Å; R863-Q868 CarbonylContact O-C 3.55Å; R863-Q868 WeakPolarHBondContact O-CA 3.15Å; R863-Q868 PolarHBondContact O-N 3.09Å; Q868-P984 HydrophobicContact CG-CG 3.94Å | ||
| 869 | S | 64.6 | Low | 56.6 | Low | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -89.9 | 159.8 | 169.1 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | D818 R863 L871 W872 N873 | D818-S869 PolarHBondContact OD1-OG 3.2Å; R863-S869 PolarHBondContact O-N 3.5Å; S869-L871 PolarHBondContact O-N 2.94Å; S869-L871 PolarHBondContact OG-N 2.88Å; S869-W872 WeakPolarHBondContact O-CA 3.41Å; S869-W872 VanDerWaalsContact O-CB 3.3Å; S869-W872 WeakPolarHBondContact O-CB 3.33Å; S869-W872 PolarHBondContact O-N 3.49Å; S869-N873 PolarHBondContact O-N 2.88Å |
| 870 | N | 56.3 | Low | 54.3 | Low | 101 Ų | 101 | 57.8 Ų | 57.8 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -33.7 | 171.6 | -69.2 | 8.1 | 0 | 0 | 0 | 111.1 | W872 N873 L874 | N870-W872 PolarHBondContact O-N 3.19Å; N870-N873 PolarHBondContact O-N 2.82Å; N870-L874 PolarHBondContact O-N 3.17Å |
| 871 | L | 56.3 | Low | 51.7 | Low | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -28.2 | 169.6 | -70.2 | -179.6 | 0 | 0 | 0 | 113.4 | F825 F864 S869 L874 | F825-L871 HydrophobicContact CD2-CD1 4.48Å; F864-L871 HydrophobicContact CD2-CB 4.34Å; F864-L871 HydrophobicContact CD2-CD1 4.33Å; F864-L871 HydrophobicContact CE2-CB 3.92Å; F864-L871 HydrophobicContact CE2-CD1 3.84Å; S869-L871 PolarHBondContact O-N 2.94Å; S869-L871 PolarHBondContact OG-N 2.88Å; L871-L874 HydrophobicContact CD2-CD1 4.23Å |
| 872 | W | 53.6 | Low | 48.9 | Very low | 54 Ų | 54 | 67 Ų | 67 | 21% | 0.205 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -75.8 | -29.3 | 172.4 | -91.3 | 74.8 | 0 | 0 | 0 | 112.6 | F864 G867 S869 N870 R875 F948 H990 | F864-W872 AromaticContact CD2-CD1 3.91Å; F864-W872 PolarHBondContact O-NE1 3.12Å; G867-W872 VanDerWaalsContact CA-CD2 3.46Å; S869-W872 WeakPolarHBondContact O-CA 3.41Å; S869-W872 VanDerWaalsContact O-CB 3.3Å; S869-W872 WeakPolarHBondContact O-CB 3.33Å; S869-W872 PolarHBondContact O-N 3.49Å; N870-W872 PolarHBondContact O-N 3.19Å; W872-R875 VanDerWaalsContact O-CB 3.25Å; W872-R875 WeakPolarHBondContact O-CB 3.48Å; W872-F948 HydrophobicContact CB-CZ 4.35Å; W872-F948 AromaticContact CD1-CZ 3.39Å; W872-F948 AromaticContact CD2-CE1 3.75Å; W872-F948 HydrophobicContact CD2-CE1 3.75Å; W872-F948 AromaticContact CD2-CZ 3.47Å; W872-F948 HydrophobicContact CD2-CZ 3.47Å; W872-F948 VanDerWaalsContact CD2-CZ 3.47Å; W872-F948 AromaticContact CE2-CE1 3.38Å; W872-F948 AromaticContact CE2-CZ 3.41Å; W872-F948 VanDerWaalsContact CE2-CZ 3.41Å; W872-F948 HydrophobicContact CE3-CE1 4.21Å; W872-F948 HydrophobicContact CE3-CZ 4.19Å; W872-F948 HydrophobicContact CG-CE1 4.29Å; W872-F948 HydrophobicContact CG-CE2 4.45Å; W872-F948 AromaticContact CG-CZ 3.53Å; W872-F948 HydrophobicContact CG-CZ 3.53Å; W872-F948 HydrophobicContact CH2-CE1 4.12Å; W872-F948 AromaticContact CZ2-CE1 3.62Å; W872-F948 HydrophobicContact CZ2-CE1 3.62Å; W872-F948 HydrophobicContact CZ2-CZ 4.15Å; W872-F948 HydrophobicContact CZ3-CE1 4.38Å; W872-F948 AromaticContact NE1-CE1 3.6Å; W872-F948 AromaticContact NE1-CZ 3.26Å; W872-F948 VanDerWaalsContact NE1-CZ 3.26Å; W872-H990 AromaticContact CH2-CE1 3.91Å; W872-H990 AromaticContact CH2-NE2 3.85Å |
| 873 | N | 43.7 | Very low | 46.4 | Very low | 54 Ų | 54 | 75 Ų | 75 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -79.9 | -35.6 | -179.8 | -59.4 | -11.6 | 0 | 0 | 0 | 111.4 | S869 N870 R875 N876 F880 | S869-N873 PolarHBondContact O-N 2.88Å; N870-N873 PolarHBondContact O-N 2.82Å; N873-R875 PolarHBondContact O-N 3.4Å; N873-N876 CarbonylContact O-C 3.49Å; N873-N876 PolarHBondContact O-N 3.25Å; N873-F880 HydrophobicContact CB-CE2 4.33Å |
| 874 | L | 42 | Very low | 44.1 | Very low | 100 Ų | 100 | 74.3 Ų | 74.3 | 52% | 0.524 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.6 | -30.1 | 170.5 | -76.2 | 169.2 | 0 | 0 | 0 | 112.6 | N870 L871 N876 | N870-L874 PolarHBondContact O-N 3.17Å; L871-L874 HydrophobicContact CD2-CD1 4.23Å; L874-N876 PolarHBondContact O-N 3.5Å; L874-N876 VanDerWaalsContact O-N 3.12Å |
| 875 | R | 37.5 | Very low | 41.7 | Very low | 106 Ų | 106 | 79.9 Ų | 79.9 | 40% | 0.4 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9.2 | 174.2 | -147.6 | -172.2 | -158.2 | -92.6 | 7.3 | 114 | W872 N873 D945 F948 | W872-R875 VanDerWaalsContact O-CB 3.25Å; W872-R875 WeakPolarHBondContact O-CB 3.48Å; N873-R875 PolarHBondContact O-N 3.4Å; R875-D945 IonicContact CZ-OD1 2.88Å; R875-D945 IonicContact NH1-OD1 2.75Å; R875-D945 PolarHBondContact NH1-OD1 2.97Å; R875-D945 IonicContact NH2-OD1 2.99Å; R875-D945 PolarHBondContact NH2-OD1 3.14Å; R875-F948 VanDerWaalsContact NE-CE1 3.26Å |
| 876 | N | 32 | Very low | 39.4 | Very low | 82 Ų | 82 | 87.7 Ų | 87.7 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | trans | -153.2 | 75.6 | -175.7 | -162.6 | 20.9 | 0 | 0 | 0 | 111.8 | N873 L874 E878 S879 | N873-N876 CarbonylContact O-C 3.49Å; N873-N876 PolarHBondContact O-N 3.25Å; L874-N876 PolarHBondContact O-N 3.5Å; L874-N876 VanDerWaalsContact O-N 3.12Å; N876-E878 PolarHBondContact O-N 3.42Å; N876-E878 VanDerWaalsContact O-N 3.08Å; N876-S879 WeakPolarHBondContact O-CB 3.21Å; N876-S879 PolarHBondContact O-N 2.87Å; N876-S879 PolarHBondContact O-OG 2.76Å | ||
| 877 | P | 28.1 | Very low | 37.5 | Very low | 104 Ų | 104 | 94.4 Ų | 94.4 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -60.3 | -21.9 | -174.3 | 21.8 | -33.4 | 0 | 0 | 0 | 114.7 | S879 F880 | P877-S879 PolarHBondContact O-N 2.79Å; P877-F880 WeakPolarHBondContact O-CB 3.18Å; P877-F880 PolarHBondContact O-N 3.23Å; P877-F880 VanDerWaalsContact O-N 3.12Å |
| 878 | E | 28 | Very low | 35.6 | Very low | 121 Ų | 121 | 100.4 Ų | 100.4 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -66 | -13.1 | 171.3 | -73.8 | 175.6 | 178.7 | 0 | 0 | 113.8 | K164 N876 F880 | K164-E878 VanDerWaalsContact CE-CD 3.46Å; K164-E878 WeakPolarHBondContact CE-OE1 3.28Å; K164-E878 IonicContact NZ-OE1 3.74Å; K164-E878 PolarHBondContact NZ-OE1 3.07Å; K164-E878 IonicContact NZ-OE2 2.67Å; K164-E878 PolarHBondContact NZ-OE2 3.43Å; N876-E878 PolarHBondContact O-N 3.42Å; N876-E878 VanDerWaalsContact O-N 3.08Å; E878-F880 PolarHBondContact O-N 3.41Å |
| 879 | S | 30.4 | Very low | 34 | Very low | 62 Ų | 62 | 101.7 Ų | 101.7 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -81 | 0.5 | 172.3 | 68 | 0 | 0 | 0 | 0 | 114.1 | N876 P877 | N876-S879 WeakPolarHBondContact O-CB 3.21Å; N876-S879 PolarHBondContact O-N 2.87Å; N876-S879 PolarHBondContact O-OG 2.76Å; P877-S879 PolarHBondContact O-N 2.79Å |
| 880 | F | 25.5 | Very low | 32.2 | Very low | 158 Ų | 158 | 107.5 Ų | 107.5 | 69% | 0.693 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -93.9 | 3.4 | 177 | -111.4 | -88 | 0 | 0 | 0 | 114.8 | N873 P877 E878 P882 | N873-F880 HydrophobicContact CB-CE2 4.33Å; P877-F880 WeakPolarHBondContact O-CB 3.18Å; P877-F880 PolarHBondContact O-N 3.23Å; P877-F880 VanDerWaalsContact O-N 3.12Å; E878-F880 PolarHBondContact O-N 3.41Å; F880-P882 WeakPolarHBondContact O-CD 3.45Å |
| 881 | L | 22.4 | Very low | 31 | Very low | 147 Ų | 147 | 109 Ų | 109 | 77% | 0.77 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -70 | 119.1 | 162.7 | -91.2 | 163.6 | 0 | 0 | 0 | 109.2 | L883 | L881-L883 PolarHBondContact O-N 2.75Š|
| 882 | P | 23.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 114 Ų | 114 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | trans | -73.6 | 126.3 | -174.8 | 29 | -33.8 | 0 | 0 | 0 | 111.1 | F880 A884 | F880-P882 WeakPolarHBondContact O-CD 3.45Å; P882-A884 HydrophobicContact CB-CB 4.3Å; P882-A884 PolarHBondContact O-N 2.86Å | ||
| 883 | L | 23.1 | Very low | 28.4 | Very low | 177 Ų | 177 | 115.7 Ų | 115.7 | 93% | 0.927 | 61% | 0.609 | S | S | * | * | trans | -78.3 | 62.6 | 165.7 | -137.2 | 84.7 | 0 | 0 | 0 | 110.5 | L881 | L881-L883 PolarHBondContact O-N 2.75Š| ||
| 884 | A | 22.8 | Very low | 27.6 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 61% | 0.612 | 63% | 0.629 | S | S | * | * | trans | -116.1 | 42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P882 H886 | P882-A884 HydrophobicContact CB-CB 4.3Å; P882-A884 PolarHBondContact O-N 2.86Å; A884-H886 PolarHBondContact O-N 3.01Å; A884-H886 VanDerWaalsContact O-N 3.12Å | ||
| 885 | T | 24.6 | Very low | 26.9 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | trans | -88.1 | 58 | 176.9 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 886 | H | 23.5 | Very low | 26.2 | Very low | 165 Ų | 165 | 123.2 Ų | 123.2 | 76% | 0.764 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -170.4 | 108.6 | 157 | -103.9 | -80.8 | 0 | 0 | 0 | 105.2 | A884 | A884-H886 PolarHBondContact O-N 3.01Å; A884-H886 VanDerWaalsContact O-N 3.12Å |
| 887 | Q | 24.9 | Very low | 25.9 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | cis | -142.5 | 137.2 | -2.6 | -112 | 159.4 | -70.4 | 0 | 0 | 106.6 | ||||
| 888 | Q | 24.4 | Very low | 25.7 | Very low | 145 Ų | 145 | 126 Ų | 126 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | 60.4 | 133 | 104 | -90.5 | -170.3 | -76.4 | 0 | 0 | 116.1 | |||||
| 889 | N | 26.2 | Very low | 25.4 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | trans | 72.6 | 143.2 | 150.3 | -66.2 | 50.9 | 0 | 0 | 0 | 117.1 | ||||
| 890 | D | 28.1 | Very low | 25.1 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 66% | 0.658 | 69% | 0.686 | S | S | * | * | cis | -157.1 | 176.8 | -8.1 | -92 | -24.9 | 0 | 0 | 0 | 110.5 | ||||
| 891 | D | 30.8 | Very low | 25.3 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | trans | 77.1 | 108.4 | 151.9 | -62.7 | -22.2 | 0 | 0 | 0 | 124.3 | K922 | D891-K922 PolarHBondContact O-NZ 2.67Š| ||
| 892 | E | 28.9 | Very low | 25.3 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 55% | 0.547 | 69% | 0.689 | S | S | . | * | 61.9 | 124.7 | 125.6 | -62.4 | -149.1 | 150.6 | 0 | 0 | 123.6 | K894 K922 | E892-K894 IonicContact OE2-NZ 2.87Å; E892-K894 PolarHBondContact OE2-NZ 3.34Å; E892-K922 PolarHBondContact O-NZ 2.84Å | |||
| 893 | N | 25.1 | Very low | 25.3 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 48% | 0.481 | 69% | 0.692 | S | S | . | * | 10.7 | 121.8 | 116 | -74.8 | -55.6 | 0 | 0 | 0 | 121.2 | D924 | N893-D924 PolarHBondContact ND2-OD1 2.91Å; N893-D924 PolarHBondContact ND2-OD2 3.26Å | |||
| 894 | K | 28.6 | Very low | 25.3 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 70% | 0.7 | 68% | 0.679 | S | S | * | * | trans | 177.3 | 105.5 | 131.3 | -95 | 143.5 | -156.7 | 130.6 | 0 | 109.4 | E892 | E892-K894 IonicContact OE2-NZ 2.87Å; E892-K894 PolarHBondContact OE2-NZ 3.34Å | ||
| 895 | T | 25.5 | Very low | 25.3 | Very low | 117 Ų | 117 | 128 Ų | 128 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | 95 | 148.2 | 81.1 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 896 | I | 24.7 | Very low | 25.2 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 72% | 0.723 | 69% | 0.688 | S | S | * | * | trans | 81.6 | 95.1 | 147.5 | -74.2 | 159.8 | 0 | 0 | 0 | 118.8 | ||||
| 897 | T | 24.9 | Very low | 25.1 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 66% | 0.656 | 68% | 0.684 | S | S | * | * | 64.6 | 148 | 128 | 72.7 | 0 | 0 | 0 | 0 | 124 | |||||
| 898 | N | 24.6 | Very low | 25 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | trans | 77.8 | 117 | 134 | -75.5 | 5.5 | 0 | 0 | 0 | 122.1 | ||||
| 899 | C | 21.8 | Very low | 24.9 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 64% | 0.642 | 70% | 0.696 | S | S | * | * | 78.4 | 122 | 123.1 | -63.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 900 | N | 23.5 | Very low | 24.8 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | trans | 75.1 | 123.9 | 138.4 | -60.2 | -3.5 | 0 | 0 | 0 | 119.1 | ||||
| 901 | P | 28.3 | Very low | 24.5 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | trans | -80.1 | 142.2 | 162.4 | 34.3 | -32.4 | 0 | 0 | 0 | 110.7 | ||||
| 902 | T | 22.5 | Very low | 24.2 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | trans | -171.4 | 155.5 | 150.7 | 5.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 903 | N | 23.9 | Very low | 23.9 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | 66.7 | 108.8 | 149.5 | -68.4 | -15 | 0 | 0 | 0 | 121.8 | ||||
| 904 | N | 23.7 | Very low | 23.8 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | 84.9 | 111.1 | 117.8 | -61.8 | -18.6 | 0 | 0 | 0 | 122.1 | |||||
| 905 | N | 22.4 | Very low | 23.6 | Very low | 148 Ų | 148 | 131 Ų | 131 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | 46.9 | 92.8 | 116.5 | -56.5 | -20.7 | 0 | 0 | 0 | 119.8 | |||||
| 906 | S | 23.4 | Very low | 23.4 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | 176.8 | 114.6 | 138.1 | 29.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 907 | S | 21.9 | Very low | 23.4 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | 81 | 146.8 | 72.7 | 79.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 908 | Y | 21.8 | Very low | 23.3 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | 75.1 | 138.7 | 172.3 | -72.8 | -79.1 | 0 | 0 | 0 | 122 | ||||
| 909 | L | 22.7 | Very low | 23.3 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | 66.9 | 90.4 | 146.3 | -66.6 | 165.9 | 0 | 0 | 0 | 121.1 | G911 | L909-G911 PolarHBondContact O-N 3.21Š| ||
| 910 | A | 23.2 | Very low | 23.3 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | 21.9 | 96.6 | 113.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 911 | G | 22.9 | Very low | 23.3 | Very low | 68 Ų | 68 | 130.7 Ų | 130.7 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -164.5 | 94.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L909 | L909-G911 PolarHBondContact O-N 3.21Š| ||
| 912 | K | 23.6 | Very low | 23 | Very low | 198 Ų | 198 | 132.6 Ų | 132.6 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | 51.3 | 132.2 | 141.4 | -76.6 | 171.1 | 178.9 | 168.5 | 0 | 121.2 | ||||
| 913 | K | 23 | Very low | 23.1 | Very low | 192 Ų | 192 | 130.5 Ų | 130.5 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | 82.8 | 146 | 145.7 | -69.3 | 174.4 | 175.9 | -170.4 | 0 | 119.3 | ||||
| 914 | S | 23.8 | Very low | 23.3 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -51.5 | 130.6 | 160.6 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 915 | V | 22.6 | Very low | 23.4 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -126.3 | 140.1 | 153.1 | -177.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 916 | N | 22.8 | Very low | 23.6 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | trans | -72.2 | 145.8 | 177.8 | -58 | -54.8 | 0 | 0 | 0 | 109.9 | Q918 | N916-Q918 HydrophobicContact CB-CB 4.23Å; N916-Q918 HydrophobicContact CB-CG 3.74Å; N916-Q918 PolarHBondContact ND2-OE1 2.71Å; N916-Q918 VanDerWaalsContact ND2-OE1 3.1Å; N916-Q918 PolarHBondContact O-N 2.83Å | ||
| 917 | C | 24.3 | Very low | 23.8 | Very low | 143 Ų | 143 | 129 Ų | 129 | 97% | 0.966 | 70% | 0.702 | S | S | * | * | trans | -73.1 | 67.2 | 144.2 | -64.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 918 | Q | 23.1 | Very low | 24 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 49% | 0.491 | 69% | 0.693 | S | S | . | * | trans | -61.5 | 134.6 | 157.4 | -86.9 | 156.2 | -77.9 | 0 | 0 | 106.6 | N916 N920 | N916-Q918 HydrophobicContact CB-CB 4.23Å; N916-Q918 HydrophobicContact CB-CG 3.74Å; N916-Q918 PolarHBondContact ND2-OE1 2.71Å; N916-Q918 VanDerWaalsContact ND2-OE1 3.1Å; N916-Q918 PolarHBondContact O-N 2.83Å; Q918-N920 HydrophobicContact CB-CB 4.18Å; Q918-N920 VanDerWaalsContact CB-CG 3.44Å; Q918-N920 VanDerWaalsContact CB-OD1 3.24Å; Q918-N920 WeakPolarHBondContact CB-OD1 3.5Å; Q918-N920 VanDerWaalsContact CD-OD1 3.26Å; Q918-N920 PolarHBondContact NE2-OD1 2.83Å; Q918-N920 PolarHBondContact O-N 2.76Å | ||
| 919 | L | 23 | Very low | 24.4 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 86% | 0.859 | 69% | 0.689 | S | S | * | * | trans | -69.3 | 76.6 | 149 | -113.5 | 165.9 | 0 | 0 | 0 | 106.6 | V921 | L919-V921 HydrophobicContact CD2-CG2 4.01Å; L919-V921 PolarHBondContact O-N 3.37Å | ||
| 920 | N | 22.4 | Very low | 24.7 | Very low | 113 Ų | 113 | 127 Ų | 127 | 60% | 0.604 | 69% | 0.693 | S | S | * | * | trans | -73.8 | 63.9 | 170.8 | -86 | -18.4 | 0 | 0 | 0 | 108.5 | Q918 K922 | Q918-N920 HydrophobicContact CB-CB 4.18Å; Q918-N920 VanDerWaalsContact CB-CG 3.44Å; Q918-N920 VanDerWaalsContact CB-OD1 3.24Å; Q918-N920 WeakPolarHBondContact CB-OD1 3.5Å; Q918-N920 VanDerWaalsContact CD-OD1 3.26Å; Q918-N920 PolarHBondContact NE2-OD1 2.83Å; Q918-N920 PolarHBondContact O-N 2.76Å; N920-K922 VanDerWaalsContact C-N 3.27Å; N920-K922 PolarHBondContact O-N 3.46Å; N920-K922 VanDerWaalsContact O-N 3.09Å | ||
| 921 | V | 24 | Very low | 24.8 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 58% | 0.576 | 68% | 0.684 | S | S | * | * | trans | -64.7 | 104.8 | 145.2 | -168.5 | 0 | 0 | 0 | 0 | 104 | L919 I923 | L919-V921 HydrophobicContact CD2-CG2 4.01Å; L919-V921 PolarHBondContact O-N 3.37Å; V921-I923 HydrophobicContact CB-CD1 4.41Å; V921-I923 HydrophobicContact CB-CG1 3.94Å; V921-I923 HydrophobicContact CG1-CD1 4.28Å; V921-I923 HydrophobicContact CG1-CG1 3.52Å; V921-I923 PolarHBondContact O-N 2.84Å | ||
| 922 | K | 23 | Very low | 25 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 70% | 0.7 | 68% | 0.675 | S | S | * | * | trans | -63.5 | 84.3 | 162.3 | -111.2 | -158 | 170.8 | -153.9 | 0 | 105.5 | D891 E892 N920 D924 | D891-K922 PolarHBondContact O-NZ 2.67Å; E892-K922 PolarHBondContact O-NZ 2.84Å; N920-K922 VanDerWaalsContact C-N 3.27Å; N920-K922 PolarHBondContact O-N 3.46Å; N920-K922 VanDerWaalsContact O-N 3.09Å; K922-D924 PolarHBondContact O-N 3.48Å | ||
| 923 | I | 24.5 | Very low | 25.2 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 40% | 0.4 | 66% | 0.658 | S | S | . | * | trans | -75.5 | 91.9 | 169.2 | -62.8 | 174.2 | 0 | 0 | 0 | 104.7 | V921 E925 L928 | V921-I923 HydrophobicContact CB-CD1 4.41Å; V921-I923 HydrophobicContact CB-CG1 3.94Å; V921-I923 HydrophobicContact CG1-CD1 4.28Å; V921-I923 HydrophobicContact CG1-CG1 3.52Å; V921-I923 PolarHBondContact O-N 2.84Å; I923-E925 PolarHBondContact O-N 2.72Å; I923-L928 HydrophobicContact CD1-CD1 3.87Å; I923-L928 HydrophobicContact CD1-CD2 3.98Å; I923-L928 HydrophobicContact CG1-CD1 4.05Å; I923-L928 HydrophobicContact CG2-CB 3.76Å; I923-L928 HydrophobicContact CG2-CD1 3.82Å; I923-L928 HydrophobicContact CG2-CD2 4.11Å; I923-L928 HydrophobicContact CG2-CG 4.09Å | ||
| 924 | D | 26.6 | Very low | 25.3 | Very low | 42 Ų | 42 | 121.7 Ų | 121.7 | 23% | 0.225 | 66% | 0.661 | C | S | . | * | trans | -55.6 | 111.3 | 164.9 | -162.6 | 66 | 0 | 0 | 0 | 106.4 | N893 K922 N926 N927 | N893-D924 PolarHBondContact ND2-OD1 2.91Å; N893-D924 PolarHBondContact ND2-OD2 3.26Å; K922-D924 PolarHBondContact O-N 3.48Å; D924-N926 PolarHBondContact O-N 3.19Å; D924-N927 PolarHBondContact O-N 2.62Å | ||
| 925 | E | 25.6 | Very low | 25.3 | Very low | 180 Ų | 180 | 123.8 Ų | 123.8 | 84% | 0.841 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -6.1 | -154.8 | -63.4 | -166.7 | 132.6 | 0 | 0 | 114.3 | I923 | I923-E925 PolarHBondContact O-N 2.72Š|
| 926 | N | 27.7 | Very low | 25.4 | Very low | 137 Ų | 137 | 121.8 Ų | 121.8 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -5.8 | 178.9 | -62.9 | -62.1 | 0 | 0 | 0 | 114.9 | D924 | D924-N926 PolarHBondContact O-N 3.19Š|
| 927 | N | 28.3 | Very low | 25.5 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -115.4 | -7 | -173.5 | -92.4 | -51.5 | 0 | 0 | 0 | 116.9 | D924 T929 | D924-N927 PolarHBondContact O-N 2.62Å; N927-T929 PolarHBondContact O-N 2.97Å |
| 928 | L | 26.2 | Very low | 25.5 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 48% | 0.482 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.4 | 10.5 | -177.9 | -151.2 | 75.9 | 0 | 0 | 0 | 114.7 | I923 T932 | I923-L928 HydrophobicContact CD1-CD1 3.87Å; I923-L928 HydrophobicContact CD1-CD2 3.98Å; I923-L928 HydrophobicContact CG1-CD1 4.05Å; I923-L928 HydrophobicContact CG2-CB 3.76Å; I923-L928 HydrophobicContact CG2-CD1 3.82Å; I923-L928 HydrophobicContact CG2-CD2 4.11Å; I923-L928 HydrophobicContact CG2-CG 4.09Å; L928-T932 HydrophobicContact CG-CG2 4.22Å |
| 929 | T | 29.3 | Very low | 25.6 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 1.1 | -174.8 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | N927 | N927-T929 PolarHBondContact O-N 2.97Š|
| 930 | K | 28.4 | Very low | 25.7 | Very low | 197 Ų | 197 | 119.3 Ų | 119.3 | 86% | 0.857 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -131.2 | -10.7 | -179.1 | -78.8 | -167.5 | 171.4 | -170.7 | 0 | 117.3 | ||
| 931 | A | 25.8 | Very low | 26.1 | Very low | 80 Ų | 80 | 122.1 Ų | 122.1 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -107 | 0.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | N933 | A931-N933 VanDerWaalsContact C-N 3.33Å; A931-N933 PolarHBondContact O-N 3.38Å |
| 932 | T | 26.6 | Very low | 26.5 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 53% | 0.528 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | 6 | -169.2 | 46.3 | 0 | 0 | 0 | 0 | 115.5 | L928 | L928-T932 HydrophobicContact CG-CG2 4.22Š|
| 933 | N | 27.7 | Very low | 27 | Very low | 93 Ų | 93 | 118.4 Ų | 118.4 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.5 | -12.5 | -168.5 | -69.2 | -4.2 | 0 | 0 | 0 | 115.7 | L172 A931 | L172-N933 WeakPolarHBondContact CD1-OD1 3.46Å; A931-N933 VanDerWaalsContact C-N 3.33Å; A931-N933 PolarHBondContact O-N 3.38Å |
| 934 | E | 25.7 | Very low | 27.5 | Very low | 192 Ų | 192 | 118 Ų | 118 | 90% | 0.897 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -125.6 | 4.3 | -172.1 | -62.3 | -165.5 | 135.4 | 0 | 0 | 115.1 | ||
| 935 | L | 23.7 | Very low | 28.4 | Very low | 155 Ų | 155 | 119.4 Ų | 119.4 | 81% | 0.812 | 66% | 0.66 | S | S | * | * | trans | -130.2 | 40.5 | 179 | -101.2 | 164 | 0 | 0 | 0 | 112.7 | V937 | L935-V937 PolarHBondContact O-N 2.85Š| ||
| 936 | S | 25 | Very low | 29.1 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | trans | -78.5 | 80.2 | 174.5 | 62 | 0 | 0 | 0 | 0 | 111.6 | T938 | S936-T938 PolarHBondContact O-N 3.3Š| ||
| 937 | V | 23.7 | Very low | 30.7 | Very low | 129 Ų | 129 | 109 Ų | 109 | 78% | 0.782 | 62% | 0.618 | S | S | * | * | trans | -62.3 | 101.9 | 161.4 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | L935 L939 | L935-V937 PolarHBondContact O-N 2.85Å; V937-L939 PolarHBondContact O-N 3.13Å | ||
| 938 | T | 25 | Very low | 32.4 | Very low | 121 Ų | 121 | 104.7 Ų | 104.7 | 74% | 0.742 | 59% | 0.594 | S | S | * | * | trans | -73.9 | 88.4 | -177.7 | 37.3 | 0 | 0 | 0 | 0 | 110.6 | S936 P940 | S936-T938 PolarHBondContact O-N 3.3Å; T938-P940 WeakPolarHBondContact O-CD 3.49Å | ||
| 939 | L | 25.9 | Very low | 34.2 | Very low | 146 Ų | 146 | 107 Ų | 107 | 76% | 0.764 | 60% | 0.596 | S | S | * | * | trans | -44.7 | 123.2 | 156.2 | -88.7 | 163.8 | 0 | 0 | 0 | 108.8 | V937 K941 | V937-L939 PolarHBondContact O-N 3.13Å; L939-K941 PolarHBondContact O-N 3.31Å | ||
| 940 | P | 25.8 | Very low | 35.9 | Very low | 77 Ų | 77 | 105 Ų | 105 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | trans | -52.8 | 131.7 | -177.9 | -30.7 | 36.2 | 0 | 0 | 0 | 111.7 | T938 I942 | T938-P940 WeakPolarHBondContact O-CD 3.49Å; P940-I942 PolarHBondContact O-N 3.48Å | ||
| 941 | K | 29.5 | Very low | 38.2 | Very low | 172 Ų | 172 | 96.1 Ų | 96.1 | 75% | 0.748 | 54% | 0.542 | S | S | * | . | trans | -74.2 | 79.9 | 175.2 | -75.5 | -173.6 | -180 | 178.5 | 0 | 109.2 | N165 L939 P943 | N165-K941 PolarHBondContact OD1-NZ 2.85Å; L939-K941 PolarHBondContact O-N 3.31Å; K941-P943 WeakPolarHBondContact O-CD 3.36Å; K941-P943 VanDerWaalsContact O-N 3.09Å | ||
| 942 | I | 33.7 | Very low | 40.5 | Very low | 85 Ų | 85 | 92.5 Ų | 92.5 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | trans | -39.6 | 116 | 179.4 | -57.7 | 177.8 | 0 | 0 | 0 | 109.7 | P940 A944 | P940-I942 PolarHBondContact O-N 3.48Å; I942-A944 PolarHBondContact O-N 2.69Å | ||
| 943 | P | 31.7 | Very low | 42.8 | Very low | 94 Ų | 94 | 90 Ų | 90 | 61% | 0.61 | 50% | 0.495 | S | S | * | . | trans | -55.1 | 134.6 | -173.2 | -30.7 | 36.9 | 0 | 0 | 0 | 113.5 | K941 | K941-P943 WeakPolarHBondContact O-CD 3.36Å; K941-P943 VanDerWaalsContact O-N 3.09Å | ||
| 944 | A | 35.8 | Very low | 45.3 | Very low | 70 Ų | 70 | 87.7 Ų | 87.7 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -77.8 | 134.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I942 A946 | I942-A944 PolarHBondContact O-N 2.69Å; A944-A946 PolarHBondContact O-N 2.97Å |
| 945 | D | 44.5 | Very low | 48 | Very low | 70 Ų | 70 | 78.6 Ų | 78.6 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 74 | -12.9 | 165.7 | -78.2 | -26.6 | 0 | 0 | 0 | 121.1 | R875 | R875-D945 IonicContact CZ-OD1 2.88Å; R875-D945 IonicContact NH1-OD1 2.75Å; R875-D945 PolarHBondContact NH1-OD1 2.97Å; R875-D945 IonicContact NH2-OD1 2.99Å; R875-D945 PolarHBondContact NH2-OD1 3.14Å |
| 946 | A | 41.8 | Very low | 50.6 | Low | 55 Ų | 55 | 71.2 Ų | 71.2 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -81.3 | -101.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A944 F948 R949 | A944-A946 PolarHBondContact O-N 2.97Å; A946-F948 PolarHBondContact O-N 3.43Å; A946-R949 VanDerWaalsContact O-CB 3.26Å; A946-R949 WeakPolarHBondContact O-CB 3.4Å; A946-R949 PolarHBondContact O-N 3.4Å |
| 947 | N | 60.6 | Low | 52.9 | Low | 44 Ų | 44 | 68.5 Ų | 68.5 | 24% | 0.235 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -38 | -163.8 | -43.6 | 11.5 | 0 | 0 | 0 | 114.3 | D822 R949 D950 R951 | D822-N947 VanDerWaalsContact CG-CB 3.48Å; D822-N947 WeakPolarHBondContact OD2-CB 3.32Å; D822-N947 PolarHBondContact OD2-ND2 3.12Å; N947-R949 PolarHBondContact O-N 2.94Å; N947-R949 VanDerWaalsContact O-N 3.16Å; N947-D950 CarbonylContact O-C 3.55Å; N947-D950 WeakPolarHBondContact O-CA 3.33Å; N947-D950 PolarHBondContact O-N 2.84Å; N947-R951 PolarHBondContact O-N 2.93Å |
| 948 | F | 64.6 | Low | 55.4 | Low | 26 Ų | 26 | 62.4 Ų | 62.4 | 11% | 0.114 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -53.9 | -34 | 176.8 | -169.4 | -94.2 | 0 | 0 | 0 | 114.6 | F864 W872 R875 A946 D950 C952 | F864-F948 HydrophobicContact CE2-CE2 4.2Å; F864-F948 HydrophobicContact CZ-CD2 4.39Å; F864-F948 HydrophobicContact CZ-CE2 4.19Å; W872-F948 HydrophobicContact CB-CZ 4.35Å; W872-F948 AromaticContact CD1-CZ 3.39Å; W872-F948 AromaticContact CD2-CE1 3.75Å; W872-F948 HydrophobicContact CD2-CE1 3.75Å; W872-F948 AromaticContact CD2-CZ 3.47Å; W872-F948 HydrophobicContact CD2-CZ 3.47Å; W872-F948 VanDerWaalsContact CD2-CZ 3.47Å; W872-F948 AromaticContact CE2-CE1 3.38Å; W872-F948 AromaticContact CE2-CZ 3.41Å; W872-F948 VanDerWaalsContact CE2-CZ 3.41Å; W872-F948 HydrophobicContact CE3-CE1 4.21Å; W872-F948 HydrophobicContact CE3-CZ 4.19Å; W872-F948 HydrophobicContact CG-CE1 4.29Å; W872-F948 HydrophobicContact CG-CE2 4.45Å; W872-F948 AromaticContact CG-CZ 3.53Å; W872-F948 HydrophobicContact CG-CZ 3.53Å; W872-F948 HydrophobicContact CH2-CE1 4.12Å; W872-F948 AromaticContact CZ2-CE1 3.62Å; W872-F948 HydrophobicContact CZ2-CE1 3.62Å; W872-F948 HydrophobicContact CZ2-CZ 4.15Å; W872-F948 HydrophobicContact CZ3-CE1 4.38Å; W872-F948 AromaticContact NE1-CE1 3.6Å; W872-F948 AromaticContact NE1-CZ 3.26Å; W872-F948 VanDerWaalsContact NE1-CZ 3.26Å; R875-F948 VanDerWaalsContact NE-CE1 3.26Å; A946-F948 PolarHBondContact O-N 3.43Å; F948-D950 PolarHBondContact O-N 3.36Å; F948-C952 WeakPolarHBondContact O-CB 3.19Å; F948-C952 PolarHBondContact O-N 3.02Å; F948-C952 VanDerWaalsContact O-N 3.09Å; F948-C952 PolarHBondContact O-SG 3Å |
| 949 | R | 63.3 | Low | 57.8 | Low | 141 Ų | 141 | 56.9 Ų | 56.9 | 53% | 0.532 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | 173.7 | -178.8 | -167.8 | -178.7 | 105.8 | 9.1 | 110.9 | A946 N947 C952 N953 | A946-R949 VanDerWaalsContact O-CB 3.26Å; A946-R949 WeakPolarHBondContact O-CB 3.4Å; A946-R949 PolarHBondContact O-N 3.4Å; N947-R949 PolarHBondContact O-N 2.94Å; N947-R949 VanDerWaalsContact O-N 3.16Å; R949-C952 CarbonylContact O-C 3.55Å; R949-C952 VanDerWaalsContact O-CB 3.32Å; R949-C952 WeakPolarHBondContact O-CB 3.3Å; R949-C952 PolarHBondContact O-N 3.22Å; R949-N953 PolarHBondContact O-N 3.15Å; R949-N953 PolarHBondContact O-ND2 3.47Å |
| 950 | D | 65.4 | Low | 59.9 | Low | 79 Ų | 79 | 50.1 Ų | 50.1 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -94.1 | -29.7 | -171 | -68.6 | -72.8 | 0 | 0 | 0 | 112 | N947 F948 C952 N953 L954 | N947-D950 CarbonylContact O-C 3.55Å; N947-D950 WeakPolarHBondContact O-CA 3.33Å; N947-D950 PolarHBondContact O-N 2.84Å; F948-D950 PolarHBondContact O-N 3.36Å; D950-C952 PolarHBondContact O-N 3.25Å; D950-N953 PolarHBondContact O-N 3.23Å; D950-N953 VanDerWaalsContact O-N 3.17Å; D950-N953 PolarHBondContact OD1-ND2 3.49Å; D950-L954 VanDerWaalsContact O-CB 3.3Å; D950-L954 WeakPolarHBondContact O-CB 3.41Å; D950-L954 PolarHBondContact O-N 3.14Å |
| 951 | R | 75.7 | Confident | 61.9 | Low | 11 Ų | 11 | 49.5 Ų | 49.5 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -50 | -46.6 | 152.4 | -63.9 | -163.5 | -157.1 | -170 | 11.6 | 111.1 | D819 P820 D822 F825 F864 N947 L954 A955 | D819-R951 PolarHBondContact O-NH1 3.45Å; P820-R951 VanDerWaalsContact O-CZ 3.26Å; P820-R951 PolarHBondContact O-NH1 2.99Å; P820-R951 PolarHBondContact O-NH2 2.93Å; D822-R951 WeakPolarHBondContact OD1-CD 3.41Å; D822-R951 WeakPolarHBondContact OD1-CG 3.48Å; D822-R951 IonicContact OD1-CZ 3.75Å; D822-R951 IonicContact OD1-NE 2.96Å; D822-R951 PolarHBondContact OD1-NE 3.35Å; D822-R951 IonicContact OD1-NH2 3.18Å; D822-R951 IonicContact OD2-CZ 2.76Å; D822-R951 IonicContact OD2-NE 2.82Å; D822-R951 PolarHBondContact OD2-NE 3Å; D822-R951 IonicContact OD2-NH2 3.72Å; D822-R951 PolarHBondContact OD2-NH2 3.48Å; F825-R951 HydrophobicContact CD1-CB 3.86Å; F825-R951 HydrophobicContact CD1-CG 3.64Å; F825-R951 HydrophobicContact CE1-CB 3.49Å; F825-R951 VanDerWaalsContact CE1-CB 3.49Å; F825-R951 HydrophobicContact CE1-CG 3.85Å; F825-R951 HydrophobicContact CG-CG 4.28Å; F825-R951 HydrophobicContact CZ-CB 4.06Å; F864-R951 HydrophobicContact CE1-CB 3.73Å; F864-R951 HydrophobicContact CZ-CB 3.68Å; N947-R951 PolarHBondContact O-N 2.93Å; R951-L954 PolarHBondContact O-N 3.11Å; R951-A955 WeakPolarHBondContact O-CB 3.49Å; R951-A955 PolarHBondContact O-N 2.99Å |
| 952 | C | 75.5 | Confident | 63.7 | Low | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 177.8 | -71.1 | 0 | 0 | 0 | 0 | 111.9 | F864 F948 R949 D950 L956 F994 | F864-C952 HydrophobicContact CE1-CB 4.32Å; F864-C952 WeakPolarHBondContact CE1-SG 3.15Å; F948-C952 WeakPolarHBondContact O-CB 3.19Å; F948-C952 PolarHBondContact O-N 3.02Å; F948-C952 VanDerWaalsContact O-N 3.09Å; F948-C952 PolarHBondContact O-SG 3Å; R949-C952 CarbonylContact O-C 3.55Å; R949-C952 VanDerWaalsContact O-CB 3.32Å; R949-C952 WeakPolarHBondContact O-CB 3.3Å; R949-C952 PolarHBondContact O-N 3.22Å; D950-C952 PolarHBondContact O-N 3.25Å; C952-L956 WeakPolarHBondContact O-CB 3.49Å; C952-L956 PolarHBondContact O-N 2.99Å; C952-F994 HydrophobicContact CB-CE1 3.79Å; C952-F994 HydrophobicContact CB-CE2 4.36Å; C952-F994 HydrophobicContact CB-CZ 3.54Å; C952-F994 WeakPolarHBondContact O-CE1 3.3Å |
| 953 | N | 73.8 | Confident | 65.1 | Low | 32 Ų | 32 | 38.6 Ų | 38.6 | 17% | 0.171 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.6 | -75.8 | -42.9 | 0 | 0 | 0 | 111.9 | R949 D950 L956 A957 F994 | R949-N953 PolarHBondContact O-N 3.15Å; R949-N953 PolarHBondContact O-ND2 3.47Å; D950-N953 PolarHBondContact O-N 3.23Å; D950-N953 VanDerWaalsContact O-N 3.17Å; D950-N953 PolarHBondContact OD1-ND2 3.49Å; N953-L956 PolarHBondContact O-N 3.11Å; N953-A957 VanDerWaalsContact O-CB 3.29Å; N953-A957 WeakPolarHBondContact O-CB 3.08Å; N953-A957 PolarHBondContact O-N 3.22Å; N953-F994 WeakPolarHBondContact OD1-CZ 3.31Å |
| 954 | L | 79.9 | Confident | 66.2 | Low | 46 Ų | 46 | 37.4 Ų | 37.4 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.8 | -42.3 | -179.2 | -171.6 | 64.3 | 0 | 0 | 0 | 111.9 | T826 L829 D950 R951 A957 T958 | T826-L954 HydrophobicContact CG2-CD2 3.94Å; L829-L954 HydrophobicContact CB-CD2 4.33Å; L829-L954 HydrophobicContact CD1-CB 4.18Å; L829-L954 HydrophobicContact CD1-CD2 3.84Å; L829-L954 HydrophobicContact CD1-CG 3.75Å; D950-L954 VanDerWaalsContact O-CB 3.3Å; D950-L954 WeakPolarHBondContact O-CB 3.41Å; D950-L954 PolarHBondContact O-N 3.14Å; R951-L954 PolarHBondContact O-N 3.11Å; L954-A957 PolarHBondContact O-N 3.13Å; L954-T958 WeakPolarHBondContact O-CB 3.37Å; L954-T958 PolarHBondContact O-N 2.67Å; L954-T958 PolarHBondContact O-OG1 3.32Å |
| 955 | A | 83 | Confident | 66.8 | Low | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F825 L829 L861 F864 V865 R951 T958 L959 | F825-A955 HydrophobicContact CZ-CB 4.37Å; L829-A955 HydrophobicContact CD1-CB 4.27Å; L861-A955 HydrophobicContact CD2-CB 4.14Å; F864-A955 HydrophobicContact CD1-CB 4.26Å; V865-A955 HydrophobicContact CG2-CB 3.47Å; V865-A955 VanDerWaalsContact CG2-CB 3.47Å; R951-A955 WeakPolarHBondContact O-CB 3.49Å; R951-A955 PolarHBondContact O-N 2.99Å; A955-T958 PolarHBondContact O-N 3.35Å; A955-L959 WeakPolarHBondContact O-CG 3.37Å; A955-L959 PolarHBondContact O-N 2.9Å |
| 956 | L | 78.9 | Confident | 66.7 | Low | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 172.9 | 170.3 | 64.6 | 0 | 0 | 0 | 111.6 | V865 C952 N953 T958 L959 I960 F994 V995 | V865-L956 HydrophobicContact CG1-CB 4.18Å; V865-L956 HydrophobicContact CG2-CB 4.5Å; C952-L956 WeakPolarHBondContact O-CB 3.49Å; C952-L956 PolarHBondContact O-N 2.99Å; N953-L956 PolarHBondContact O-N 3.11Å; L956-T958 VanDerWaalsContact C-N 3.3Å; L956-T958 PolarHBondContact O-N 3.44Å; L956-L959 PolarHBondContact O-N 3.1Å; L956-I960 HydrophobicContact CD1-CD1 3.77Å; L956-I960 HydrophobicContact CD1-CG1 4.04Å; L956-I960 HydrophobicContact CD2-CD1 4.27Å; L956-I960 HydrophobicContact CG-CD1 3.73Å; L956-I960 HydrophobicContact CG-CG1 4.4Å; L956-I960 WeakPolarHBondContact O-CG1 3.31Å; L956-I960 PolarHBondContact O-N 3.44Å; L956-F994 HydrophobicContact CB-CD1 4.05Å; L956-F994 HydrophobicContact CB-CE1 3.8Å; L956-F994 HydrophobicContact CD2-CD1 3.49Å; L956-F994 VanDerWaalsContact CD2-CD1 3.49Å; L956-F994 HydrophobicContact CD2-CE1 3.63Å; L956-F994 HydrophobicContact CD2-CG 4.42Å; L956-F994 HydrophobicContact CG-CD1 4.21Å; L956-F994 HydrophobicContact CG-CE1 4.29Å; L956-V995 HydrophobicContact CD1-CB 4.18Å; L956-V995 HydrophobicContact CD1-CG2 3.48Å; L956-V995 VanDerWaalsContact CD1-CG2 3.48Å |
| 957 | A | 72.1 | Confident | 66.7 | Low | 35 Ų | 35 | 41.6 Ų | 41.6 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | N953 L954 L959 I960 E961 | N953-A957 VanDerWaalsContact O-CB 3.29Å; N953-A957 WeakPolarHBondContact O-CB 3.08Å; N953-A957 PolarHBondContact O-N 3.22Å; L954-A957 PolarHBondContact O-N 3.13Å; A957-L959 PolarHBondContact O-N 3.5Å; A957-I960 PolarHBondContact O-N 2.78Å; A957-I960 VanDerWaalsContact O-N 3.1Å; A957-E961 WeakPolarHBondContact O-CG 3.28Å; A957-E961 PolarHBondContact O-N 3.39Å |
| 958 | T | 77.7 | Confident | 65.5 | Low | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | L829 F832 R833 L861 L954 A955 L956 E961 L962 | L829-T958 HydrophobicContact CD2-CG2 4.24Å; F832-T958 HydrophobicContact CD1-CG2 4.17Å; F832-T958 HydrophobicContact CE1-CG2 4.27Å; R833-T958 HydrophobicContact CG-CG2 3.98Å; L861-T958 HydrophobicContact CD1-CG2 4.3Å; L954-T958 WeakPolarHBondContact O-CB 3.37Å; L954-T958 PolarHBondContact O-N 2.67Å; L954-T958 PolarHBondContact O-OG1 3.32Å; A955-T958 PolarHBondContact O-N 3.35Å; L956-T958 VanDerWaalsContact C-N 3.3Å; L956-T958 PolarHBondContact O-N 3.44Å; T958-E961 PolarHBondContact O-N 3.23Å; T958-L962 HydrophobicContact CG2-CD1 4.18Å; T958-L962 WeakPolarHBondContact O-CB 3.3Å; T958-L962 WeakPolarHBondContact O-CG 3.5Å; T958-L962 PolarHBondContact O-N 3.31Å; T958-L962 VanDerWaalsContact O-N 3.1Å |
| 959 | L | 75.5 | Confident | 64 | Low | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.6 | -34.6 | 174 | -70.4 | 169 | 0 | 0 | 0 | 113 | L858 L861 L862 V865 A955 L956 A957 A963 I972 M991 | L858-L959 HydrophobicContact CD2-CD2 3.78Å; L861-L959 HydrophobicContact CB-CD1 4.47Å; L861-L959 HydrophobicContact CB-CD2 4.4Å; L861-L959 HydrophobicContact CB-CG 4.5Å; L862-L959 HydrophobicContact CD2-CD1 3.92Å; L862-L959 HydrophobicContact CD2-CD2 4.21Å; L862-L959 HydrophobicContact CG-CD1 4.45Å; L862-L959 HydrophobicContact CG-CD2 4.26Å; V865-L959 HydrophobicContact CB-CD1 4.41Å; V865-L959 HydrophobicContact CG2-CD1 4.14Å; A955-L959 WeakPolarHBondContact O-CG 3.37Å; A955-L959 PolarHBondContact O-N 2.9Å; L956-L959 PolarHBondContact O-N 3.1Å; A957-L959 PolarHBondContact O-N 3.5Å; L959-A963 WeakPolarHBondContact O-CB 3.27Å; L959-A963 PolarHBondContact O-N 3.17Å; L959-I972 HydrophobicContact CD2-CD1 4.44Å; L959-M991 HydrophobicContact CD1-CE 4.06Å |
| 960 | I | 69.7 | Low | 62.8 | Low | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.3 | -45.5 | 175.7 | -71.1 | 165.6 | 0 | 0 | 0 | 111 | L956 A957 A963 K964 H1005 R1009 V1012 | L956-I960 HydrophobicContact CD1-CD1 3.77Å; L956-I960 HydrophobicContact CD1-CG1 4.04Å; L956-I960 HydrophobicContact CD2-CD1 4.27Å; L956-I960 HydrophobicContact CG-CD1 3.73Å; L956-I960 HydrophobicContact CG-CG1 4.4Å; L956-I960 WeakPolarHBondContact O-CG1 3.31Å; L956-I960 PolarHBondContact O-N 3.44Å; A957-I960 PolarHBondContact O-N 2.78Å; A957-I960 VanDerWaalsContact O-N 3.1Å; I960-A963 WeakPolarHBondContact O-CB 3.44Å; I960-A963 PolarHBondContact O-N 3.18Å; I960-A963 VanDerWaalsContact O-N 3.09Å; I960-K964 PolarHBondContact O-N 3.44Å; I960-H1005 HydrophobicContact CG2-CB 4.45Å; I960-R1009 HydrophobicContact CD1-CG 3.64Å; I960-R1009 HydrophobicContact CG1-CG 4.11Å; I960-R1009 HydrophobicContact CG2-CG 4.38Å; I960-V1012 HydrophobicContact CG1-CG2 4.43Å |
| 961 | E | 67 | Low | 61.9 | Low | 65 Ų | 65 | 35.2 Ų | 35.2 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 177.8 | -68.7 | -45.1 | 127.9 | 0 | 0 | 111.6 | A957 T958 A963 K964 H1005 | A957-E961 WeakPolarHBondContact O-CG 3.28Å; A957-E961 PolarHBondContact O-N 3.39Å; T958-E961 PolarHBondContact O-N 3.23Å; E961-A963 PolarHBondContact O-N 3.02Å; E961-A963 VanDerWaalsContact O-N 3.16Å; E961-K964 WeakPolarHBondContact O-CB 3.34Å; E961-K964 PolarHBondContact O-N 3.44Å; E961-K964 VanDerWaalsContact OE1-CE 3.31Å; E961-K964 WeakPolarHBondContact OE1-CE 3.45Å; E961-K964 IonicContact OE1-NZ 3.24Å; E961-K964 PolarHBondContact OE1-NZ 2.85Å; E961-K964 WeakPolarHBondContact OE2-CD 3.26Å; E961-K964 WeakPolarHBondContact OE2-CE 3.33Å; E961-K964 IonicContact OE2-NZ 2.91Å; E961-K964 PolarHBondContact OE2-NZ 3Å; E961-H1005 IonicContact OE1-CE1 2.73Å; E961-H1005 IonicContact OE1-NE2 2.72Å |
| 962 | L | 67.6 | Low | 60.6 | Low | 22 Ų | 22 | 35 Ų | 35 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -20.5 | 176.2 | -77.1 | 169.2 | 0 | 0 | 0 | 113.1 | F832 L836 L858 T958 G968 I972 | F832-L962 HydrophobicContact CE1-CD1 4.06Å; F832-L962 HydrophobicContact CZ-CD1 4.46Å; L836-L962 HydrophobicContact CD1-CD1 4Å; L836-L962 HydrophobicContact CD1-CD2 3.83Å; L836-L962 HydrophobicContact CD1-CG 4.27Å; L836-L962 HydrophobicContact CD2-CD2 4.05Å; L836-L962 HydrophobicContact CG-CD2 4.5Å; L858-L962 HydrophobicContact CD2-CD1 3.96Å; T958-L962 HydrophobicContact CG2-CD1 4.18Å; T958-L962 WeakPolarHBondContact O-CB 3.3Å; T958-L962 WeakPolarHBondContact O-CG 3.5Å; T958-L962 PolarHBondContact O-N 3.31Å; T958-L962 VanDerWaalsContact O-N 3.1Å; L962-G968 CarbonylContact O-C 2.97Å; L962-G968 VanDerWaalsContact O-CA 3.31Å; L962-G968 WeakPolarHBondContact O-CA 3.36Å; L962-I972 HydrophobicContact CB-CD1 3.32Å; L962-I972 HydrophobicContact CB-CG1 3.99Å; L962-I972 HydrophobicContact CD1-CD1 4.5Å |
| 963 | A | 62.4 | Low | 58.9 | Low | 6 Ų | 6 | 36.4 Ų | 36.4 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -86.3 | -13.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L959 I960 E961 T1011 V1012 | L959-A963 WeakPolarHBondContact O-CB 3.27Å; L959-A963 PolarHBondContact O-N 3.17Å; I960-A963 WeakPolarHBondContact O-CB 3.44Å; I960-A963 PolarHBondContact O-N 3.18Å; I960-A963 VanDerWaalsContact O-N 3.09Å; E961-A963 PolarHBondContact O-N 3.02Å; E961-A963 VanDerWaalsContact O-N 3.16Å; A963-T1011 HydrophobicContact CB-CG2 4.25Å; A963-V1012 HydrophobicContact CB-CG2 3.6Å |
| 964 | K | 55.9 | Low | 57.6 | Low | 68 Ų | 68 | 42.7 Ų | 42.7 | 30% | 0.296 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -80.7 | -42.9 | 177.6 | -65.9 | 178 | -171.3 | 165.6 | 0 | 113.8 | I960 E961 H1005 | I960-K964 PolarHBondContact O-N 3.44Å; E961-K964 WeakPolarHBondContact O-CB 3.34Å; E961-K964 PolarHBondContact O-N 3.44Å; E961-K964 VanDerWaalsContact OE1-CE 3.31Å; E961-K964 WeakPolarHBondContact OE1-CE 3.45Å; E961-K964 IonicContact OE1-NZ 3.24Å; E961-K964 PolarHBondContact OE1-NZ 2.85Å; E961-K964 WeakPolarHBondContact OE2-CD 3.26Å; E961-K964 WeakPolarHBondContact OE2-CE 3.33Å; E961-K964 IonicContact OE2-NZ 2.91Å; E961-K964 PolarHBondContact OE2-NZ 3Å; K964-H1005 WeakPolarHBondContact CE-CD2 3.27Å; K964-H1005 PolarHBondContact NZ-CD2 3.26Å; K964-H1005 PolarHBondContact NZ-NE2 3.02Å |
| 965 | G | 48.8 | Very low | 56.2 | Low | 26 Ų | 26 | 42.1 Ų | 42.1 | 27% | 0.268 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -79.1 | 145.1 | -161 | 0 | 0 | 0 | 0 | 0 | 114.7 | S967 G968 A969 | G965-S967 PolarHBondContact O-N 3.01Å; G965-G968 PolarHBondContact O-N 2.9Å; G965-A969 WeakPolarHBondContact O-CB 3.39Å; G965-A969 PolarHBondContact O-N 3.44Å |
| 966 | Q | 41.4 | Very low | 54.6 | Low | 192 Ų | 192 | 42.8 Ų | 42.8 | 90% | 0.897 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.7 | 175.5 | -74 | -178.6 | -21.8 | 0 | 0 | 113.5 | ||
| 967 | S | 42 | Very low | 52.9 | Low | 65 Ų | 65 | 48 Ų | 48 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -27.2 | 171.5 | 48.9 | 0 | 0 | 0 | 0 | 114 | G965 | G965-S967 PolarHBondContact O-N 3.01Š|
| 968 | G | 35.7 | Very low | 51.8 | Low | 9 Ų | 9 | 49.6 Ų | 49.6 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.7 | -28.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L962 G965 L970 A971 I972 | L962-G968 CarbonylContact O-C 2.97Å; L962-G968 VanDerWaalsContact O-CA 3.31Å; L962-G968 WeakPolarHBondContact O-CA 3.36Å; G965-G968 PolarHBondContact O-N 2.9Å; G968-L970 PolarHBondContact O-N 2.85Å; G968-A971 PolarHBondContact O-N 3.38Å; G968-A971 VanDerWaalsContact O-N 3.1Å; G968-I972 PolarHBondContact O-N 3.34Å |
| 969 | A | 33.3 | Very low | 50.4 | Low | 49 Ų | 49 | 49.5 Ų | 49.5 | 41% | 0.405 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.6 | -31.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | G965 G973 | G965-A969 WeakPolarHBondContact O-CB 3.39Å; G965-A969 PolarHBondContact O-N 3.44Å; A969-G973 WeakPolarHBondContact O-CA 3.24Å; A969-G973 PolarHBondContact O-N 3.23Å |
| 970 | L | 38.5 | Very low | 49.1 | Very low | 84 Ų | 84 | 49.7 Ų | 49.7 | 44% | 0.44 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72 | -47.5 | 173.9 | -87.4 | 157.9 | 0 | 0 | 0 | 112.6 | G968 G973 R974 | G968-L970 PolarHBondContact O-N 2.85Å; L970-G973 PolarHBondContact O-N 3.33Å; L970-R974 PolarHBondContact O-N 2.86Å; L970-R974 VanDerWaalsContact O-N 3.08Å |
| 971 | A | 46 | Very low | 48.3 | Very low | 14 Ų | 14 | 59.4 Ų | 59.4 | 12% | 0.116 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.4 | -59 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G968 G973 E975 | G968-A971 PolarHBondContact O-N 3.38Å; G968-A971 VanDerWaalsContact O-N 3.1Å; A971-G973 PolarHBondContact O-N 3.2Å; A971-E975 WeakPolarHBondContact O-CB 3.38Å; A971-E975 PolarHBondContact O-N 3.17Å |
| 972 | I | 48.4 | Very low | 47.6 | Very low | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.6 | -13.9 | 175.1 | -67.3 | -162.9 | 0 | 0 | 0 | 111.1 | L858 L959 L962 G968 V976 K1015 | L858-I972 HydrophobicContact CD1-CG1 3.98Å; L858-I972 HydrophobicContact CD2-CD1 4.09Å; L858-I972 HydrophobicContact CD2-CG1 4.08Å; L959-I972 HydrophobicContact CD2-CD1 4.44Å; L962-I972 HydrophobicContact CB-CD1 3.32Å; L962-I972 HydrophobicContact CB-CG1 3.99Å; L962-I972 HydrophobicContact CD1-CD1 4.5Å; G968-I972 PolarHBondContact O-N 3.34Å; I972-V976 HydrophobicContact CB-CG2 4.37Å; I972-V976 HydrophobicContact CG2-CG2 3.65Å; I972-V976 WeakPolarHBondContact O-CB 3.49Å; I972-V976 VanDerWaalsContact O-CG2 3.28Å; I972-V976 WeakPolarHBondContact O-CG2 3.22Å; I972-K1015 HydrophobicContact CG2-CD 3.8Å; I972-K1015 PolarHBondContact O-NZ 3.4Å; I972-K1015 VanDerWaalsContact O-NZ 3.1Å |
| 973 | G | 39.6 | Very low | 46.8 | Very low | 33 Ų | 33 | 56.7 Ų | 56.7 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.7 | -49.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A969 L970 A971 | A969-G973 WeakPolarHBondContact O-CA 3.24Å; A969-G973 PolarHBondContact O-N 3.23Å; L970-G973 PolarHBondContact O-N 3.33Å; A971-G973 PolarHBondContact O-N 3.2Å |
| 974 | R | 47 | Very low | 46.2 | Very low | 165 Ų | 165 | 57.6 Ų | 57.6 | 62% | 0.623 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -79.6 | -43.8 | -177.6 | -69.7 | 174.4 | 169.7 | 168.9 | -6.1 | 112.4 | L970 | L970-R974 PolarHBondContact O-N 2.86Å; L970-R974 VanDerWaalsContact O-N 3.08Å |
| 975 | E | 50.9 | Low | 45.9 | Very low | 34 Ų | 34 | 57 Ų | 57 | 16% | 0.159 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.8 | -33.6 | -174.6 | -82.6 | -72 | 152.7 | 0 | 0 | 114.2 | G855 L858 R859 A971 H977 S978 A979 | G855-E975 VanDerWaalsContact CA-OE1 3.28Å; G855-E975 WeakPolarHBondContact CA-OE1 3.32Å; L858-E975 HydrophobicContact CD1-CB 4.07Å; L858-E975 HydrophobicContact CD1-CG 4.21Å; R859-E975 IonicContact CZ-OE2 2.81Å; R859-E975 IonicContact NH1-OE1 3.16Å; R859-E975 PolarHBondContact NH1-OE1 2.89Å; R859-E975 IonicContact NH1-OE2 3.81Å; R859-E975 PolarHBondContact NH1-OE2 3.35Å; A971-E975 WeakPolarHBondContact O-CB 3.38Å; A971-E975 PolarHBondContact O-N 3.17Å; E975-H977 PolarHBondContact O-N 2.87Å; E975-S978 CarbonylContact O-C 3.2Å; E975-S978 WeakPolarHBondContact O-CA 3.32Å; E975-S978 VanDerWaalsContact O-CB 3.29Å; E975-S978 WeakPolarHBondContact O-CB 3.39Å; E975-S978 PolarHBondContact O-N 3.34Å; E975-S978 VanDerWaalsContact O-N 3.08Å; E975-A979 PolarHBondContact O-N 2.99Å |
| 976 | V | 48.1 | Very low | 45.9 | Very low | 14 Ų | 14 | 59.5 Ų | 59.5 | 9% | 0.085 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.1 | -18.7 | -169.8 | 179.9 | 0 | 0 | 0 | 0 | 113.6 | L862 I972 A979 K1015 M1019 | L862-V976 HydrophobicContact CD1-CG2 4.43Å; I972-V976 HydrophobicContact CB-CG2 4.37Å; I972-V976 HydrophobicContact CG2-CG2 3.65Å; I972-V976 WeakPolarHBondContact O-CB 3.49Å; I972-V976 VanDerWaalsContact O-CG2 3.28Å; I972-V976 WeakPolarHBondContact O-CG2 3.22Å; V976-A979 PolarHBondContact O-N 3.35Å; V976-K1015 HydrophobicContact CG1-CB 3.93Å; V976-M1019 HydrophobicContact CG1-CG 3.82Å; V976-M1019 HydrophobicContact CG1-SD 3.36Å; V976-M1019 WeakPolarHBondContact CG1-SD 3.11Å; V976-M1019 VanDerWaalsContact O-CG 3.25Å; V976-M1019 WeakPolarHBondContact O-CG 3.43Å |
| 977 | H | 44.6 | Very low | 46.4 | Very low | 110 Ų | 110 | 50.5 Ų | 50.5 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 164.3 | -105.6 | -37 | 0 | 0 | 0 | 111.3 | E975 A979 S980 T1022 | E975-H977 PolarHBondContact O-N 2.87Å; H977-A979 VanDerWaalsContact C-N 3.32Å; H977-A979 PolarHBondContact O-N 3.41Å; H977-S980 VanDerWaalsContact O-CB 3.31Å; H977-S980 WeakPolarHBondContact O-CB 3.44Å; H977-S980 PolarHBondContact O-N 2.96Å; H977-S980 PolarHBondContact O-OG 3.3Å; H977-T1022 PolarHBondContact CE1-OG1 3.22Å |
| 978 | S | 48.8 | Very low | 47.2 | Very low | 68 Ų | 68 | 47.6 Ų | 47.6 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.8 | -33 | 173.9 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | E975 S980 R981 | E975-S978 CarbonylContact O-C 3.2Å; E975-S978 WeakPolarHBondContact O-CA 3.32Å; E975-S978 VanDerWaalsContact O-CB 3.29Å; E975-S978 WeakPolarHBondContact O-CB 3.39Å; E975-S978 PolarHBondContact O-N 3.34Å; E975-S978 VanDerWaalsContact O-N 3.08Å; S978-S980 PolarHBondContact O-N 2.89Å; S978-R981 PolarHBondContact O-N 3.31Å |
| 979 | A | 48.2 | Very low | 48.1 | Very low | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L862 E975 V976 H977 R981 C982 M1019 | L862-A979 HydrophobicContact CD1-CB 3.66Å; E975-A979 PolarHBondContact O-N 2.99Å; V976-A979 PolarHBondContact O-N 3.35Å; H977-A979 VanDerWaalsContact C-N 3.32Å; H977-A979 PolarHBondContact O-N 3.41Å; A979-R981 PolarHBondContact O-N 3.25Å; A979-R981 VanDerWaalsContact O-N 3.12Å; A979-C982 WeakPolarHBondContact O-CB 3.43Å; A979-C982 PolarHBondContact O-N 3.18Å; A979-M1019 VanDerWaalsContact C-CE 3.47Å; A979-M1019 HydrophobicContact CB-CE 4Å; A979-M1019 HydrophobicContact CB-SD 4.14Å; A979-M1019 WeakPolarHBondContact O-CE 3.38Å |
| 980 | S | 47.5 | Very low | 49.4 | Very low | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -30.4 | 168.6 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | H977 S978 R1023 | H977-S980 VanDerWaalsContact O-CB 3.31Å; H977-S980 WeakPolarHBondContact O-CB 3.44Å; H977-S980 PolarHBondContact O-N 2.96Å; H977-S980 PolarHBondContact O-OG 3.3Å; S978-S980 PolarHBondContact O-N 2.89Å; S980-R1023 WeakPolarHBondContact O-CD 3.42Å; S980-R1023 PolarHBondContact O-NH1 3.12Å |
| 981 | R | 52.2 | Low | 50.4 | Low | 208 Ų | 208 | 47.8 Ų | 47.8 | 79% | 0.785 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -32.9 | 173.5 | -63.1 | -174.6 | -179.6 | -168.9 | -0.5 | 113.2 | S978 A979 L983 R1023 | S978-R981 PolarHBondContact O-N 3.31Å; A979-R981 PolarHBondContact O-N 3.25Å; A979-R981 VanDerWaalsContact O-N 3.12Å; R981-L983 PolarHBondContact O-N 3.27Å; R981-R1023 PolarHBondContact O-NH1 3.18Å; R981-R1023 VanDerWaalsContact O-NH1 3.11Å |
| 982 | C | 52.8 | Low | 51.2 | Low | 29 Ų | 29 | 48.4 Ų | 48.4 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -13.8 | -168.5 | -56.3 | 0 | 0 | 0 | 0 | 115.8 | R863 A979 | R863-C982 HydrophobicContact CG-CB 4.46Å; R863-C982 WeakPolarHBondContact CG-O 3.28Å; A979-C982 WeakPolarHBondContact O-CB 3.43Å; A979-C982 PolarHBondContact O-N 3.18Å |
| 983 | L | 51.4 | Low | 51.7 | Low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -131.1 | 118.7 | -175.1 | -82 | 163.2 | 0 | 0 | 0 | 111.1 | L862 R981 I988 M991 M1019 R1023 | L862-L983 HydrophobicContact CB-CD1 4.06Å; L862-L983 HydrophobicContact CD2-CD1 4.23Å; R981-L983 PolarHBondContact O-N 3.27Å; L983-I988 HydrophobicContact CB-CG1 3.87Å; L983-M991 HydrophobicContact CD1-SD 3.46Å; L983-M991 WeakPolarHBondContact CD1-SD 3.48Å; L983-M991 HydrophobicContact CD2-SD 4.34Å; L983-M1019 HydrophobicContact CB-CE 4.09Å; L983-M1019 HydrophobicContact CD1-CE 3.8Å; L983-R1023 WeakPolarHBondContact O-CD 3.38Å; L983-R1023 VanDerWaalsContact O-CZ 3.31Å; L983-R1023 PolarHBondContact O-NH1 3Å |
| 984 | P | 50.1 | Low | 52.6 | Low | 26 Ų | 26 | 53.2 Ų | 53.2 | 17% | 0.169 | 26% | 0.257 | C | S | . | . | trans | -64.2 | 163.9 | 171.6 | 30.8 | -35.2 | 0 | 0 | 0 | 110.1 | Q868 S986 G987 I988 | Q868-P984 HydrophobicContact CG-CG 3.94Å; P984-S986 PolarHBondContact O-N 3.45Å; P984-G987 WeakPolarHBondContact O-CA 3.47Å; P984-G987 PolarHBondContact O-N 2.81Å; P984-I988 PolarHBondContact O-N 3.27Å | ||
| 985 | V | 48 | Very low | 53.3 | Low | 55 Ų | 55 | 45.4 Ų | 45.4 | 33% | 0.333 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.3 | -35.5 | -177.4 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | I988 Q989 L1027 | V985-I988 PolarHBondContact O-N 3.37Å; V985-Q989 PolarHBondContact O-N 3.45Å; V985-L1027 HydrophobicContact CG2-CD1 4Å |
| 986 | S | 48.9 | Very low | 53.7 | Low | 78 Ų | 78 | 46 Ų | 46 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 169.8 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | P984 Q989 H990 | P984-S986 PolarHBondContact O-N 3.45Å; S986-Q989 WeakPolarHBondContact O-CB 3.49Å; S986-Q989 PolarHBondContact O-N 3.36Å; S986-H990 PolarHBondContact O-N 2.7Å |
| 987 | G | 52.3 | Low | 53.9 | Low | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G866 P984 H990 M991 | G866-G987 WeakPolarHBondContact O-CA 3.47Å; P984-G987 WeakPolarHBondContact O-CA 3.47Å; P984-G987 PolarHBondContact O-N 2.81Å; G987-H990 PolarHBondContact O-N 3.47Å; G987-M991 WeakPolarHBondContact O-CG 3.34Å; G987-M991 PolarHBondContact O-N 2.85Å |
| 988 | I | 59.8 | Low | 54.3 | Low | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 171.3 | -58.7 | 174.4 | 0 | 0 | 0 | 110.3 | L983 P984 V985 H990 M991 V992 L1016 M1019 H1020 | L983-I988 HydrophobicContact CB-CG1 3.87Å; P984-I988 PolarHBondContact O-N 3.27Å; V985-I988 PolarHBondContact O-N 3.37Å; I988-H990 VanDerWaalsContact C-N 3.34Å; I988-H990 PolarHBondContact O-N 3.26Å; I988-M991 PolarHBondContact O-N 3.05Å; I988-V992 HydrophobicContact CG2-CG2 4.36Å; I988-V992 WeakPolarHBondContact O-CG2 3.32Å; I988-V992 PolarHBondContact O-N 2.96Å; I988-L1016 HydrophobicContact CG2-CB 4.26Å; I988-L1016 HydrophobicContact CG2-CD2 4.28Å; I988-M1019 HydrophobicContact CD1-CB 4.24Å; I988-M1019 HydrophobicContact CD1-CE 4.32Å; I988-M1019 HydrophobicContact CG1-CE 4.42Å; I988-H1020 HydrophobicContact CG2-CB 4.25Å |
| 989 | Q | 54.5 | Low | 54 | Low | 73 Ų | 73 | 44.3 Ų | 44.3 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.4 | -175.1 | -171.1 | -1 | 0 | 0 | 112.1 | V985 S986 R993 H1101 | V985-Q989 PolarHBondContact O-N 3.45Å; S986-Q989 WeakPolarHBondContact O-CB 3.49Å; S986-Q989 PolarHBondContact O-N 3.36Å; Q989-R993 VanDerWaalsContact NE2-NH1 3.13Å; Q989-R993 WeakPolarHBondContact O-CG 3.21Å; Q989-R993 PolarHBondContact O-N 3.03Å; Q989-R993 VanDerWaalsContact O-N 3.12Å; Q989-H1101 PolarHBondContact NE2-CD2 3.2Å; Q989-H1101 PolarHBondContact NE2-NE2 2.7Å |
| 990 | H | 59.1 | Low | 53.7 | Low | 73 Ų | 73 | 50.4 Ų | 50.4 | 34% | 0.338 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64 | -50.5 | 172.7 | -166.4 | 100.3 | 0 | 0 | 0 | 110.8 | W872 S986 G987 I988 V992 R993 F994 | W872-H990 AromaticContact CH2-CE1 3.91Å; W872-H990 AromaticContact CH2-NE2 3.85Å; S986-H990 PolarHBondContact O-N 2.7Å; G987-H990 PolarHBondContact O-N 3.47Å; I988-H990 VanDerWaalsContact C-N 3.34Å; I988-H990 PolarHBondContact O-N 3.26Å; H990-V992 PolarHBondContact O-N 3.15Å; H990-R993 WeakPolarHBondContact O-CB 3.5Å; H990-R993 PolarHBondContact O-N 3.19Å; H990-F994 WeakPolarHBondContact O-CB 3.36Å; H990-F994 PolarHBondContact O-N 3.24Å |
| 991 | M | 60.9 | Low | 53.3 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -45.7 | 176.6 | -77.2 | -156.6 | 75.2 | 0 | 0 | 112.8 | L862 V865 L959 L983 G987 I988 R993 F994 V995 L1016 | L862-M991 HydrophobicContact CD2-CE 3.66Å; L862-M991 HydrophobicContact CD2-SD 3.75Å; V865-M991 HydrophobicContact CB-CE 4.17Å; V865-M991 HydrophobicContact CG1-CE 3.85Å; V865-M991 HydrophobicContact CG1-CG 4.32Å; L959-M991 HydrophobicContact CD1-CE 4.06Å; L983-M991 HydrophobicContact CD1-SD 3.46Å; L983-M991 WeakPolarHBondContact CD1-SD 3.48Å; L983-M991 HydrophobicContact CD2-SD 4.34Å; G987-M991 WeakPolarHBondContact O-CG 3.34Å; G987-M991 PolarHBondContact O-N 2.85Å; I988-M991 PolarHBondContact O-N 3.05Å; M991-R993 VanDerWaalsContact C-N 3.34Å; M991-R993 PolarHBondContact O-N 3.03Å; M991-F994 PolarHBondContact O-N 3.41Å; M991-F994 VanDerWaalsContact O-N 3.1Å; M991-V995 WeakPolarHBondContact O-CB 3.18Å; M991-V995 WeakPolarHBondContact O-CG2 3.17Å; M991-V995 PolarHBondContact O-N 3.3Å; M991-L1016 HydrophobicContact CB-CD1 3.81Å; M991-L1016 HydrophobicContact CB-CD2 4.23Å; M991-L1016 HydrophobicContact CE-CD1 4.36Å; M991-L1016 HydrophobicContact CE-CD2 4.47Å; M991-L1016 HydrophobicContact SD-CD2 3.88Å |
| 992 | V | 62.5 | Low | 53 | Low | 28 Ų | 28 | 50.4 Ų | 50.4 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 179 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | I988 H990 L996 L1016 | I988-V992 HydrophobicContact CG2-CG2 4.36Å; I988-V992 WeakPolarHBondContact O-CG2 3.32Å; I988-V992 PolarHBondContact O-N 2.96Å; H990-V992 PolarHBondContact O-N 3.15Å; V992-L996 HydrophobicContact CG1-CD1 4.03Å; V992-L996 WeakPolarHBondContact O-CB 3.45Å; V992-L996 WeakPolarHBondContact O-CD1 3.26Å; V992-L996 WeakPolarHBondContact O-CG 3.3Å; V992-L996 PolarHBondContact O-N 2.81Å; V992-L1016 HydrophobicContact CG2-CB 3.94Å; V992-L1016 HydrophobicContact CG2-CD1 3.94Å |
| 993 | R | 57.9 | Low | 52.5 | Low | 116 Ų | 116 | 52.8 Ų | 52.8 | 44% | 0.438 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 169 | -79.2 | -178.6 | 170.4 | 118.9 | -3.2 | 111.4 | Q989 H990 M991 L996 S997 H1101 | Q989-R993 VanDerWaalsContact NE2-NH1 3.13Å; Q989-R993 WeakPolarHBondContact O-CG 3.21Å; Q989-R993 PolarHBondContact O-N 3.03Å; Q989-R993 VanDerWaalsContact O-N 3.12Å; H990-R993 WeakPolarHBondContact O-CB 3.5Å; H990-R993 PolarHBondContact O-N 3.19Å; M991-R993 VanDerWaalsContact C-N 3.34Å; M991-R993 PolarHBondContact O-N 3.03Å; R993-L996 PolarHBondContact O-N 3.36Å; R993-S997 VanDerWaalsContact O-CB 3.28Å; R993-S997 WeakPolarHBondContact O-CB 3.45Å; R993-S997 PolarHBondContact O-N 2.9Å; R993-S997 PolarHBondContact O-OG 3.46Å; R993-H1101 PolarHBondContact NH2-CE1 2.73Å; R993-H1101 PolarHBondContact NH2-NE2 3.47Å |
| 994 | F | 60.3 | Low | 52.2 | Low | 25 Ų | 25 | 53.6 Ų | 53.6 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.3 | -46.5 | -171.7 | -162.5 | -107.7 | 0 | 0 | 0 | 112.5 | V865 C952 N953 L956 H990 M991 L996 S997 S998 | V865-F994 HydrophobicContact CG1-CD1 3.75Å; V865-F994 HydrophobicContact CG1-CE1 4.29Å; C952-F994 HydrophobicContact CB-CE1 3.79Å; C952-F994 HydrophobicContact CB-CE2 4.36Å; C952-F994 HydrophobicContact CB-CZ 3.54Å; C952-F994 WeakPolarHBondContact O-CE1 3.3Å; N953-F994 WeakPolarHBondContact OD1-CZ 3.31Å; L956-F994 HydrophobicContact CB-CD1 4.05Å; L956-F994 HydrophobicContact CB-CE1 3.8Å; L956-F994 HydrophobicContact CD2-CD1 3.49Å; L956-F994 VanDerWaalsContact CD2-CD1 3.49Å; L956-F994 HydrophobicContact CD2-CE1 3.63Å; L956-F994 HydrophobicContact CD2-CG 4.42Å; L956-F994 HydrophobicContact CG-CD1 4.21Å; L956-F994 HydrophobicContact CG-CE1 4.29Å; H990-F994 WeakPolarHBondContact O-CB 3.36Å; H990-F994 PolarHBondContact O-N 3.24Å; M991-F994 PolarHBondContact O-N 3.41Å; M991-F994 VanDerWaalsContact O-N 3.1Å; F994-L996 PolarHBondContact O-N 2.85Å; F994-L996 VanDerWaalsContact O-N 3.14Å; F994-S997 WeakPolarHBondContact CA-OG 3.45Å; F994-S997 PolarHBondContact O-N 3.47Å; F994-S997 PolarHBondContact O-OG 2.95Å; F994-S998 PolarHBondContact O-N 2.84Å |
| 995 | V | 61 | Low | 52.3 | Low | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.3 | -34 | 173.3 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | L956 M991 R1009 V1012 V1013 L1016 | L956-V995 HydrophobicContact CD1-CB 4.18Å; L956-V995 HydrophobicContact CD1-CG2 3.48Å; L956-V995 VanDerWaalsContact CD1-CG2 3.48Å; M991-V995 WeakPolarHBondContact O-CB 3.18Å; M991-V995 WeakPolarHBondContact O-CG2 3.17Å; M991-V995 PolarHBondContact O-N 3.3Å; V995-R1009 HydrophobicContact CG1-CB 3.97Å; V995-R1009 HydrophobicContact CG1-CG 4.04Å; V995-R1009 WeakPolarHBondContact O-CD 3.41Å; V995-R1009 PolarHBondContact O-NH1 3.2Å; V995-V1012 HydrophobicContact CG1-CB 4.5Å; V995-V1012 HydrophobicContact CG1-CG1 4.32Å; V995-V1012 HydrophobicContact CG2-CG1 3.75Å; V995-V1013 HydrophobicContact CB-CG2 4.33Å; V995-V1013 HydrophobicContact CG1-CG2 3.8Å; V995-L1016 HydrophobicContact CG2-CD1 4.19Å |
| 996 | L | 58.6 | Low | 52.6 | Low | 46 Ų | 46 | 55.2 Ų | 55.2 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -97.8 | -15 | -175.4 | -62.5 | 175.2 | 0 | 0 | 0 | 114 | V992 R993 F994 V1013 T1105 F1108 | V992-L996 HydrophobicContact CG1-CD1 4.03Å; V992-L996 WeakPolarHBondContact O-CB 3.45Å; V992-L996 WeakPolarHBondContact O-CD1 3.26Å; V992-L996 WeakPolarHBondContact O-CG 3.3Å; V992-L996 PolarHBondContact O-N 2.81Å; R993-L996 PolarHBondContact O-N 3.36Å; F994-L996 PolarHBondContact O-N 2.85Å; F994-L996 VanDerWaalsContact O-N 3.14Å; L996-V1013 HydrophobicContact CD1-CG2 4.08Å; L996-V1013 HydrophobicContact CD2-CG2 4.05Å; L996-V1013 HydrophobicContact CG-CG2 4.05Å; L996-T1105 HydrophobicContact CD1-CG2 3.28Å; L996-F1108 WeakPolarHBondContact O-CE1 3.28Å |
| 997 | S | 53.1 | Low | 52.8 | Low | 51 Ų | 51 | 55.6 Ų | 55.6 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -100.3 | -14.1 | 176.2 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | R993 F994 A999 | R993-S997 VanDerWaalsContact O-CB 3.28Å; R993-S997 WeakPolarHBondContact O-CB 3.45Å; R993-S997 PolarHBondContact O-N 2.9Å; R993-S997 PolarHBondContact O-OG 3.46Å; F994-S997 WeakPolarHBondContact CA-OG 3.45Å; F994-S997 PolarHBondContact O-N 3.47Å; F994-S997 PolarHBondContact O-OG 2.95Å; S997-A999 PolarHBondContact O-N 3Å |
| 998 | S | 53 | Low | 53.1 | Low | 24 Ų | 24 | 55.5 Ų | 55.5 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | trans | -58.4 | 124.6 | 174.2 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | F994 R1009 | F994-S998 PolarHBondContact O-N 2.84Å; S998-R1009 VanDerWaalsContact O-CZ 3.32Å; S998-R1009 PolarHBondContact O-NH1 3.19Å; S998-R1009 PolarHBondContact O-NH2 3.41Å | ||
| 999 | A | 41.9 | Very low | 53 | Low | 82 Ų | 82 | 56 Ų | 56 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -86.8 | -26.2 | -153.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | S997 F1001 | S997-A999 PolarHBondContact O-N 3Å; A999-F1001 PolarHBondContact O-N 3.05Å |
| 1000 | K | 42.5 | Very low | 53.3 | Low | 129 Ų | 129 | 55.3 Ų | 55.3 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | trans | -70 | 98 | 177 | -68.1 | -170.4 | 178.8 | -175.7 | 0 | 108.9 | H1002 R1009 E1464 D1465 | K1000-H1002 PolarHBondContact O-N 3.23Å; K1000-R1009 PolarHBondContact O-NH2 2.93Å; K1000-E1464 IonicContact NZ-OE1 3.68Å; K1000-E1464 PolarHBondContact NZ-OE1 2.76Å; K1000-D1465 IonicContact NZ-OD2 3.7Å; K1000-D1465 PolarHBondContact NZ-OD2 3.28Å | ||
| 1001 | F | 39.3 | Very low | 53.4 | Low | 91 Ų | 91 | 53.8 Ų | 53.8 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | trans | -98.5 | 60 | -164.4 | -145.7 | -81.7 | 0 | 0 | 0 | 113.8 | A999 H1112 L1113 | A999-F1001 PolarHBondContact O-N 3.05Å; F1001-H1112 HydrophobicContact CD2-CB 4.01Å; F1001-H1112 HydrophobicContact CE2-CB 3.69Å; F1001-H1112 HydrophobicContact CZ-CB 4.15Å; F1001-L1113 HydrophobicContact CE1-CD2 4.43Å | ||
| 1002 | H | 44.8 | Very low | 53.5 | Low | 125 Ų | 125 | 54.3 Ų | 54.3 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | trans | -68.8 | 131.6 | 170.4 | -103.2 | -86.9 | 0 | 0 | 0 | 111.3 | K1000 T1004 H1005 | K1000-H1002 PolarHBondContact O-N 3.23Å; H1002-T1004 HydrophobicContact CB-CG2 4.33Å; H1002-T1004 PolarHBondContact O-N 3.01Å; H1002-T1004 VanDerWaalsContact O-N 3.08Å; H1002-H1005 WeakPolarHBondContact O-CB 3.18Å; H1002-H1005 PolarHBondContact O-N 3.33Å | ||
| 1003 | A | 43.5 | Very low | 53.6 | Low | 80 Ų | 80 | 53.7 Ų | 53.7 | 66% | 0.661 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -55.4 | -28.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1005 L1006 | A1003-H1005 PolarHBondContact O-N 2.8Å; A1003-L1006 WeakPolarHBondContact O-CB 3.45Å; A1003-L1006 PolarHBondContact O-N 3.08Å; A1003-L1006 VanDerWaalsContact O-N 3.12Å |
| 1004 | T | 43.9 | Very low | 53.7 | Low | 17 Ų | 17 | 49.4 Ų | 49.4 | 10% | 0.104 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -64.1 | -25.1 | 177.3 | 80.1 | 0 | 0 | 0 | 0 | 112.9 | S346 H1002 | S346-T1004 VanDerWaalsContact CB-CG2 3.42Å; S346-T1004 VanDerWaalsContact OG-CG2 3.32Å; S346-T1004 WeakPolarHBondContact OG-CG2 3.5Å; H1002-T1004 HydrophobicContact CB-CG2 4.33Å; H1002-T1004 PolarHBondContact O-N 3.01Å; H1002-T1004 VanDerWaalsContact O-N 3.08Å |
| 1005 | H | 53.4 | Low | 53.8 | Low | 47 Ų | 47 | 50 Ų | 50 | 22% | 0.218 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -88.2 | -9.2 | 179.1 | -66 | -167.9 | 0 | 0 | 0 | 111.7 | I960 E961 K964 H1002 A1003 I1007 G1008 R1009 | I960-H1005 HydrophobicContact CG2-CB 4.45Å; E961-H1005 IonicContact OE1-CE1 2.73Å; E961-H1005 IonicContact OE1-NE2 2.72Å; K964-H1005 WeakPolarHBondContact CE-CD2 3.27Å; K964-H1005 PolarHBondContact NZ-CD2 3.26Å; K964-H1005 PolarHBondContact NZ-NE2 3.02Å; H1002-H1005 WeakPolarHBondContact O-CB 3.18Å; H1002-H1005 PolarHBondContact O-N 3.33Å; A1003-H1005 PolarHBondContact O-N 2.8Å; H1005-I1007 PolarHBondContact O-N 3.24Å; H1005-G1008 PolarHBondContact O-N 2.68Å; H1005-R1009 WeakPolarHBondContact O-CB 3.21Å; H1005-R1009 WeakPolarHBondContact O-CG 3.31Å; H1005-R1009 PolarHBondContact O-N 3Å |
| 1006 | L | 53 | Low | 53.8 | Low | 68 Ų | 68 | 50.1 Ų | 50.1 | 36% | 0.356 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | -177.7 | -173.8 | 61.4 | 0 | 0 | 0 | 112.1 | A1003 L1010 | A1003-L1006 WeakPolarHBondContact O-CB 3.45Å; A1003-L1006 PolarHBondContact O-N 3.08Å; A1003-L1006 VanDerWaalsContact O-N 3.12Å; L1006-L1010 HydrophobicContact CD1-CD1 3.87Å; L1006-L1010 HydrophobicContact CD1-CG 4.01Å; L1006-L1010 HydrophobicContact CG-CD1 3.79Å; L1006-L1010 HydrophobicContact CG-CG 4.32Å; L1006-L1010 VanDerWaalsContact O-CB 3.22Å; L1006-L1010 WeakPolarHBondContact O-CB 3.28Å; L1006-L1010 WeakPolarHBondContact O-CG 3.32Å; L1006-L1010 PolarHBondContact O-N 3.44Å |
| 1007 | I | 54.4 | Low | 53.9 | Low | 86 Ų | 86 | 50.1 Ų | 50.1 | 44% | 0.441 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 177.7 | -60.8 | 178.2 | 0 | 0 | 0 | 110.8 | P347 H1005 T1011 | P347-I1007 HydrophobicContact CB-CD1 4.05Å; P347-I1007 HydrophobicContact CG-CD1 4.13Å; H1005-I1007 PolarHBondContact O-N 3.24Å; I1007-T1011 VanDerWaalsContact O-CB 3.25Å; I1007-T1011 WeakPolarHBondContact O-CB 3.22Å; I1007-T1011 PolarHBondContact O-N 3.31Å; I1007-T1011 PolarHBondContact O-OG1 2.92Å |
| 1008 | G | 57.3 | Low | 54.1 | Low | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1005 T1011 V1012 | H1005-G1008 PolarHBondContact O-N 2.68Å; G1008-T1011 PolarHBondContact O-N 2.73Å; G1008-V1012 WeakPolarHBondContact O-CG2 3.45Å; G1008-V1012 PolarHBondContact O-N 2.93Å |
| 1009 | R | 59.3 | Low | 54.4 | Low | 15 Ų | 15 | 50.3 Ų | 50.3 | 6% | 0.057 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.5 | -71.8 | -178.9 | -173.4 | -143.1 | 18.3 | 112.2 | I960 V995 S998 K1000 H1005 T1011 V1012 V1013 | I960-R1009 HydrophobicContact CD1-CG 3.64Å; I960-R1009 HydrophobicContact CG1-CG 4.11Å; I960-R1009 HydrophobicContact CG2-CG 4.38Å; V995-R1009 HydrophobicContact CG1-CB 3.97Å; V995-R1009 HydrophobicContact CG1-CG 4.04Å; V995-R1009 WeakPolarHBondContact O-CD 3.41Å; V995-R1009 PolarHBondContact O-NH1 3.2Å; S998-R1009 VanDerWaalsContact O-CZ 3.32Å; S998-R1009 PolarHBondContact O-NH1 3.19Å; S998-R1009 PolarHBondContact O-NH2 3.41Å; K1000-R1009 PolarHBondContact O-NH2 2.93Å; H1005-R1009 WeakPolarHBondContact O-CB 3.21Å; H1005-R1009 WeakPolarHBondContact O-CG 3.31Å; H1005-R1009 PolarHBondContact O-N 3Å; R1009-T1011 VanDerWaalsContact C-N 3.3Å; R1009-T1011 PolarHBondContact O-N 3.15Å; R1009-V1012 PolarHBondContact O-N 3.38Å; R1009-V1013 WeakPolarHBondContact O-CB 3.47Å; R1009-V1013 VanDerWaalsContact O-CG2 3.31Å; R1009-V1013 WeakPolarHBondContact O-CG2 3.2Å; R1009-V1013 PolarHBondContact O-N 3.47Å |
| 1010 | L | 60.6 | Low | 55.2 | Low | 59 Ų | 59 | 49.1 Ų | 49.1 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.3 | -31.8 | 175.7 | -71.6 | 173.7 | 0 | 0 | 0 | 112.2 | L1006 D1014 W1243 | L1006-L1010 HydrophobicContact CD1-CD1 3.87Å; L1006-L1010 HydrophobicContact CD1-CG 4.01Å; L1006-L1010 HydrophobicContact CG-CD1 3.79Å; L1006-L1010 HydrophobicContact CG-CG 4.32Å; L1006-L1010 VanDerWaalsContact O-CB 3.22Å; L1006-L1010 WeakPolarHBondContact O-CB 3.28Å; L1006-L1010 WeakPolarHBondContact O-CG 3.32Å; L1006-L1010 PolarHBondContact O-N 3.44Å; L1010-D1014 WeakPolarHBondContact O-CB 3.45Å; L1010-D1014 PolarHBondContact O-N 3.29Å; L1010-W1243 HydrophobicContact CD1-CH2 4.22Å |
| 1011 | T | 61.3 | Low | 55.8 | Low | 40 Ų | 40 | 46.7 Ų | 46.7 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.9 | -40.4 | 174.2 | -60 | 0 | 0 | 0 | 0 | 111.6 | A963 I1007 G1008 R1009 K1015 | A963-T1011 HydrophobicContact CB-CG2 4.25Å; I1007-T1011 VanDerWaalsContact O-CB 3.25Å; I1007-T1011 WeakPolarHBondContact O-CB 3.22Å; I1007-T1011 PolarHBondContact O-N 3.31Å; I1007-T1011 PolarHBondContact O-OG1 2.92Å; G1008-T1011 PolarHBondContact O-N 2.73Å; R1009-T1011 VanDerWaalsContact C-N 3.3Å; R1009-T1011 PolarHBondContact O-N 3.15Å; T1011-K1015 HydrophobicContact CG2-CD 4.24Å; T1011-K1015 VanDerWaalsContact O-CB 3.31Å; T1011-K1015 WeakPolarHBondContact O-CB 3.47Å; T1011-K1015 VanDerWaalsContact O-CG 3.25Å; T1011-K1015 WeakPolarHBondContact O-CG 3.44Å; T1011-K1015 PolarHBondContact O-N 3.07Å |
| 1012 | V | 62.6 | Low | 56.6 | Low | 11 Ų | 11 | 44.1 Ų | 44.1 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 171.6 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | I960 A963 V995 G1008 R1009 K1015 L1016 | I960-V1012 HydrophobicContact CG1-CG2 4.43Å; A963-V1012 HydrophobicContact CB-CG2 3.6Å; V995-V1012 HydrophobicContact CG1-CB 4.5Å; V995-V1012 HydrophobicContact CG1-CG1 4.32Å; V995-V1012 HydrophobicContact CG2-CG1 3.75Å; G1008-V1012 WeakPolarHBondContact O-CG2 3.45Å; G1008-V1012 PolarHBondContact O-N 2.93Å; R1009-V1012 PolarHBondContact O-N 3.38Å; V1012-K1015 PolarHBondContact O-N 3.38Å; V1012-L1016 HydrophobicContact CG1-CD1 3.75Å; V1012-L1016 HydrophobicContact CG1-CG 4.27Å; V1012-L1016 WeakPolarHBondContact O-CB 3.37Å; V1012-L1016 VanDerWaalsContact O-CG 3.25Å; V1012-L1016 WeakPolarHBondContact O-CG 3.37Å; V1012-L1016 PolarHBondContact O-N 2.89Å |
| 1013 | V | 63.2 | Low | 57 | Low | 16 Ų | 16 | 40.9 Ų | 40.9 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -43.1 | 177.7 | 169.6 | 0 | 0 | 0 | 0 | 112.2 | V995 L996 R1009 K1015 L1016 I1017 | V995-V1013 HydrophobicContact CB-CG2 4.33Å; V995-V1013 HydrophobicContact CG1-CG2 3.8Å; L996-V1013 HydrophobicContact CD1-CG2 4.08Å; L996-V1013 HydrophobicContact CD2-CG2 4.05Å; L996-V1013 HydrophobicContact CG-CG2 4.05Å; R1009-V1013 WeakPolarHBondContact O-CB 3.47Å; R1009-V1013 VanDerWaalsContact O-CG2 3.31Å; R1009-V1013 WeakPolarHBondContact O-CG2 3.2Å; R1009-V1013 PolarHBondContact O-N 3.47Å; V1013-K1015 VanDerWaalsContact C-N 3.32Å; V1013-K1015 PolarHBondContact O-N 2.93Å; V1013-L1016 PolarHBondContact O-N 3.06Å; V1013-I1017 HydrophobicContact CG1-CD1 3.64Å; V1013-I1017 HydrophobicContact CG1-CG1 4.29Å; V1013-I1017 WeakPolarHBondContact O-CB 3.08Å; V1013-I1017 WeakPolarHBondContact O-CG1 3.46Å; V1013-I1017 PolarHBondContact O-N 3.26Å |
| 1014 | D | 60.5 | Low | 57.2 | Low | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 174.1 | 175.1 | 94.4 | 0 | 0 | 0 | 111.3 | L1010 I1017 R1018 R1247 | L1010-D1014 WeakPolarHBondContact O-CB 3.45Å; L1010-D1014 PolarHBondContact O-N 3.29Å; D1014-I1017 PolarHBondContact O-N 2.75Å; D1014-R1018 WeakPolarHBondContact O-CB 3.46Å; D1014-R1018 VanDerWaalsContact O-CG 3.3Å; D1014-R1018 WeakPolarHBondContact O-CG 3.4Å; D1014-R1018 PolarHBondContact O-N 3.49Å; D1014-R1018 IonicContact OD1-CZ 3.91Å; D1014-R1018 IonicContact OD1-NE 2.71Å; D1014-R1018 IonicContact OD1-NH2 3.53Å; D1014-R1018 PolarHBondContact OD1-NH2 2.92Å; D1014-R1018 IonicContact OD2-CZ 3.1Å; D1014-R1018 IonicContact OD2-NE 3.27Å; D1014-R1018 PolarHBondContact OD2-NE 2.95Å; D1014-R1018 IonicContact OD2-NH2 2.67Å; D1014-R1018 PolarHBondContact OD2-NH2 2.67Å; D1014-R1247 IonicContact OD1-CZ 3.45Å; D1014-R1247 VanDerWaalsContact OD1-CZ 3.3Å; D1014-R1247 IonicContact OD1-NE 3.65Å; D1014-R1247 PolarHBondContact OD1-NE 2.82Å; D1014-R1247 IonicContact OD1-NH2 2.75Å; D1014-R1247 PolarHBondContact OD1-NH2 3.23Å; D1014-R1247 IonicContact OD2-CZ 3.73Å; D1014-R1247 IonicContact OD2-NE 3.58Å; D1014-R1247 IonicContact OD2-NH2 2.76Å; D1014-R1247 PolarHBondContact OD2-NH2 3.37Å |
| 1015 | K | 62 | Low | 57.5 | Low | 37 Ų | 37 | 45.7 Ų | 45.7 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.9 | -36.5 | 174.4 | -71.7 | 179.6 | -179.7 | -172.9 | 0 | 112.9 | I972 V976 T1011 V1012 V1013 R1018 M1019 | I972-K1015 HydrophobicContact CG2-CD 3.8Å; I972-K1015 PolarHBondContact O-NZ 3.4Å; I972-K1015 VanDerWaalsContact O-NZ 3.1Å; V976-K1015 HydrophobicContact CG1-CB 3.93Å; T1011-K1015 HydrophobicContact CG2-CD 4.24Å; T1011-K1015 VanDerWaalsContact O-CB 3.31Å; T1011-K1015 WeakPolarHBondContact O-CB 3.47Å; T1011-K1015 VanDerWaalsContact O-CG 3.25Å; T1011-K1015 WeakPolarHBondContact O-CG 3.44Å; T1011-K1015 PolarHBondContact O-N 3.07Å; V1012-K1015 PolarHBondContact O-N 3.38Å; V1013-K1015 VanDerWaalsContact C-N 3.32Å; V1013-K1015 PolarHBondContact O-N 2.93Å; K1015-R1018 PolarHBondContact O-N 3.41Å; K1015-M1019 WeakPolarHBondContact O-CB 3.3Å; K1015-M1019 WeakPolarHBondContact O-CG 3.44Å; K1015-M1019 PolarHBondContact O-N 3.3Å |
| 1016 | L | 62.4 | Low | 57 | Low | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.6 | -33.4 | 172.3 | -74.3 | 169.2 | 0 | 0 | 0 | 112.1 | I988 M991 V992 V995 V1012 V1013 M1019 H1020 | I988-L1016 HydrophobicContact CG2-CB 4.26Å; I988-L1016 HydrophobicContact CG2-CD2 4.28Å; M991-L1016 HydrophobicContact CB-CD1 3.81Å; M991-L1016 HydrophobicContact CB-CD2 4.23Å; M991-L1016 HydrophobicContact CE-CD1 4.36Å; M991-L1016 HydrophobicContact CE-CD2 4.47Å; M991-L1016 HydrophobicContact SD-CD2 3.88Å; V992-L1016 HydrophobicContact CG2-CB 3.94Å; V992-L1016 HydrophobicContact CG2-CD1 3.94Å; V995-L1016 HydrophobicContact CG2-CD1 4.19Å; V1012-L1016 HydrophobicContact CG1-CD1 3.75Å; V1012-L1016 HydrophobicContact CG1-CG 4.27Å; V1012-L1016 WeakPolarHBondContact O-CB 3.37Å; V1012-L1016 VanDerWaalsContact O-CG 3.25Å; V1012-L1016 WeakPolarHBondContact O-CG 3.37Å; V1012-L1016 PolarHBondContact O-N 2.89Å; V1013-L1016 PolarHBondContact O-N 3.06Å; L1016-M1019 HydrophobicContact CD2-SD 3.97Å; L1016-M1019 WeakPolarHBondContact O-CB 3.45Å; L1016-M1019 PolarHBondContact O-N 3.24Å; L1016-H1020 WeakPolarHBondContact O-CB 3.13Å; L1016-H1020 PolarHBondContact O-N 2.8Å |
| 1017 | I | 60.3 | Low | 56.5 | Low | 46 Ų | 46 | 45.8 Ų | 45.8 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71 | -41.4 | 172.8 | -71.6 | 168.7 | 0 | 0 | 0 | 110.1 | V1013 D1014 H1020 Q1021 L1251 | V1013-I1017 HydrophobicContact CG1-CD1 3.64Å; V1013-I1017 HydrophobicContact CG1-CG1 4.29Å; V1013-I1017 WeakPolarHBondContact O-CB 3.08Å; V1013-I1017 WeakPolarHBondContact O-CG1 3.46Å; V1013-I1017 PolarHBondContact O-N 3.26Å; D1014-I1017 PolarHBondContact O-N 2.75Å; I1017-H1020 CarbonylContact O-C 3.59Å; I1017-H1020 PolarHBondContact O-N 2.89Å; I1017-H1020 VanDerWaalsContact O-N 3.17Å; I1017-Q1021 HydrophobicContact CG2-CG 4.45Å; I1017-Q1021 WeakPolarHBondContact O-CB 3.41Å; I1017-Q1021 WeakPolarHBondContact O-CG 3.46Å; I1017-Q1021 PolarHBondContact O-N 2.83Å; I1017-L1251 HydrophobicContact CD1-CD2 3.98Å; I1017-L1251 HydrophobicContact CG2-CD2 4.45Å |
| 1018 | R | 57.5 | Low | 55.7 | Low | 78 Ų | 78 | 46.4 Ų | 46.4 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.2 | -41 | 169.4 | -72.2 | 173 | -157.7 | -74.2 | -22.3 | 111.6 | D1014 K1015 H1020 Q1021 T1022 | D1014-R1018 WeakPolarHBondContact O-CB 3.46Å; D1014-R1018 VanDerWaalsContact O-CG 3.3Å; D1014-R1018 WeakPolarHBondContact O-CG 3.4Å; D1014-R1018 PolarHBondContact O-N 3.49Å; D1014-R1018 IonicContact OD1-CZ 3.91Å; D1014-R1018 IonicContact OD1-NE 2.71Å; D1014-R1018 IonicContact OD1-NH2 3.53Å; D1014-R1018 PolarHBondContact OD1-NH2 2.92Å; D1014-R1018 IonicContact OD2-CZ 3.1Å; D1014-R1018 IonicContact OD2-NE 3.27Å; D1014-R1018 PolarHBondContact OD2-NE 2.95Å; D1014-R1018 IonicContact OD2-NH2 2.67Å; D1014-R1018 PolarHBondContact OD2-NH2 2.67Å; K1015-R1018 PolarHBondContact O-N 3.41Å; R1018-H1020 VanDerWaalsContact C-N 3.33Å; R1018-H1020 PolarHBondContact O-N 3.39Å; R1018-Q1021 PolarHBondContact O-N 2.72Å; R1018-T1022 VanDerWaalsContact O-CB 3.24Å; R1018-T1022 WeakPolarHBondContact O-CB 3.34Å; R1018-T1022 PolarHBondContact O-N 3.41Å; R1018-T1022 PolarHBondContact O-OG1 2.92Å |
| 1019 | M | 57.8 | Low | 55.1 | Low | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 171 | -77 | 176.3 | 61.5 | 0 | 0 | 112.1 | V976 A979 L983 I988 K1015 L1016 R1023 | V976-M1019 HydrophobicContact CG1-CG 3.82Å; V976-M1019 HydrophobicContact CG1-SD 3.36Å; V976-M1019 WeakPolarHBondContact CG1-SD 3.11Å; V976-M1019 VanDerWaalsContact O-CG 3.25Å; V976-M1019 WeakPolarHBondContact O-CG 3.43Å; A979-M1019 VanDerWaalsContact C-CE 3.47Å; A979-M1019 HydrophobicContact CB-CE 4Å; A979-M1019 HydrophobicContact CB-SD 4.14Å; A979-M1019 WeakPolarHBondContact O-CE 3.38Å; L983-M1019 HydrophobicContact CB-CE 4.09Å; L983-M1019 HydrophobicContact CD1-CE 3.8Å; I988-M1019 HydrophobicContact CD1-CB 4.24Å; I988-M1019 HydrophobicContact CD1-CE 4.32Å; I988-M1019 HydrophobicContact CG1-CE 4.42Å; K1015-M1019 WeakPolarHBondContact O-CB 3.3Å; K1015-M1019 WeakPolarHBondContact O-CG 3.44Å; K1015-M1019 PolarHBondContact O-N 3.3Å; L1016-M1019 HydrophobicContact CD2-SD 3.97Å; L1016-M1019 WeakPolarHBondContact O-CB 3.45Å; L1016-M1019 PolarHBondContact O-N 3.24Å; M1019-R1023 WeakPolarHBondContact O-CA 3.19Å; M1019-R1023 WeakPolarHBondContact O-CB 3.49Å; M1019-R1023 PolarHBondContact O-N 2.73Å |
| 1020 | H | 58.5 | Low | 54.2 | Low | 57 Ų | 57 | 54.5 Ų | 54.5 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.2 | -39.3 | 177.5 | -176.5 | 81.6 | 0 | 0 | 0 | 111.6 | I988 L1016 I1017 R1018 R1024 | I988-H1020 HydrophobicContact CG2-CB 4.25Å; L1016-H1020 WeakPolarHBondContact O-CB 3.13Å; L1016-H1020 PolarHBondContact O-N 2.8Å; I1017-H1020 CarbonylContact O-C 3.59Å; I1017-H1020 PolarHBondContact O-N 2.89Å; I1017-H1020 VanDerWaalsContact O-N 3.17Å; R1018-H1020 VanDerWaalsContact C-N 3.33Å; R1018-H1020 PolarHBondContact O-N 3.39Å; H1020-R1024 WeakPolarHBondContact NE2-CD 3.41Å; H1020-R1024 VanDerWaalsContact O-CB 3.22Å; H1020-R1024 WeakPolarHBondContact O-CB 3.35Å; H1020-R1024 VanDerWaalsContact O-CG 3.32Å; H1020-R1024 WeakPolarHBondContact O-CG 3.36Å; H1020-R1024 PolarHBondContact O-N 3.28Å |
| 1021 | Q | 56.3 | Low | 53 | Low | 77 Ų | 77 | 57.2 Ų | 57.2 | 36% | 0.36 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.1 | -53 | 173.4 | -74.2 | 171.3 | -18.4 | 0 | 0 | 110.4 | I1017 R1018 R1023 R1024 I1025 L1250 | I1017-Q1021 HydrophobicContact CG2-CG 4.45Å; I1017-Q1021 WeakPolarHBondContact O-CB 3.41Å; I1017-Q1021 WeakPolarHBondContact O-CG 3.46Å; I1017-Q1021 PolarHBondContact O-N 2.83Å; R1018-Q1021 PolarHBondContact O-N 2.72Å; Q1021-R1023 PolarHBondContact O-N 2.69Å; Q1021-R1024 PolarHBondContact O-N 2.91Å; Q1021-I1025 WeakPolarHBondContact O-CB 3.47Å; Q1021-I1025 VanDerWaalsContact O-CG1 3.23Å; Q1021-I1025 WeakPolarHBondContact O-CG1 3.46Å; Q1021-I1025 PolarHBondContact O-N 2.86Å; Q1021-L1250 PolarHBondContact NE2-O 2.65Å |
| 1022 | T | 55.6 | Low | 51.6 | Low | 37 Ų | 37 | 58.4 Ų | 58.4 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | H977 R1018 L1026 | H977-T1022 PolarHBondContact CE1-OG1 3.22Å; R1018-T1022 VanDerWaalsContact O-CB 3.24Å; R1018-T1022 WeakPolarHBondContact O-CB 3.34Å; R1018-T1022 PolarHBondContact O-N 3.41Å; R1018-T1022 PolarHBondContact O-OG1 2.92Å; T1022-L1026 HydrophobicContact CG2-CD1 3.93Å; T1022-L1026 HydrophobicContact CG2-CG 4.32Å; T1022-L1026 WeakPolarHBondContact O-CB 3.12Å; T1022-L1026 WeakPolarHBondContact O-CG 3.25Å; T1022-L1026 PolarHBondContact O-N 3.29Å |
| 1023 | R | 52.6 | Low | 50.2 | Low | 58 Ų | 58 | 63.4 Ų | 63.4 | 22% | 0.219 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.9 | -29.7 | 174.3 | -166.4 | 179.3 | 177.7 | 123.4 | -5.9 | 111.9 | S980 R981 L983 M1019 Q1021 L1027 | S980-R1023 WeakPolarHBondContact O-CD 3.42Å; S980-R1023 PolarHBondContact O-NH1 3.12Å; R981-R1023 PolarHBondContact O-NH1 3.18Å; R981-R1023 VanDerWaalsContact O-NH1 3.11Å; L983-R1023 WeakPolarHBondContact O-CD 3.38Å; L983-R1023 VanDerWaalsContact O-CZ 3.31Å; L983-R1023 PolarHBondContact O-NH1 3Å; M1019-R1023 WeakPolarHBondContact O-CA 3.19Å; M1019-R1023 WeakPolarHBondContact O-CB 3.49Å; M1019-R1023 PolarHBondContact O-N 2.73Å; Q1021-R1023 PolarHBondContact O-N 2.69Å; R1023-L1027 HydrophobicContact CG-CD1 3.99Å; R1023-L1027 HydrophobicContact CG-CG 4.26Å; R1023-L1027 WeakPolarHBondContact O-CB 3.46Å; R1023-L1027 WeakPolarHBondContact O-CD1 3.47Å; R1023-L1027 WeakPolarHBondContact O-CG 3.19Å; R1023-L1027 PolarHBondContact O-N 2.87Å |
| 1024 | R | 48.7 | Very low | 48.6 | Very low | 118 Ų | 118 | 70.9 Ų | 70.9 | 45% | 0.445 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 169.1 | -82.6 | -178.9 | 63.1 | 176.6 | 0.3 | 112 | H1020 Q1021 L1027 M1028 | H1020-R1024 WeakPolarHBondContact NE2-CD 3.41Å; H1020-R1024 VanDerWaalsContact O-CB 3.22Å; H1020-R1024 WeakPolarHBondContact O-CB 3.35Å; H1020-R1024 VanDerWaalsContact O-CG 3.32Å; H1020-R1024 WeakPolarHBondContact O-CG 3.36Å; H1020-R1024 PolarHBondContact O-N 3.28Å; Q1021-R1024 PolarHBondContact O-N 2.91Å; R1024-L1027 PolarHBondContact O-N 2.93Å; R1024-M1028 WeakPolarHBondContact O-CB 3.46Å; R1024-M1028 VanDerWaalsContact O-CG 3.25Å; R1024-M1028 WeakPolarHBondContact O-CG 3.35Å; R1024-M1028 PolarHBondContact O-N 2.64Å |
| 1025 | I | 50.6 | Low | 47.2 | Very low | 80 Ų | 80 | 76.2 Ų | 76.2 | 41% | 0.41 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.5 | -49.4 | 173.5 | -70.3 | 163.7 | 0 | 0 | 0 | 109.3 | Q1021 L1027 M1028 Q1029 | Q1021-I1025 WeakPolarHBondContact O-CB 3.47Å; Q1021-I1025 VanDerWaalsContact O-CG1 3.23Å; Q1021-I1025 WeakPolarHBondContact O-CG1 3.46Å; Q1021-I1025 PolarHBondContact O-N 2.86Å; I1025-L1027 VanDerWaalsContact C-N 3.34Å; I1025-L1027 PolarHBondContact O-N 2.79Å; I1025-M1028 CarbonylContact O-C 3.23Å; I1025-M1028 PolarHBondContact O-N 2.99Å; I1025-Q1029 HydrophobicContact CG2-CG 4.33Å; I1025-Q1029 VanDerWaalsContact O-CB 3.3Å; I1025-Q1029 WeakPolarHBondContact O-CB 3.39Å; I1025-Q1029 VanDerWaalsContact O-CG 3.24Å; I1025-Q1029 WeakPolarHBondContact O-CG 3.14Å; I1025-Q1029 PolarHBondContact O-N 2.87Å |
| 1026 | L | 43 | Very low | 45.6 | Very low | 58 Ų | 58 | 79.4 Ų | 79.4 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.8 | -33.6 | 174.8 | -75 | 171.6 | 0 | 0 | 0 | 112.8 | T1022 Q1029 Q1030 | T1022-L1026 HydrophobicContact CG2-CD1 3.93Å; T1022-L1026 HydrophobicContact CG2-CG 4.32Å; T1022-L1026 WeakPolarHBondContact O-CB 3.12Å; T1022-L1026 WeakPolarHBondContact O-CG 3.25Å; T1022-L1026 PolarHBondContact O-N 3.29Å; L1026-Q1029 PolarHBondContact O-N 3.13Å; L1026-Q1030 WeakPolarHBondContact O-CA 3.49Å; L1026-Q1030 WeakPolarHBondContact O-CB 3.28Å; L1026-Q1030 WeakPolarHBondContact O-CG 3.09Å; L1026-Q1030 PolarHBondContact O-N 2.82Å |
| 1027 | L | 41.4 | Very low | 44 | Very low | 59 Ų | 59 | 82.7 Ų | 82.7 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -74.7 | -31.1 | 173.8 | -75.1 | 168.6 | 0 | 0 | 0 | 112.3 | V985 R1023 R1024 I1025 Q1031 | V985-L1027 HydrophobicContact CG2-CD1 4Å; R1023-L1027 HydrophobicContact CG-CD1 3.99Å; R1023-L1027 HydrophobicContact CG-CG 4.26Å; R1023-L1027 WeakPolarHBondContact O-CB 3.46Å; R1023-L1027 WeakPolarHBondContact O-CD1 3.47Å; R1023-L1027 WeakPolarHBondContact O-CG 3.19Å; R1023-L1027 PolarHBondContact O-N 2.87Å; R1024-L1027 PolarHBondContact O-N 2.93Å; I1025-L1027 VanDerWaalsContact C-N 3.34Å; I1025-L1027 PolarHBondContact O-N 2.79Å; L1027-Q1031 VanDerWaalsContact O-CB 3.31Å; L1027-Q1031 WeakPolarHBondContact O-CB 3.41Å; L1027-Q1031 WeakPolarHBondContact O-CG 3.18Å; L1027-Q1031 PolarHBondContact O-N 3.07Å |
| 1028 | M | 38.9 | Very low | 42.5 | Very low | 99 Ų | 99 | 87.3 Ų | 87.3 | 49% | 0.488 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -77 | -22.2 | 171.2 | -71.5 | 175.1 | -175.8 | 0 | 0 | 112.9 | R1024 I1025 P1032 | R1024-M1028 WeakPolarHBondContact O-CB 3.46Å; R1024-M1028 VanDerWaalsContact O-CG 3.25Å; R1024-M1028 WeakPolarHBondContact O-CG 3.35Å; R1024-M1028 PolarHBondContact O-N 2.64Å; I1025-M1028 CarbonylContact O-C 3.23Å; I1025-M1028 PolarHBondContact O-N 2.99Å; M1028-P1032 WeakPolarHBondContact O-CD 3.27Å |
| 1029 | Q | 44 | Very low | 41.2 | Very low | 114 Ų | 114 | 90.1 Ų | 90.1 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -88.6 | -29.7 | 172.8 | -72.6 | 171.7 | -25.2 | 0 | 0 | 111.9 | I1025 L1026 P1032 | I1025-Q1029 HydrophobicContact CG2-CG 4.33Å; I1025-Q1029 VanDerWaalsContact O-CB 3.3Å; I1025-Q1029 WeakPolarHBondContact O-CB 3.39Å; I1025-Q1029 VanDerWaalsContact O-CG 3.24Å; I1025-Q1029 WeakPolarHBondContact O-CG 3.14Å; I1025-Q1029 PolarHBondContact O-N 2.87Å; L1026-Q1029 PolarHBondContact O-N 3.13Å; Q1029-P1032 WeakPolarHBondContact O-CD 3.34Å |
| 1030 | Q | 41 | Very low | 39.7 | Very low | 71 Ų | 71 | 97 Ų | 97 | 33% | 0.332 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -87.2 | -6.8 | 170.5 | -69.1 | 175.3 | -7.2 | 0 | 0 | 113.1 | L1026 Q1033 R1034 | L1026-Q1030 WeakPolarHBondContact O-CA 3.49Å; L1026-Q1030 WeakPolarHBondContact O-CB 3.28Å; L1026-Q1030 WeakPolarHBondContact O-CG 3.09Å; L1026-Q1030 PolarHBondContact O-N 2.82Å; Q1030-Q1033 PolarHBondContact O-N 2.98Å; Q1030-R1034 VanDerWaalsContact O-CB 3.23Å; Q1030-R1034 WeakPolarHBondContact O-CB 3.38Å; Q1030-R1034 VanDerWaalsContact O-CG 3.31Å; Q1030-R1034 WeakPolarHBondContact O-CG 3.14Å; Q1030-R1034 PolarHBondContact O-N 3.4Å |
| 1031 | Q | 35.8 | Very low | 38.4 | Very low | 115 Ų | 115 | 99.5 Ų | 99.5 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 167 | -95.3 | 169 | -33.6 | 0 | 0 | 110.5 | L1027 Q1035 | L1027-Q1031 VanDerWaalsContact O-CB 3.31Å; L1027-Q1031 WeakPolarHBondContact O-CB 3.41Å; L1027-Q1031 WeakPolarHBondContact O-CG 3.18Å; L1027-Q1031 PolarHBondContact O-N 3.07Å; Q1031-Q1035 WeakPolarHBondContact O-CG 3.35Å; Q1031-Q1035 PolarHBondContact O-OE1 2.78Å |
| 1032 | P | 31.4 | Very low | 37.2 | Very low | 66 Ų | 66 | 100.6 Ų | 100.6 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -51.9 | -57.4 | 160.7 | -28.6 | 34.4 | 0 | 0 | 0 | 113.2 | M1028 Q1029 R1034 Q1035 E1036 | M1028-P1032 WeakPolarHBondContact O-CD 3.27Å; Q1029-P1032 WeakPolarHBondContact O-CD 3.34Å; P1032-R1034 VanDerWaalsContact C-N 3.3Å; P1032-R1034 PolarHBondContact O-N 3.45Å; P1032-Q1035 WeakPolarHBondContact O-CA 3.32Å; P1032-Q1035 WeakPolarHBondContact O-CB 3.2Å; P1032-Q1035 PolarHBondContact O-N 2.86Å; P1032-E1036 PolarHBondContact O-N 2.68Å; P1032-E1036 VanDerWaalsContact O-N 3.08Å |
| 1033 | Q | 31.9 | Very low | 35.8 | Very low | 115 Ų | 115 | 105.3 Ų | 105.3 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69 | -22 | -170.8 | -54.2 | -140.6 | -80.9 | 0 | 0 | 115.2 | Q1030 Q1035 E1036 S1037 | Q1030-Q1033 PolarHBondContact O-N 2.98Å; Q1033-Q1035 VanDerWaalsContact C-N 3.32Å; Q1033-E1036 WeakPolarHBondContact CA-OE2 3.37Å; Q1033-E1036 WeakPolarHBondContact CG-OE2 3.28Å; Q1033-E1036 PolarHBondContact NE2-OE2 3.49Å; Q1033-E1036 PolarHBondContact O-N 2.62Å; Q1033-S1037 PolarHBondContact O-N 2.88Å; Q1033-S1037 PolarHBondContact O-OG 3.49Å |
| 1034 | R | 30.1 | Very low | 34.6 | Very low | 173 Ų | 173 | 109.7 Ų | 109.7 | 65% | 0.653 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.3 | -20.2 | 171.5 | -79 | -177 | 169.3 | -135.4 | -6.9 | 113 | Q1030 P1032 S1037 | Q1030-R1034 VanDerWaalsContact O-CB 3.23Å; Q1030-R1034 WeakPolarHBondContact O-CB 3.38Å; Q1030-R1034 VanDerWaalsContact O-CG 3.31Å; Q1030-R1034 WeakPolarHBondContact O-CG 3.14Å; Q1030-R1034 PolarHBondContact O-N 3.4Å; P1032-R1034 VanDerWaalsContact C-N 3.3Å; P1032-R1034 PolarHBondContact O-N 3.45Å; R1034-S1037 WeakPolarHBondContact CA-OG 3.38Å; R1034-S1037 PolarHBondContact O-OG 2.79Å |
| 1035 | Q | 31.3 | Very low | 33.5 | Very low | 137 Ų | 137 | 108.9 Ų | 108.9 | 64% | 0.64 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -81.1 | -37.8 | 169.2 | -63.4 | 177 | -74.2 | 0 | 0 | 110.1 | Q1031 P1032 Q1033 L1038 | Q1031-Q1035 WeakPolarHBondContact O-CG 3.35Å; Q1031-Q1035 PolarHBondContact O-OE1 2.78Å; P1032-Q1035 WeakPolarHBondContact O-CA 3.32Å; P1032-Q1035 WeakPolarHBondContact O-CB 3.2Å; P1032-Q1035 PolarHBondContact O-N 2.86Å; Q1033-Q1035 VanDerWaalsContact C-N 3.32Å; Q1035-L1038 PolarHBondContact O-N 3.32Å |
| 1036 | E | 28.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 112.1 Ų | 112.1 | 49% | 0.486 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.4 | -45.3 | 171 | -61.8 | 176.1 | 143.9 | 0 | 0 | 111.9 | P1032 Q1033 L1038 L1039 | P1032-E1036 PolarHBondContact O-N 2.68Å; P1032-E1036 VanDerWaalsContact O-N 3.08Å; Q1033-E1036 WeakPolarHBondContact CA-OE2 3.37Å; Q1033-E1036 WeakPolarHBondContact CG-OE2 3.28Å; Q1033-E1036 PolarHBondContact NE2-OE2 3.49Å; Q1033-E1036 PolarHBondContact O-N 2.62Å; E1036-L1038 PolarHBondContact O-N 3.37Å; E1036-L1038 VanDerWaalsContact O-N 3.11Å; E1036-L1039 PolarHBondContact O-N 2.64Å; E1036-L1039 VanDerWaalsContact O-N 3.15Å |
| 1037 | S | 28.7 | Very low | 31.5 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | -6.8 | -178.6 | 65.1 | 0 | 0 | 0 | 0 | 115.5 | Q1033 R1034 | Q1033-S1037 PolarHBondContact O-N 2.88Å; Q1033-S1037 PolarHBondContact O-OG 3.49Å; R1034-S1037 WeakPolarHBondContact CA-OG 3.38Å; R1034-S1037 PolarHBondContact O-OG 2.79Å |
| 1038 | L | 29.9 | Very low | 30.7 | Very low | 143 Ų | 143 | 120.3 Ų | 120.3 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 0.1 | 176.3 | -78.7 | 167.5 | 0 | 0 | 0 | 113 | Q1035 E1036 | Q1035-L1038 PolarHBondContact O-N 3.32Å; E1036-L1038 PolarHBondContact O-N 3.37Å; E1036-L1038 VanDerWaalsContact O-N 3.11Å |
| 1039 | L | 28.7 | Very low | 30.5 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -116 | 10.5 | 179.5 | -67.4 | 170.6 | 0 | 0 | 0 | 113 | E1036 | E1036-L1039 PolarHBondContact O-N 2.64Å; E1036-L1039 VanDerWaalsContact O-N 3.15Å |
| 1040 | L | 27.2 | Very low | 29.3 | Very low | 147 Ų | 147 | 122.2 Ų | 122.2 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -122.9 | 35.9 | -176.5 | -94.4 | 160.5 | 0 | 0 | 0 | 111.7 | ||
| 1041 | S | 30.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -139.7 | 6.6 | -176.1 | -56.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1042 | S | 30.7 | Very low | 28.8 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -108.5 | -3.4 | -178.2 | 46.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1043 | D | 27.5 | Very low | 28.6 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -105 | 108 | 178.3 | -76.8 | -60.4 | 0 | 0 | 0 | 112.7 | ||
| 1044 | L | 26 | Very low | 28.5 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | 59 | 111.6 | 142.8 | -68.3 | 163.2 | 0 | 0 | 0 | 120.6 | ||||
| 1045 | S | 26.9 | Very low | 28.8 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | trans | -55.8 | 167.9 | 141.5 | 55.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1046 | I | 25.5 | Very low | 28.7 | Very low | 148 Ų | 148 | 125 Ų | 125 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | trans | 86.5 | 92.7 | -172.1 | -53.9 | 163.3 | 0 | 0 | 0 | 109.6 | ||||
| 1047 | K | 25.5 | Very low | 29 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 80% | 0.8 | 69% | 0.694 | S | S | * | * | 51.5 | 90 | 71.8 | -69.3 | -170.7 | 176 | 179.8 | 0 | 113.8 | |||||
| 1048 | N | 23.7 | Very low | 29.5 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 56% | 0.561 | 70% | 0.696 | S | S | * | * | -177.7 | 131.9 | 106.9 | -86.1 | -15.8 | 0 | 0 | 0 | 108.7 | D1051 | N1048-D1051 HydrophobicContact CB-CB 4.25Å; N1048-D1051 WeakPolarHBondContact CB-OD2 3.21Å; N1048-D1051 PolarHBondContact ND2-OD2 3.47Å | |||
| 1049 | N | 34.7 | Very low | 29.9 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | 70.4 | -164.8 | 93.9 | -134 | 12.8 | 0 | 0 | 0 | 110.4 | D1051 | N1049-D1051 PolarHBondContact O-N 2.97Š| |
| 1050 | P | 20.1 | Very low | 30.7 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 65.2 | 166.3 | 32.4 | -31.8 | 0 | 0 | 0 | 110.1 | N1052 | P1050-N1052 WeakPolarHBondContact O-CB 3.43Š|
| 1051 | D | 40 | Very low | 31.2 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | trans | -109.2 | 65 | 155.6 | -74.9 | -47.5 | 0 | 0 | 0 | 105.4 | N1048 N1049 | N1048-D1051 HydrophobicContact CB-CB 4.25Å; N1048-D1051 WeakPolarHBondContact CB-OD2 3.21Å; N1048-D1051 PolarHBondContact ND2-OD2 3.47Å; N1049-D1051 PolarHBondContact O-N 2.97Å | ||
| 1052 | N | 26.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | 74.9 | 138.6 | 68.5 | -165.9 | 13.9 | 0 | 0 | 0 | 112.5 | P1050 | P1050-N1052 WeakPolarHBondContact O-CB 3.43Š| |||
| 1053 | N | 28 | Very low | 32.1 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | trans | 63.1 | 115.3 | -178.3 | -73 | -54 | 0 | 0 | 0 | 117.1 | ||||
| 1054 | N | 28.5 | Very low | 32.4 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 65% | 0.647 | 68% | 0.679 | S | S | * | * | 32.2 | 104 | 98.6 | -50.3 | -51 | 0 | 0 | 0 | 114.5 | |||||
| 1055 | N | 35.9 | Very low | 33 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | -143 | 133.5 | 88.2 | -90.7 | -27.6 | 0 | 0 | 0 | 109.8 | |||||
| 1056 | I | 29.5 | Very low | 33.8 | Very low | 118 Ų | 118 | 123 Ų | 123 | 61% | 0.605 | 67% | 0.669 | S | S | * | * | 63.5 | 124.2 | 61.9 | -114.5 | 174.5 | 0 | 0 | 0 | 110.6 | |||||
| 1057 | N | 35.6 | Very low | 34.9 | Very low | 119 Ų | 119 | 118.7 Ų | 118.7 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | trans | 71.1 | 138.4 | 152.4 | -64.7 | 3.4 | 0 | 0 | 0 | 117.9 | ||||
| 1058 | N | 38.4 | Very low | 35.6 | Very low | 105 Ų | 105 | 111 Ų | 111 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | cis | -158.7 | 174.4 | -0.2 | -121 | -12.7 | 0 | 0 | 0 | 113.8 | ||||
| 1059 | N | 39.2 | Very low | 36.7 | Very low | 106 Ų | 106 | 108.5 Ų | 108.5 | 57% | 0.567 | 61% | 0.607 | S | S | * | * | 4.4 | 134 | 127.1 | -37.9 | -21.7 | 0 | 0 | 0 | 113.9 | |||||
| 1060 | N | 45.2 | Very low | 36.7 | Very low | 130 Ų | 130 | 102.2 Ų | 102.2 | 70% | 0.695 | 57% | 0.574 | S | S | * | * | cis | -146 | 153.3 | 48.5 | -81.1 | -78.3 | 0 | 0 | 0 | 109.7 | ||||
| 1061 | N | 36.2 | Very low | 37.6 | Very low | 125 Ų | 125 | 103.2 Ų | 103.2 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | 45.4 | 131.7 | 73.1 | -38.8 | -50.2 | 0 | 0 | 0 | 110.5 | |||||
| 1062 | S | 46.9 | Very low | 37 | Very low | 112 Ų | 112 | 102.9 Ų | 102.9 | 78% | 0.783 | 57% | 0.574 | S | S | * | * | cis | -176.6 | 171.5 | 12.9 | 30.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1063 | T | 34.3 | Very low | 38.1 | Very low | 112 Ų | 112 | 100.6 Ų | 100.6 | 69% | 0.687 | 57% | 0.568 | S | S | * | * | cis | -101.6 | 169.4 | 8.1 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1064 | D | 34.8 | Very low | 39.1 | Very low | 124 Ų | 124 | 98.8 Ų | 98.8 | 66% | 0.663 | 56% | 0.564 | S | S | * | * | 0.4 | 160.6 | 122.7 | -18.3 | -46.9 | 0 | 0 | 0 | 119.5 | |||||
| 1065 | I | 37.6 | Very low | 40.1 | Very low | 150 Ų | 150 | 96.7 Ų | 96.7 | 77% | 0.769 | 56% | 0.556 | S | S | * | * | trans | 89 | 150 | 142.4 | -74.7 | 161.8 | 0 | 0 | 0 | 120.2 | ||||
| 1066 | S | 44.8 | Very low | 40.3 | Very low | 74 Ų | 74 | 91.8 Ų | 91.8 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | trans | 46 | 122.8 | 162.3 | 63.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1067 | S | 48 | Very low | 40.2 | Very low | 56 Ų | 56 | 91.1 Ų | 91.1 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | trans | 6.3 | 135.8 | 131.2 | 61.3 | 0 | 0 | 0 | 0 | 120.9 | D1078 E1079 | S1067-D1078 CarbonylContact C-O 3.57Å; S1067-D1078 WeakPolarHBondContact CB-O 3.35Å; S1067-D1078 WeakPolarHBondContact CB-OD2 3.41Å; S1067-D1078 CarbonylContact O-C 3.52Å; S1067-D1078 PolarHBondContact OG-O 3.35Å; S1067-E1079 VanDerWaalsContact O-CB 3.3Å; S1067-E1079 WeakPolarHBondContact O-CB 3.42Å; S1067-E1079 PolarHBondContact O-N 3.04Å; S1067-E1079 PolarHBondContact OG-N 3.37Å; S1067-E1079 VanDerWaalsContact OG-N 3.12Å | ||
| 1068 | S | 40 | Very low | 39.7 | Very low | 24 Ų | 24 | 90.5 Ų | 90.5 | 17% | 0.168 | 52% | 0.52 | C | S | . | . | trans | -164.8 | -46.4 | 165.7 | 55.4 | 0 | 0 | 0 | 0 | 123.1 | V1076 K1077 D1078 S1082 L1083 S1084 | S1068-V1076 CarbonylContact O-C 3.57Å; S1068-V1076 VanDerWaalsContact O-CA 3.26Å; S1068-V1076 WeakPolarHBondContact O-CA 3.46Å; S1068-V1076 WeakPolarHBondContact O-CG1 3.47Å; S1068-K1077 PolarHBondContact O-N 3.14Å; S1068-D1078 WeakPolarHBondContact CA-O 3.17Å; S1068-D1078 PolarHBondContact N-O 3.38Å; S1068-S1082 WeakPolarHBondContact CB-O 3.45Å; S1068-L1083 WeakPolarHBondContact CB-O 3.32Å; S1068-L1083 VanDerWaalsContact OG-C 3.28Å; S1068-L1083 PolarHBondContact OG-O 3.39Å; S1068-S1084 PolarHBondContact OG-O 3.08Å | ||
| 1069 | M | 46.2 | Very low | 38.8 | Very low | 52 Ų | 52 | 88.6 Ų | 88.6 | 26% | 0.256 | 51% | 0.508 | S | S | . | . | B | Isolated β-bridge | trans | 64.2 | -171.9 | 170.3 | -129.2 | 177.3 | 67.3 | 0 | 0 | 123 | K1077 S1084 S1085 | M1069-K1077 HydrophobicContact CB-CB 3.73Å; M1069-K1077 HydrophobicContact CB-CD 3.99Å; M1069-K1077 HydrophobicContact CB-CG 3.63Å; M1069-K1077 HydrophobicContact CE-CG 3.92Å; M1069-K1077 HydrophobicContact CG-CD 4.31Å; M1069-K1077 HydrophobicContact CG-CG 4.17Å; M1069-K1077 HydrophobicContact SD-CD 3.82Å; M1069-K1077 VanDerWaalsContact SD-CE 3.54Å; M1069-K1077 HydrophobicContact SD-CG 3.63Å; M1069-S1084 VanDerWaalsContact CA-C 3.4Å; M1069-S1084 WeakPolarHBondContact CA-O 3.14Å; M1069-S1084 VanDerWaalsContact N-C 3.26Å; M1069-S1084 PolarHBondContact N-O 3Å; M1069-S1084 CarbonylContact O-C 3.43Å; M1069-S1084 VanDerWaalsContact O-C 3.23Å; M1069-S1084 WeakPolarHBondContact O-CA 3.17Å; M1069-S1084 PolarHBondContact O-N 3.19Å; M1069-S1085 CarbonylContact C-O 3.31Å; M1069-S1085 WeakPolarHBondContact CA-O 3.5Å; M1069-S1085 WeakPolarHBondContact CG-O 3.4Å |
| 1070 | D | 36.1 | Very low | 38.1 | Very low | 17 Ų | 17 | 88 Ų | 88 | 9% | 0.091 | 51% | 0.508 | C | S | . | . | trans | -50.5 | 157.1 | -150.6 | -23.9 | -33.6 | 0 | 0 | 0 | 122.1 | S1073 S1074 V1075 V1076 S1085 Q1086 | D1070-S1073 WeakPolarHBondContact CB-O 3.45Å; D1070-S1074 VanDerWaalsContact CB-N 3.3Å; D1070-S1074 VanDerWaalsContact OD2-C 3.31Å; D1070-S1074 WeakPolarHBondContact OD2-CA 3.29Å; D1070-S1074 WeakPolarHBondContact OD2-CB 3.47Å; D1070-S1074 PolarHBondContact OD2-N 3.31Å; D1070-V1075 CarbonylContact O-C 3.57Å; D1070-V1075 PolarHBondContact OD2-N 2.98Å; D1070-V1076 VanDerWaalsContact O-CG2 3.29Å; D1070-V1076 WeakPolarHBondContact O-CG2 3.06Å; D1070-V1076 PolarHBondContact O-N 3.21Å; D1070-S1085 PolarHBondContact N-O 3Å; D1070-S1085 VanDerWaalsContact N-O 3.17Å; D1070-Q1086 HydrophobicContact CB-CG 4.18Å | ||
| 1071 | K | 38.2 | Very low | 37.6 | Very low | 125 Ų | 125 | 86.2 Ų | 86.2 | 54% | 0.543 | 50% | 0.498 | S | S | . | . | -168.1 | 124.3 | 114.6 | -117.8 | -178 | -176 | 172.7 | 0 | 117.3 | S1073 V1075 | K1071-S1073 CarbonylContact C-O 3.49Å; K1071-V1075 VanDerWaalsContact CE-CG2 3.43Å | |||
| 1072 | S | 28.4 | Very low | 37 | Very low | 108 Ų | 108 | 83.4 Ų | 83.4 | 76% | 0.755 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -176 | 31 | 140 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | Q1086 | S1072-Q1086 PolarHBondContact OG-NE2 3.14Š|
| 1073 | S | 48.6 | Very low | 35.7 | Very low | 77 Ų | 77 | 83 Ų | 83 | 54% | 0.538 | 48% | 0.477 | S | S | . | . | S | Bend | cis | -102.3 | -170.1 | 29.4 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | D1070 K1071 Q1086 | D1070-S1073 WeakPolarHBondContact CB-O 3.45Å; K1071-S1073 CarbonylContact C-O 3.49Å; S1073-Q1086 PolarHBondContact O-NE2 3.13Å; S1073-Q1086 VanDerWaalsContact O-NE2 3.12Å |
| 1074 | S | 49.4 | Very low | 35.3 | Very low | 78 Ų | 78 | 81.2 Ų | 81.2 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | S | Bend | cis | -145.5 | 18.2 | 24.7 | -36.6 | 0 | 0 | 0 | 0 | 116.1 | D1070 | D1070-S1074 VanDerWaalsContact CB-N 3.3Å; D1070-S1074 VanDerWaalsContact OD2-C 3.31Å; D1070-S1074 WeakPolarHBondContact OD2-CA 3.29Å; D1070-S1074 WeakPolarHBondContact OD2-CB 3.47Å; D1070-S1074 PolarHBondContact OD2-N 3.31Å |
| 1075 | V | 49.1 | Very low | 35.1 | Very low | 78 Ų | 78 | 79.3 Ų | 79.3 | 47% | 0.473 | 47% | 0.466 | S | S | . | . | trans | 95.2 | 111.1 | -175.3 | -171.2 | 0 | 0 | 0 | 0 | 113.4 | D1070 K1071 | D1070-V1075 CarbonylContact O-C 3.57Å; D1070-V1075 PolarHBondContact OD2-N 2.98Å; K1071-V1075 VanDerWaalsContact CE-CG2 3.43Å | ||
| 1076 | V | 39.9 | Very low | 34.4 | Very low | 37 Ų | 37 | 77.1 Ų | 77.1 | 22% | 0.224 | 45% | 0.452 | C | S | . | . | 19.4 | 123.3 | 127 | 177.2 | 0 | 0 | 0 | 0 | 116.7 | S1068 D1070 | S1068-V1076 CarbonylContact O-C 3.57Å; S1068-V1076 VanDerWaalsContact O-CA 3.26Å; S1068-V1076 WeakPolarHBondContact O-CA 3.46Å; S1068-V1076 WeakPolarHBondContact O-CG1 3.47Å; D1070-V1076 VanDerWaalsContact O-CG2 3.29Å; D1070-V1076 WeakPolarHBondContact O-CG2 3.06Å; D1070-V1076 PolarHBondContact O-N 3.21Å | |||
| 1077 | K | 27.5 | Very low | 33.5 | Very low | 105 Ų | 105 | 79.4 Ų | 79.4 | 46% | 0.457 | 46% | 0.463 | S | S | . | . | trans | -79.8 | 177.6 | 161.3 | -86.4 | 178.7 | 176.6 | 176.5 | 0 | 110.2 | S1068 M1069 | S1068-K1077 PolarHBondContact O-N 3.14Å; M1069-K1077 HydrophobicContact CB-CB 3.73Å; M1069-K1077 HydrophobicContact CB-CD 3.99Å; M1069-K1077 HydrophobicContact CB-CG 3.63Å; M1069-K1077 HydrophobicContact CE-CG 3.92Å; M1069-K1077 HydrophobicContact CG-CD 4.31Å; M1069-K1077 HydrophobicContact CG-CG 4.17Å; M1069-K1077 HydrophobicContact SD-CD 3.82Å; M1069-K1077 VanDerWaalsContact SD-CE 3.54Å; M1069-K1077 HydrophobicContact SD-CG 3.63Å | ||
| 1078 | D | 25.3 | Very low | 32.5 | Very low | 105 Ų | 105 | 83.1 Ų | 83.1 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -31.2 | 137.5 | 135.6 | 47 | -71.4 | 0 | 0 | 0 | 111.8 | S1067 S1068 | S1067-D1078 CarbonylContact C-O 3.57Å; S1067-D1078 WeakPolarHBondContact CB-O 3.35Å; S1067-D1078 WeakPolarHBondContact CB-OD2 3.41Å; S1067-D1078 CarbonylContact O-C 3.52Å; S1067-D1078 PolarHBondContact OG-O 3.35Å; S1068-D1078 WeakPolarHBondContact CA-O 3.17Å; S1068-D1078 PolarHBondContact N-O 3.38Å |
| 1079 | E | 19.4 | Very low | 31.9 | Very low | 66 Ų | 66 | 88.4 Ų | 88.4 | 31% | 0.308 | 52% | 0.515 | S | S | . | . | S | Bend | cis | -65.1 | 147.5 | -3.1 | -152.9 | -55.4 | 102.2 | 0 | 0 | 111.5 | S1067 N1081 S1082 | S1067-E1079 VanDerWaalsContact O-CB 3.3Å; S1067-E1079 WeakPolarHBondContact O-CB 3.42Å; S1067-E1079 PolarHBondContact O-N 3.04Å; S1067-E1079 PolarHBondContact OG-N 3.37Å; S1067-E1079 VanDerWaalsContact OG-N 3.12Å; E1079-N1081 CarbonylContact O-C 3.52Å; E1079-N1081 VanDerWaalsContact O-C 3.31Å; E1079-N1081 PolarHBondContact O-N 2.7Å; E1079-S1082 PolarHBondContact O-N 2.9Å; E1079-S1082 WeakPolarHBondContact OE2-CB 3.47Å; E1079-S1082 PolarHBondContact OE2-OG 2.57Å |
| 1080 | T | 24 | Very low | 31 | Very low | 94 Ų | 94 | 91.1 Ų | 91.1 | 58% | 0.577 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 5.2 | -88.8 | -164.7 | 43.6 | 0 | 0 | 0 | 0 | 120.5 | ||
| 1081 | N | 34.3 | Very low | 30.6 | Very low | 91 Ų | 91 | 92.2 Ų | 92.2 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | S | Bend | cis | 85.9 | -83.5 | 11.9 | -44.3 | -3.8 | 0 | 0 | 0 | 119.6 | E1079 L1083 | E1079-N1081 CarbonylContact O-C 3.52Å; E1079-N1081 VanDerWaalsContact O-C 3.31Å; E1079-N1081 PolarHBondContact O-N 2.7Å; N1081-L1083 PolarHBondContact O-N 2.93Å |
| 1082 | S | 24.5 | Very low | 30.1 | Very low | 66 Ų | 66 | 91.8 Ų | 91.8 | 46% | 0.462 | 54% | 0.542 | S | S | . | . | trans | -84.6 | 58.6 | -141.4 | -47.7 | 0 | 0 | 0 | 0 | 117.2 | S1068 E1079 | S1068-S1082 WeakPolarHBondContact CB-O 3.45Å; E1079-S1082 PolarHBondContact O-N 2.9Å; E1079-S1082 WeakPolarHBondContact OE2-CB 3.47Å; E1079-S1082 PolarHBondContact OE2-OG 2.57Å | ||
| 1083 | L | 20.2 | Very low | 30.2 | Very low | 103 Ų | 103 | 91 Ų | 91 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | trans | 66.6 | 121.4 | 146.5 | -112.2 | 81.3 | 0 | 0 | 0 | 125.6 | S1068 N1081 | S1068-L1083 WeakPolarHBondContact CB-O 3.32Å; S1068-L1083 VanDerWaalsContact OG-C 3.28Å; S1068-L1083 PolarHBondContact OG-O 3.39Å; N1081-L1083 PolarHBondContact O-N 2.93Å | ||
| 1084 | S | 25.9 | Very low | 29.4 | Very low | 75 Ų | 75 | 91 Ų | 91 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | B | Isolated β-bridge | trans | 82.4 | 140.6 | 154.3 | 82.5 | 0 | 0 | 0 | 0 | 120.1 | S1068 M1069 | S1068-S1084 PolarHBondContact OG-O 3.08Å; M1069-S1084 VanDerWaalsContact CA-C 3.4Å; M1069-S1084 WeakPolarHBondContact CA-O 3.14Å; M1069-S1084 VanDerWaalsContact N-C 3.26Å; M1069-S1084 PolarHBondContact N-O 3Å; M1069-S1084 CarbonylContact O-C 3.43Å; M1069-S1084 VanDerWaalsContact O-C 3.23Å; M1069-S1084 WeakPolarHBondContact O-CA 3.17Å; M1069-S1084 PolarHBondContact O-N 3.19Å |
| 1085 | S | 29.4 | Very low | 28.7 | Very low | 85 Ų | 85 | 93 Ų | 93 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | cis | -144.5 | -152 | 2.2 | 64.7 | 0 | 0 | 0 | 0 | 112.3 | M1069 D1070 | M1069-S1085 CarbonylContact C-O 3.31Å; M1069-S1085 WeakPolarHBondContact CA-O 3.5Å; M1069-S1085 WeakPolarHBondContact CG-O 3.4Å; D1070-S1085 PolarHBondContact N-O 3Å; D1070-S1085 VanDerWaalsContact N-O 3.17Å | ||
| 1086 | Q | 23.8 | Very low | 28.2 | Very low | 104 Ų | 104 | 90.8 Ų | 90.8 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | trans | -104 | 160 | -157.4 | -71.9 | 172.4 | -26.6 | 0 | 0 | 118 | D1070 S1072 S1073 | D1070-Q1086 HydrophobicContact CB-CG 4.18Å; S1072-Q1086 PolarHBondContact OG-NE2 3.14Å; S1073-Q1086 PolarHBondContact O-NE2 3.13Å; S1073-Q1086 VanDerWaalsContact O-NE2 3.12Å | ||
| 1087 | T | 25.6 | Very low | 28.1 | Very low | 121 Ų | 121 | 92.5 Ų | 92.5 | 74% | 0.742 | 52% | 0.523 | S | S | * | . | trans | -130.7 | 121 | 163.1 | 6.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1088 | T | 27.8 | Very low | 28.6 | Very low | 135 Ų | 135 | 90.4 Ų | 90.4 | 83% | 0.828 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 125.9 | -178.6 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1089 | T | 26.6 | Very low | 29.6 | Very low | 135 Ų | 135 | 88.7 Ų | 88.7 | 83% | 0.828 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 119.3 | -176.6 | 39.4 | 0 | 0 | 0 | 0 | 113 | S1091 | T1089-S1091 PolarHBondContact O-N 3.49Š|
| 1090 | L | 26.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 92.7 Ų | 92.7 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -57 | 135.2 | 157.6 | -93 | 164 | 0 | 0 | 0 | 108.9 | D1094 | L1090-D1094 HydrophobicContact CD2-CB 4.4Š|
| 1091 | S | 28.6 | Very low | 31.6 | Very low | 40 Ų | 40 | 90.5 Ų | 90.5 | 28% | 0.28 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 150.3 | -163 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | T1089 T1093 D1094 Q1095 | T1089-S1091 PolarHBondContact O-N 3.49Å; S1091-T1093 VanDerWaalsContact CB-OG1 3.22Å; S1091-T1093 WeakPolarHBondContact CB-OG1 3.44Å; S1091-T1093 PolarHBondContact O-N 3.1Å; S1091-T1093 WeakPolarHBondContact OG-CB 3.21Å; S1091-T1093 PolarHBondContact OG-OG1 3.02Å; S1091-D1094 WeakPolarHBondContact CB-OD2 3.35Å; S1091-D1094 PolarHBondContact N-OD2 2.81Å; S1091-D1094 PolarHBondContact O-N 2.87Å; S1091-D1094 VanDerWaalsContact OG-CG 3.25Å; S1091-D1094 PolarHBondContact OG-N 3.29Å; S1091-D1094 PolarHBondContact OG-OD2 3.08Å; S1091-Q1095 PolarHBondContact O-N 2.96Å |
| 1092 | L | 27.2 | Very low | 32.1 | Very low | 116 Ų | 116 | 89.5 Ų | 89.5 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.9 | -28.5 | 169.7 | -99.2 | 162 | 0 | 0 | 0 | 111.1 | S1096 | L1092-S1096 WeakPolarHBondContact O-CB 3.34Å; L1092-S1096 PolarHBondContact O-N 3.44Å; L1092-S1096 PolarHBondContact O-OG 2.77Å |
| 1093 | T | 30.7 | Very low | 33 | Very low | 92 Ų | 92 | 86.4 Ų | 86.4 | 56% | 0.564 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.2 | -55.4 | 164.6 | 20.7 | 0 | 0 | 0 | 0 | 111.9 | S1091 Q1095 S1096 L1097 | S1091-T1093 VanDerWaalsContact CB-OG1 3.22Å; S1091-T1093 WeakPolarHBondContact CB-OG1 3.44Å; S1091-T1093 PolarHBondContact O-N 3.1Å; S1091-T1093 WeakPolarHBondContact OG-CB 3.21Å; S1091-T1093 PolarHBondContact OG-OG1 3.02Å; T1093-Q1095 PolarHBondContact O-N 3.25Å; T1093-S1096 CarbonylContact O-C 3.39Å; T1093-S1096 PolarHBondContact O-N 2.94Å; T1093-S1096 PolarHBondContact O-OG 3.25Å; T1093-L1097 WeakPolarHBondContact O-CA 3.36Å; T1093-L1097 WeakPolarHBondContact O-CB 3.26Å; T1093-L1097 PolarHBondContact O-N 3.21Å |
| 1094 | D | 32.7 | Very low | 34.1 | Very low | 76 Ų | 76 | 84.7 Ų | 84.7 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | -179.6 | -69.8 | -62.5 | 0 | 0 | 0 | 113.5 | L1090 S1091 L1097 A1098 | L1090-D1094 HydrophobicContact CD2-CB 4.4Å; S1091-D1094 WeakPolarHBondContact CB-OD2 3.35Å; S1091-D1094 PolarHBondContact N-OD2 2.81Å; S1091-D1094 PolarHBondContact O-N 2.87Å; S1091-D1094 VanDerWaalsContact OG-CG 3.25Å; S1091-D1094 PolarHBondContact OG-N 3.29Å; S1091-D1094 PolarHBondContact OG-OD2 3.08Å; D1094-L1097 PolarHBondContact O-N 2.84Å; D1094-A1098 VanDerWaalsContact O-CB 3.28Å; D1094-A1098 WeakPolarHBondContact O-CB 3.3Å; D1094-A1098 PolarHBondContact O-N 2.85Å |
| 1095 | Q | 35.1 | Very low | 34.8 | Very low | 120 Ų | 120 | 82.8 Ų | 82.8 | 56% | 0.561 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.1 | -41 | 178.3 | -66 | -160.4 | 23 | 0 | 0 | 112.2 | S1091 T1093 L1097 R1099 | S1091-Q1095 PolarHBondContact O-N 2.96Å; T1093-Q1095 PolarHBondContact O-N 3.25Å; Q1095-L1097 VanDerWaalsContact C-N 3.29Å; Q1095-L1097 PolarHBondContact O-N 3.41Å; Q1095-R1099 WeakPolarHBondContact O-CB 3.49Å; Q1095-R1099 WeakPolarHBondContact O-CG 3.35Å; Q1095-R1099 PolarHBondContact O-N 3.21Å |
| 1096 | S | 37.7 | Very low | 35.6 | Very low | 32 Ų | 32 | 79.6 Ų | 79.6 | 22% | 0.224 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73.2 | -21.3 | 175.2 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | L1092 T1093 R1100 | L1092-S1096 WeakPolarHBondContact O-CB 3.34Å; L1092-S1096 PolarHBondContact O-N 3.44Å; L1092-S1096 PolarHBondContact O-OG 2.77Å; T1093-S1096 CarbonylContact O-C 3.39Å; T1093-S1096 PolarHBondContact O-N 2.94Å; T1093-S1096 PolarHBondContact O-OG 3.25Å; S1096-R1100 WeakPolarHBondContact O-CB 3.31Å; S1096-R1100 WeakPolarHBondContact O-CG 3.49Å; S1096-R1100 PolarHBondContact O-N 2.91Å; S1096-R1100 PolarHBondContact O-NE 3.07Å; S1096-R1100 PolarHBondContact OG-NH2 3.14Å |
| 1097 | L | 38.6 | Very low | 36.6 | Very low | 73 Ų | 73 | 77.9 Ų | 77.9 | 38% | 0.382 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -78.8 | -44.6 | 173.8 | -174.3 | 70.4 | 0 | 0 | 0 | 109.9 | T1093 D1094 Q1095 R1100 H1101 | T1093-L1097 WeakPolarHBondContact O-CA 3.36Å; T1093-L1097 WeakPolarHBondContact O-CB 3.26Å; T1093-L1097 PolarHBondContact O-N 3.21Å; D1094-L1097 PolarHBondContact O-N 2.84Å; Q1095-L1097 VanDerWaalsContact C-N 3.29Å; Q1095-L1097 PolarHBondContact O-N 3.41Å; L1097-R1100 PolarHBondContact O-N 3.12Å; L1097-H1101 VanDerWaalsContact CD1-CE1 3.45Å; L1097-H1101 WeakPolarHBondContact CD1-CE1 3.24Å; L1097-H1101 VanDerWaalsContact CD1-NE2 3.3Å; L1097-H1101 WeakPolarHBondContact CD1-NE2 3.46Å; L1097-H1101 WeakPolarHBondContact CG-NE2 3.41Å; L1097-H1101 WeakPolarHBondContact O-CB 3.42Å; L1097-H1101 PolarHBondContact O-CD2 2.86Å; L1097-H1101 VanDerWaalsContact O-CD2 3.32Å; L1097-H1101 PolarHBondContact O-N 3.35Å |
| 1098 | A | 37.1 | Very low | 37.3 | Very low | 61 Ų | 61 | 75.7 Ų | 75.7 | 50% | 0.504 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1094 H1101 L1102 | D1094-A1098 VanDerWaalsContact O-CB 3.28Å; D1094-A1098 WeakPolarHBondContact O-CB 3.3Å; D1094-A1098 PolarHBondContact O-N 2.85Å; A1098-H1101 PolarHBondContact O-N 3.49Å; A1098-L1102 WeakPolarHBondContact O-CB 3.26Å; A1098-L1102 PolarHBondContact O-N 3.3Å |
| 1099 | R | 46.2 | Very low | 38 | Very low | 68 Ų | 68 | 70.6 Ų | 70.6 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 172.7 | -76.1 | 175.8 | 168.7 | -166.3 | -12.2 | 112.1 | Q1095 H1101 L1102 C1103 W1206 | Q1095-R1099 WeakPolarHBondContact O-CB 3.49Å; Q1095-R1099 WeakPolarHBondContact O-CG 3.35Å; Q1095-R1099 PolarHBondContact O-N 3.21Å; R1099-H1101 PolarHBondContact O-N 2.87Å; R1099-L1102 PolarHBondContact O-N 2.89Å; R1099-C1103 VanDerWaalsContact O-CB 3.3Å; R1099-C1103 WeakPolarHBondContact O-CB 3.43Å; R1099-C1103 PolarHBondContact O-N 3.12Å; R1099-C1103 PolarHBondContact O-SG 2.88Å; R1099-W1206 PolarHBondContact NH1-O 3.19Å |
| 1100 | R | 45 | Very low | 38.6 | Very low | 151 Ų | 151 | 70.7 Ų | 70.7 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.7 | -34.2 | 174.7 | -84.3 | 179.7 | -92.6 | -166.7 | -7.7 | 112.2 | S1096 L1097 S1104 | S1096-R1100 WeakPolarHBondContact O-CB 3.31Å; S1096-R1100 WeakPolarHBondContact O-CG 3.49Å; S1096-R1100 PolarHBondContact O-N 2.91Å; S1096-R1100 PolarHBondContact O-NE 3.07Å; S1096-R1100 PolarHBondContact OG-NH2 3.14Å; L1097-R1100 PolarHBondContact O-N 3.12Å; R1100-S1104 WeakPolarHBondContact O-CA 3.41Å; R1100-S1104 WeakPolarHBondContact O-CB 3.25Å; R1100-S1104 PolarHBondContact O-N 3.25Å |
| 1101 | H | 40.1 | Very low | 39.2 | Very low | 48 Ų | 48 | 73.1 Ų | 73.1 | 22% | 0.222 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -77.7 | -38.1 | 176.8 | -69.6 | -17.1 | 0 | 0 | 0 | 112.8 | Q989 R993 L1097 A1098 R1099 S1104 T1105 | Q989-H1101 PolarHBondContact NE2-CD2 3.2Å; Q989-H1101 PolarHBondContact NE2-NE2 2.7Å; R993-H1101 PolarHBondContact NH2-CE1 2.73Å; R993-H1101 PolarHBondContact NH2-NE2 3.47Å; L1097-H1101 VanDerWaalsContact CD1-CE1 3.45Å; L1097-H1101 WeakPolarHBondContact CD1-CE1 3.24Å; L1097-H1101 VanDerWaalsContact CD1-NE2 3.3Å; L1097-H1101 WeakPolarHBondContact CD1-NE2 3.46Å; L1097-H1101 WeakPolarHBondContact CG-NE2 3.41Å; L1097-H1101 WeakPolarHBondContact O-CB 3.42Å; L1097-H1101 PolarHBondContact O-CD2 2.86Å; L1097-H1101 VanDerWaalsContact O-CD2 3.32Å; L1097-H1101 PolarHBondContact O-N 3.35Å; A1098-H1101 PolarHBondContact O-N 3.49Å; R1099-H1101 PolarHBondContact O-N 2.87Å; H1101-S1104 PolarHBondContact O-N 2.9Å; H1101-T1105 WeakPolarHBondContact O-CB 3.27Å; H1101-T1105 PolarHBondContact O-N 3.01Å; H1101-T1105 PolarHBondContact O-OG1 3.23Å |
| 1102 | L | 45.3 | Very low | 39.8 | Very low | 69 Ų | 69 | 75.1 Ų | 75.1 | 36% | 0.361 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 171.9 | -169.2 | 61.6 | 0 | 0 | 0 | 110.7 | A1098 R1099 T1105 I1106 L1203 | A1098-L1102 WeakPolarHBondContact O-CB 3.26Å; A1098-L1102 PolarHBondContact O-N 3.3Å; R1099-L1102 PolarHBondContact O-N 2.89Å; L1102-T1105 WeakPolarHBondContact O-CB 3.1Å; L1102-T1105 PolarHBondContact O-N 3.14Å; L1102-I1106 HydrophobicContact CD1-CD1 4.49Å; L1102-I1106 HydrophobicContact CG-CD1 4.13Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.2Å; L1102-I1106 VanDerWaalsContact O-CG1 3.22Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.42Å; L1102-I1106 PolarHBondContact O-N 3.21Å; L1102-L1203 HydrophobicContact CD2-CD1 3.6Å; L1102-L1203 HydrophobicContact CD2-CD2 4.15Å; L1102-L1203 HydrophobicContact CG-CD1 3.92Å |
| 1103 | C | 44.2 | Very low | 40.4 | Very low | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 172.9 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | R1099 T1105 I1106 I1107 L1203 L1204 | R1099-C1103 VanDerWaalsContact O-CB 3.3Å; R1099-C1103 WeakPolarHBondContact O-CB 3.43Å; R1099-C1103 PolarHBondContact O-N 3.12Å; R1099-C1103 PolarHBondContact O-SG 2.88Å; C1103-T1105 PolarHBondContact O-N 3.03Å; C1103-I1106 PolarHBondContact O-N 3.1Å; C1103-I1107 VanDerWaalsContact O-CB 3.26Å; C1103-I1107 WeakPolarHBondContact O-CB 3.17Å; C1103-I1107 WeakPolarHBondContact O-CD1 3.43Å; C1103-I1107 WeakPolarHBondContact O-CG1 3.36Å; C1103-I1107 PolarHBondContact O-N 2.83Å; C1103-L1203 WeakPolarHBondContact SG-CB 3.46Å; C1103-L1204 HydrophobicContact CB-CD2 3.72Å; C1103-L1204 HydrophobicContact CB-CG 3.96Å |
| 1104 | S | 42.4 | Very low | 40.5 | Very low | 66 Ų | 66 | 72.7 Ų | 72.7 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.6 | -36 | 172.8 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | R1100 H1101 F1108 | R1100-S1104 WeakPolarHBondContact O-CA 3.41Å; R1100-S1104 WeakPolarHBondContact O-CB 3.25Å; R1100-S1104 PolarHBondContact O-N 3.25Å; H1101-S1104 PolarHBondContact O-N 2.9Å; S1104-F1108 WeakPolarHBondContact O-CB 3.35Å; S1104-F1108 PolarHBondContact O-N 3.44Å |
| 1105 | T | 41 | Very low | 40.4 | Very low | 35 Ų | 35 | 73 Ų | 73 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 179.1 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | L996 H1101 L1102 C1103 F1108 A1109 | L996-T1105 HydrophobicContact CD1-CG2 3.28Å; H1101-T1105 WeakPolarHBondContact O-CB 3.27Å; H1101-T1105 PolarHBondContact O-N 3.01Å; H1101-T1105 PolarHBondContact O-OG1 3.23Å; L1102-T1105 WeakPolarHBondContact O-CB 3.1Å; L1102-T1105 PolarHBondContact O-N 3.14Å; C1103-T1105 PolarHBondContact O-N 3.03Å; T1105-F1108 PolarHBondContact O-N 3Å; T1105-A1109 WeakPolarHBondContact O-CB 3.2Å; T1105-A1109 PolarHBondContact O-N 2.67Å |
| 1106 | I | 45.9 | Very low | 40.1 | Very low | 18 Ų | 18 | 75.1 Ų | 75.1 | 9% | 0.092 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -75.6 | -31.3 | 177.5 | -56.6 | 159.5 | 0 | 0 | 0 | 111.3 | L1102 C1103 R1110 F1196 A1200 L1203 | L1102-I1106 HydrophobicContact CD1-CD1 4.49Å; L1102-I1106 HydrophobicContact CG-CD1 4.13Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.2Å; L1102-I1106 VanDerWaalsContact O-CG1 3.22Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.42Å; L1102-I1106 PolarHBondContact O-N 3.21Å; C1103-I1106 PolarHBondContact O-N 3.1Å; I1106-R1110 WeakPolarHBondContact O-CB 3.42Å; I1106-R1110 PolarHBondContact O-N 2.99Å; I1106-F1196 HydrophobicContact CG2-CB 3.61Å; I1106-F1196 HydrophobicContact CG2-CD1 3.85Å; I1106-F1196 HydrophobicContact CG2-CG 4.1Å; I1106-F1196 WeakPolarHBondContact CG2-O 3.19Å; I1106-A1200 HydrophobicContact CB-CB 4.06Å; I1106-A1200 HydrophobicContact CG2-CB 3.76Å; I1106-L1203 HydrophobicContact CD1-CD1 3.69Å |
| 1107 | I | 45.4 | Very low | 39.8 | Very low | 69 Ų | 69 | 82.8 Ų | 82.8 | 35% | 0.354 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 169.9 | -70.5 | 165 | 0 | 0 | 0 | 110.9 | C1103 R1110 R1111 L1204 | C1103-I1107 VanDerWaalsContact O-CB 3.26Å; C1103-I1107 WeakPolarHBondContact O-CB 3.17Å; C1103-I1107 WeakPolarHBondContact O-CD1 3.43Å; C1103-I1107 WeakPolarHBondContact O-CG1 3.36Å; C1103-I1107 PolarHBondContact O-N 2.83Å; I1107-R1110 WeakPolarHBondContact O-CB 3.13Å; I1107-R1110 PolarHBondContact O-N 2.88Å; I1107-R1111 WeakPolarHBondContact O-CB 3.45Å; I1107-R1111 PolarHBondContact O-N 3.31Å; I1107-L1204 HydrophobicContact CD1-CD1 4.41Å |
| 1108 | F | 39.4 | Very low | 39.3 | Very low | 74 Ų | 74 | 82.3 Ų | 82.3 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 173.7 | -166.4 | -83.6 | 0 | 0 | 0 | 110.3 | L996 S1104 T1105 R1110 R1111 H1112 | L996-F1108 WeakPolarHBondContact O-CE1 3.28Å; S1104-F1108 WeakPolarHBondContact O-CB 3.35Å; S1104-F1108 PolarHBondContact O-N 3.44Å; T1105-F1108 PolarHBondContact O-N 3Å; F1108-R1110 VanDerWaalsContact C-N 3.34Å; F1108-R1110 PolarHBondContact O-N 2.91Å; F1108-R1111 WeakPolarHBondContact O-CA 3.16Å; F1108-R1111 WeakPolarHBondContact O-CB 3.44Å; F1108-R1111 PolarHBondContact O-N 3.22Å; F1108-H1112 AromaticContact CD1-CD2 3.64Å; F1108-H1112 AromaticContact CE1-CD2 3.32Å; F1108-H1112 WeakPolarHBondContact CE1-CD2 3.5Å; F1108-H1112 AromaticContact CE1-NE2 3.57Å; F1108-H1112 AromaticContact CE2-NE2 3.88Å; F1108-H1112 AromaticContact CZ-CD2 3.69Å; F1108-H1112 AromaticContact CZ-NE2 3.39Å; F1108-H1112 WeakPolarHBondContact CZ-NE2 3.47Å; F1108-H1112 PolarHBondContact O-CD2 3.38Å; F1108-H1112 PolarHBondContact O-N 3.42Å; F1108-H1112 VanDerWaalsContact O-N 3.1Å |
| 1109 | A | 41.9 | Very low | 38.9 | Very low | 29 Ų | 29 | 85 Ų | 85 | 24% | 0.24 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -54.8 | -47.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1105 R1111 H1112 L1113 | T1105-A1109 WeakPolarHBondContact O-CB 3.2Å; T1105-A1109 PolarHBondContact O-N 2.67Å; A1109-R1111 PolarHBondContact O-N 2.94Å; A1109-H1112 CarbonylContact O-C 3.46Å; A1109-H1112 PolarHBondContact O-N 3.45Å; A1109-H1112 VanDerWaalsContact O-N 3.14Å; A1109-L1113 HydrophobicContact CB-CD1 4.33Å; A1109-L1113 VanDerWaalsContact O-CB 3.31Å; A1109-L1113 WeakPolarHBondContact O-CB 3.36Å; A1109-L1113 WeakPolarHBondContact O-CG 3.29Å; A1109-L1113 PolarHBondContact O-N 3.38Å |
| 1110 | R | 41 | Very low | 38.1 | Very low | 136 Ų | 136 | 87.1 Ų | 87.1 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.8 | -36.4 | 172.1 | 170.7 | -160.3 | 172.6 | 170.1 | -3 | 112.8 | I1106 I1107 F1108 H1112 L1197 | I1106-R1110 WeakPolarHBondContact O-CB 3.42Å; I1106-R1110 PolarHBondContact O-N 2.99Å; I1107-R1110 WeakPolarHBondContact O-CB 3.13Å; I1107-R1110 PolarHBondContact O-N 2.88Å; F1108-R1110 VanDerWaalsContact C-N 3.34Å; F1108-R1110 PolarHBondContact O-N 2.91Å; R1110-H1112 VanDerWaalsContact C-N 3.34Å; R1110-L1197 HydrophobicContact CG-CD2 4.2Å |
| 1111 | R | 38 | Very low | 37.4 | Very low | 160 Ų | 160 | 85.4 Ų | 85.4 | 60% | 0.604 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -75.2 | -22.9 | -178 | -149.1 | 168.3 | 178.7 | 142.9 | -2.9 | 112.6 | I1107 F1108 A1109 | I1107-R1111 WeakPolarHBondContact O-CB 3.45Å; I1107-R1111 PolarHBondContact O-N 3.31Å; F1108-R1111 WeakPolarHBondContact O-CA 3.16Å; F1108-R1111 WeakPolarHBondContact O-CB 3.44Å; F1108-R1111 PolarHBondContact O-N 3.22Å; A1109-R1111 PolarHBondContact O-N 2.94Å |
| 1112 | H | 42.1 | Very low | 37.1 | Very low | 83 Ų | 83 | 83.3 Ų | 83.3 | 38% | 0.384 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -108.5 | -10.4 | 178.2 | -67.1 | -81 | 0 | 0 | 0 | 114.7 | F1001 F1108 A1109 R1110 L1114 | F1001-H1112 HydrophobicContact CD2-CB 4.01Å; F1001-H1112 HydrophobicContact CE2-CB 3.69Å; F1001-H1112 HydrophobicContact CZ-CB 4.15Å; F1108-H1112 AromaticContact CD1-CD2 3.64Å; F1108-H1112 AromaticContact CE1-CD2 3.32Å; F1108-H1112 WeakPolarHBondContact CE1-CD2 3.5Å; F1108-H1112 AromaticContact CE1-NE2 3.57Å; F1108-H1112 AromaticContact CE2-NE2 3.88Å; F1108-H1112 AromaticContact CZ-CD2 3.69Å; F1108-H1112 AromaticContact CZ-NE2 3.39Å; F1108-H1112 WeakPolarHBondContact CZ-NE2 3.47Å; F1108-H1112 PolarHBondContact O-CD2 3.38Å; F1108-H1112 PolarHBondContact O-N 3.42Å; F1108-H1112 VanDerWaalsContact O-N 3.1Å; A1109-H1112 CarbonylContact O-C 3.46Å; A1109-H1112 PolarHBondContact O-N 3.45Å; A1109-H1112 VanDerWaalsContact O-N 3.14Å; R1110-H1112 VanDerWaalsContact C-N 3.34Å; H1112-L1114 PolarHBondContact O-N 2.96Å |
| 1113 | L | 39.5 | Very low | 36.1 | Very low | 38 Ų | 38 | 86.4 Ų | 86.4 | 20% | 0.199 | 44% | 0.435 | C | S | . | . | trans | -80.5 | 48 | 169.3 | -71.4 | 167.6 | 0 | 0 | 0 | 112.4 | F1001 A1109 R1193 F1196 | F1001-L1113 HydrophobicContact CE1-CD2 4.43Å; A1109-L1113 HydrophobicContact CB-CD1 4.33Å; A1109-L1113 VanDerWaalsContact O-CB 3.31Å; A1109-L1113 WeakPolarHBondContact O-CB 3.36Å; A1109-L1113 WeakPolarHBondContact O-CG 3.29Å; A1109-L1113 PolarHBondContact O-N 3.38Å; L1113-R1193 PolarHBondContact O-NH1 2.79Å; L1113-F1196 HydrophobicContact CD1-CD2 4.18Å | ||
| 1114 | L | 33.3 | Very low | 35.3 | Very low | 119 Ų | 119 | 90.3 Ų | 90.3 | 62% | 0.623 | 46% | 0.458 | S | S | * | . | trans | -104.8 | 112.8 | 179.1 | -100.1 | 168.3 | 0 | 0 | 0 | 110.7 | H1112 | H1112-L1114 PolarHBondContact O-N 2.96Š| ||
| 1115 | P | 30.4 | Very low | 34.5 | Very low | 83 Ų | 83 | 90.9 Ų | 90.9 | 54% | 0.539 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 131.6 | 163.6 | 31.2 | -31.2 | 0 | 0 | 0 | 109.4 | ||
| 1116 | L | 28.8 | Very low | 33.7 | Very low | 163 Ų | 163 | 94.6 Ų | 94.6 | 85% | 0.853 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 128.8 | 160.2 | -68.9 | 171.8 | 0 | 0 | 0 | 107.9 | P1118 | L1116-P1118 WeakPolarHBondContact O-CD 3.2Š|
| 1117 | Y | 29.5 | Very low | 32.7 | Very low | 194 Ų | 194 | 98.6 Ų | 98.6 | 76% | 0.761 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 124.8 | -177.7 | -107 | -87.4 | 0 | 0 | 0 | 111.1 | ||
| 1118 | P | 28.1 | Very low | 31.7 | Very low | 63 Ų | 63 | 98.7 Ų | 98.7 | 41% | 0.409 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 171.6 | 147.9 | 38.2 | -34.3 | 0 | 0 | 0 | 110.8 | L1116 N1122 T1823 | L1116-P1118 WeakPolarHBondContact O-CD 3.2Å; P1118-N1122 HydrophobicContact CB-CB 4.16Å; P1118-T1823 WeakPolarHBondContact CB-OG1 3.19Å |
| 1119 | K | 28.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 101 Ų | 101 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 161.2 | 179.3 | -72.1 | 179.7 | 180 | 176.9 | 0 | 112.6 | D1121 N1122 | K1119-D1121 PolarHBondContact O-N 2.82Å; K1119-D1121 VanDerWaalsContact O-N 3.1Å; K1119-N1122 PolarHBondContact O-N 3.42Å; K1119-N1122 VanDerWaalsContact O-N 3.09Å |
| 1120 | P | 29.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 107.4 Ų | 107.4 | 73% | 0.734 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -55.1 | -28.9 | -179.9 | -26.4 | 36.2 | 0 | 0 | 0 | 114.3 | N1122 | P1120-N1122 PolarHBondContact O-N 3.11Å; P1120-N1122 VanDerWaalsContact O-N 3.12Å |
| 1121 | D | 31.3 | Very low | 29.6 | Very low | 115 Ų | 115 | 108.6 Ų | 108.6 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -68.7 | -7.9 | -178 | -36.2 | -66.2 | 0 | 0 | 0 | 113.2 | K1119 | K1119-D1121 PolarHBondContact O-N 2.82Å; K1119-D1121 VanDerWaalsContact O-N 3.1Å |
| 1122 | N | 32.6 | Very low | 29 | Very low | 4 Ų | 4 | 107.7 Ų | 107.7 | 2% | 0.021 | 54% | 0.543 | C | S | . | . | G | 310 helix | trans | -106.3 | 20.4 | -168.3 | -66.3 | -8.9 | 0 | 0 | 0 | 115.8 | P1118 K1119 P1120 R1821 L1822 T1823 N1824 A1827 | P1118-N1122 HydrophobicContact CB-CB 4.16Å; K1119-N1122 PolarHBondContact O-N 3.42Å; K1119-N1122 VanDerWaalsContact O-N 3.09Å; P1120-N1122 PolarHBondContact O-N 3.11Å; P1120-N1122 VanDerWaalsContact O-N 3.12Å; N1122-R1821 PolarHBondContact ND2-O 2.71Å; N1122-L1822 VanDerWaalsContact OD1-CD2 3.27Å; N1122-L1822 WeakPolarHBondContact OD1-CD2 3.42Å; N1122-T1823 PolarHBondContact ND2-N 2.78Å; N1122-T1823 VanDerWaalsContact ND2-N 3.13Å; N1122-T1823 PolarHBondContact ND2-OG1 3.41Å; N1122-N1824 HydrophobicContact CB-CB 4.24Å; N1122-N1824 WeakPolarHBondContact O-CB 3.2Å; N1122-N1824 PolarHBondContact O-ND2 3.03Å; N1122-A1827 VanDerWaalsContact CA-CB 3.49Å; N1122-A1827 HydrophobicContact CB-CB 3.95Å |
| 1123 | M | 26 | Very low | 28.2 | Very low | 135 Ų | 135 | 112.3 Ų | 112.3 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | trans | -98.4 | -9.5 | -151.3 | -159.4 | 153.9 | -179.6 | 0 | 0 | 119.1 | ||||
| 1124 | T | 25.7 | Very low | 27.4 | Very low | 83 Ų | 83 | 118 Ų | 118 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | trans | -79.1 | 175.9 | 174.9 | 30.6 | 0 | 0 | 0 | 0 | 113.3 | N1824 F1826 | T1124-N1824 PolarHBondContact O-ND2 2.91Å; T1124-F1826 VanDerWaalsContact C-CD1 3.46Å; T1124-F1826 WeakPolarHBondContact O-CB 3.45Å; T1124-F1826 VanDerWaalsContact O-CG 3.25Å; T1124-F1826 WeakPolarHBondContact O-CG 3.44Å; T1124-F1826 VanDerWaalsContact OG1-CB 3.32Å; T1124-F1826 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 1125 | M | 26.5 | Very low | 27 | Very low | 79 Ų | 79 | 117 Ų | 117 | 39% | 0.389 | 60% | 0.599 | S | S | . | * | trans | 59.3 | 98.2 | 166.2 | -58.7 | -79.5 | 177.8 | 0 | 0 | 101.6 | F1826 M1829 | M1125-F1826 HydrophobicContact CB-CB 3.62Å; M1125-F1826 HydrophobicContact CB-CD1 2.3Å; M1125-F1826 HydrophobicContact CB-CD2 2.31Å; M1125-F1826 HydrophobicContact CB-CE1 2.31Å; M1125-F1826 HydrophobicContact CB-CE2 2.3Å; M1125-F1826 HydrophobicContact CB-CG 2.31Å; M1125-F1826 HydrophobicContact CB-CZ 2.31Å; M1125-F1826 HydrophobicContact CE-CE1 4.46Å; M1125-F1826 HydrophobicContact CG-CB 4.45Å; M1125-F1826 HydrophobicContact CG-CD1 2.79Å; M1125-F1826 HydrophobicContact CG-CD2 3.85Å; M1125-F1826 HydrophobicContact CG-CE1 2.71Å; M1125-F1826 HydrophobicContact CG-CE2 3.78Å; M1125-F1826 HydrophobicContact CG-CG 3.41Å; M1125-F1826 VanDerWaalsContact CG-CG 3.41Å; M1125-F1826 HydrophobicContact CG-CZ 3.25Å; M1125-F1826 VanDerWaalsContact N-CD2 3.34Å; M1125-F1826 WeakPolarHBondContact O-CD2 3.31Å; M1125-F1826 WeakPolarHBondContact O-CE2 3.41Å; M1125-F1826 HydrophobicContact SD-CD1 3.98Å; M1125-F1826 HydrophobicContact SD-CE1 3.1Å; M1125-F1826 WeakPolarHBondContact SD-CE1 3.32Å; M1125-F1826 HydrophobicContact SD-CE2 4.49Å; M1125-F1826 HydrophobicContact SD-CZ 3.42Å; M1125-F1826 WeakPolarHBondContact SD-CZ 3.47Å; M1125-M1829 HydrophobicContact CB-SD 4.15Å; M1125-M1829 HydrophobicContact CE-CE 4.13Å; M1125-M1829 HydrophobicContact CG-CE 3.74Å; M1125-M1829 HydrophobicContact CG-SD 3.7Å | ||
| 1126 | C | 23.9 | Very low | 26.7 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 76% | 0.757 | 61% | 0.607 | S | S | * | * | trans | -160.1 | 34.6 | 147.2 | -160 | 0 | 0 | 0 | 0 | 113 | F1826 | C1126-F1826 VanDerWaalsContact N-CE2 3.27Š| ||
| 1127 | F | 25.1 | Very low | 26.5 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 45% | 0.447 | 61% | 0.606 | S | S | . | * | trans | -144.2 | 132.7 | -178.7 | -89.8 | -75.2 | 0 | 0 | 0 | 112.9 | Y1181 H1182 | F1127-Y1181 AromaticContact CE2-CE1 3.97Å; F1127-Y1181 HydrophobicContact CE2-CE1 3.97Å; F1127-Y1181 AromaticContact CZ-CE1 3.64Å; F1127-Y1181 HydrophobicContact CZ-CE1 3.64Å; F1127-H1182 AromaticContact CD2-NE2 3.99Å; F1127-H1182 AromaticContact CE2-CE1 3.83Å; F1127-H1182 AromaticContact CE2-NE2 3.67Å | ||
| 1128 | P | 25.4 | Very low | 26.3 | Very low | 72 Ų | 72 | 114.6 Ų | 114.6 | 47% | 0.468 | 60% | 0.604 | S | S | . | * | trans | -119.9 | 127 | 147.6 | 34.1 | -23.3 | 0 | 0 | 0 | 110.9 | C345 | C345-P1128 PolarHBondContact SG-O 3.37Š| ||
| 1129 | Y | 27.9 | Very low | 26.2 | Very low | 122 Ų | 122 | 120 Ų | 120 | 48% | 0.478 | 62% | 0.623 | S | S | . | * | trans | 176.8 | 125 | 134.2 | -111.2 | -139.5 | 0 | 0 | 0 | 114 | V342 R343 D344 | V342-Y1129 HydrophobicContact CG1-CD1 4.47Å; V342-Y1129 HydrophobicContact CG1-CE1 3.44Å; V342-Y1129 VanDerWaalsContact CG1-CE1 3.44Å; V342-Y1129 HydrophobicContact CG1-CE2 4.45Å; V342-Y1129 VanDerWaalsContact CG1-CZ 3.4Å; V342-Y1129 WeakPolarHBondContact CG1-OH 3.04Å; R343-Y1129 VanDerWaalsContact CA-OH 3.29Å; R343-Y1129 WeakPolarHBondContact CA-OH 3.12Å; R343-Y1129 PolarHBondContact N-OH 3.02Å; D344-Y1129 HydrophobicContact CB-CD2 4.03Å; D344-Y1129 HydrophobicContact CB-CE1 4.24Å; D344-Y1129 HydrophobicContact CB-CE2 3.21Å; D344-Y1129 VanDerWaalsContact CB-OH 3.26Å; D344-Y1129 WeakPolarHBondContact CB-OH 2.99Å; D344-Y1129 PolarHBondContact N-OH 2.99Å; D344-Y1129 VanDerWaalsContact N-OH 3.14Å | ||
| 1130 | H | 24.9 | Very low | 26 | Very low | 164 Ų | 164 | 120.4 Ų | 120.4 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | trans | -72.8 | 152.3 | 150.7 | -87.7 | -82.2 | 0 | 0 | 0 | 109.6 | ||||
| 1131 | Y | 25 | Very low | 25.8 | Very low | 160 Ų | 160 | 118.5 Ų | 118.5 | 63% | 0.627 | 64% | 0.64 | S | S | * | * | -175.5 | 150.4 | 99.5 | -113.8 | -82.4 | 0 | 0 | 0 | 114.6 | V342 | V342-Y1131 HydrophobicContact CG1-CD2 4.5Å; V342-Y1131 HydrophobicContact CG2-CE2 4.33Å | |||
| 1132 | Q | 24.7 | Very low | 25.5 | Very low | 141 Ų | 141 | 120.5 Ų | 120.5 | 66% | 0.659 | 65% | 0.651 | S | S | * | * | trans | 66 | 106.4 | 153.9 | -108 | 167.6 | -28.4 | 0 | 0 | 120.2 | Q1134 | Q1132-Q1134 HydrophobicContact CG-CG 4.34Š| ||
| 1133 | L | 24.5 | Very low | 25.1 | Very low | 180 Ų | 180 | 129.2 Ų | 129.2 | 94% | 0.942 | 69% | 0.689 | S | S | * | * | -128.6 | 151.5 | 119.2 | -107.7 | 168.8 | 0 | 0 | 0 | 108.4 | |||||
| 1134 | Q | 23.5 | Very low | 25.1 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -116.2 | 120.4 | -175.5 | -71 | 172.9 | -97.7 | 0 | 0 | 111.3 | Q1132 | Q1132-Q1134 HydrophobicContact CG-CG 4.34Š| ||
| 1135 | S | 24.9 | Very low | 25 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -167.4 | 118.3 | 158.2 | 52.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1136 | T | 23.7 | Very low | 25 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | 47.2 | 107.3 | 76.4 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1137 | D | 24.9 | Very low | 25.1 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | cis | -148.7 | -170.2 | 41.5 | -83.1 | -45.3 | 0 | 0 | 0 | 115.7 | ||||
| 1138 | T | 25.2 | Very low | 25 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | trans | -81.7 | 164.8 | -168.7 | 49.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1139 | H | 26.6 | Very low | 25 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | trans | 106.8 | 147.8 | 155.8 | -76.8 | -78.2 | 0 | 0 | 0 | 119.9 | ||||
| 1140 | C | 24.7 | Very low | 24.9 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | 67.6 | 87.4 | 170.8 | -68.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1141 | G | 24.7 | Very low | 24.9 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -90.3 | -162.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1142 | D | 25.4 | Very low | 25.1 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 58.6 | 73.8 | 168.1 | -67.2 | -7.6 | 0 | 0 | 0 | 118.2 | ||||
| 1143 | F | 23.4 | Very low | 25.3 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | trans | -141.8 | 152.2 | 146.4 | -118.9 | -89.4 | 0 | 0 | 0 | 111.4 | ||||
| 1144 | F | 25.9 | Very low | 25.4 | Very low | 168 Ų | 168 | 134 Ų | 134 | 74% | 0.737 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 70 | 37.4 | 179.2 | -62.4 | -73.1 | 0 | 0 | 0 | 119.2 | L1147 | F1144-L1147 HydrophobicContact CD1-CD1 4.41Å; F1144-L1147 HydrophobicContact CE1-CD1 4.12Å |
| 1145 | S | 24.6 | Very low | 25.4 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -113.3 | 53.4 | 148.1 | 70.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1146 | R | 26.2 | Very low | 25.5 | Very low | 239 Ų | 239 | 134.8 Ų | 134.8 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -169 | 73.6 | 177.5 | -106.4 | 171.1 | -148.6 | -147.4 | 5.2 | 112.9 | ||||
| 1147 | L | 25.2 | Very low | 25.6 | Very low | 144 Ų | 144 | 139 Ų | 139 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -147.1 | 147.1 | 159.7 | -88.9 | 178.8 | 0 | 0 | 0 | 109.5 | F1144 | F1144-L1147 HydrophobicContact CD1-CD1 4.41Å; F1144-L1147 HydrophobicContact CE1-CD1 4.12Å | ||
| 1148 | P | 24.4 | Very low | 25.6 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 53% | 0.526 | 75% | 0.75 | S | S | . | * | trans | -85.1 | 154.6 | -169.6 | 33.6 | -35.9 | 0 | 0 | 0 | 114.2 | S1150 | P1148-S1150 PolarHBondContact O-N 3.32Š| ||
| 1149 | P | 24.4 | Very low | 25.7 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 75.1 | -179.3 | 34 | -36.4 | 0 | 0 | 0 | 112.5 | ||
| 1150 | S | 25.5 | Very low | 25.7 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.8 | 8.4 | 175.9 | 60.2 | 0 | 0 | 0 | 0 | 116.4 | P1148 | P1148-S1150 PolarHBondContact O-N 3.32Š|
| 1151 | S | 26.5 | Very low | 25.8 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -132.5 | 69.8 | -177.6 | 44.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1152 | L | 28.8 | Very low | 26 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -67.5 | 163.7 | 175.3 | -152.3 | 75.9 | 0 | 0 | 0 | 112.5 | S1154 | L1152-S1154 PolarHBondContact O-N 3.15Å; L1152-S1154 VanDerWaalsContact O-N 3.13Å | ||
| 1153 | S | 27.6 | Very low | 26.3 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 75.6 | -20.3 | 151.4 | 78.4 | 0 | 0 | 0 | 0 | 122 | ||
| 1154 | S | 26.4 | Very low | 26.5 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -97.8 | -18.9 | -169.2 | -145.8 | 0 | 0 | 0 | 0 | 117 | L1152 M1156 | L1152-S1154 PolarHBondContact O-N 3.15Å; L1152-S1154 VanDerWaalsContact O-N 3.13Å; S1154-M1156 VanDerWaalsContact C-N 3.32Å; S1154-M1156 PolarHBondContact O-N 3.49Å |
| 1155 | A | 23.7 | Very low | 26.6 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -83.2 | -3.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1157 | A1155-R1157 PolarHBondContact O-N 2.87Š|
| 1156 | M | 27.7 | Very low | 26.7 | Very low | 175 Ų | 175 | 126.6 Ų | 126.6 | 86% | 0.862 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 14.6 | -162.6 | -150 | 176.4 | -169.9 | 0 | 0 | 115 | S1154 | S1154-M1156 VanDerWaalsContact C-N 3.32Å; S1154-M1156 PolarHBondContact O-N 3.49Å |
| 1157 | R | 25.2 | Very low | 26.8 | Very low | 205 Ų | 205 | 121.3 Ų | 121.3 | 77% | 0.774 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 4.1 | -169.6 | -60.7 | -168.4 | -170.1 | -176.8 | 5.8 | 116.5 | A1155 | A1155-R1157 PolarHBondContact O-N 2.87Š|
| 1158 | T | 26.5 | Very low | 27 | Very low | 36 Ų | 36 | 121.7 Ų | 121.7 | 22% | 0.221 | 71% | 0.711 | C | S | . | * | S | Bend | trans | -138.4 | 14.6 | -156.2 | -16.4 | 0 | 0 | 0 | 0 | 116.8 | T383 I385 | T383-T1158 HydrophobicContact CG2-CG2 4.15Å; I385-T1158 HydrophobicContact CB-CG2 4.35Å; I385-T1158 HydrophobicContact CG2-CG2 3.87Å |
| 1159 | I | 26.2 | Very low | 27.2 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 80% | 0.795 | 71% | 0.709 | S | S | * | * | trans | -124.7 | 79.2 | 162.2 | -57.2 | -179.6 | 0 | 0 | 0 | 107.2 | ||||
| 1160 | K | 27.7 | Very low | 27.4 | Very low | 205 Ų | 205 | 122.4 Ų | 122.4 | 89% | 0.891 | 70% | 0.695 | S | S | * | * | trans | -148.2 | 26.5 | -179.4 | -143.7 | 176.9 | -175.4 | -178.7 | 0 | 113.3 | ||||
| 1161 | A | 26.5 | Very low | 27.6 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 63% | 0.628 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -152.5 | 152.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1162 | T | 27.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 49 | 70.8 | 168.1 | 52.6 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1163 | T | 32 | Very low | 27.9 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | trans | 170.3 | 47.7 | 153 | 25 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1164 | T | 27.7 | Very low | 27.9 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | 43.9 | 107.4 | 80.8 | 62.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1165 | T | 27.8 | Very low | 28.1 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 71% | 0.712 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 62.5 | 63.9 | 148.5 | 61 | 0 | 0 | 0 | 0 | 119.2 | ||
| 1166 | A | 27.1 | Very low | 28.5 | Very low | 63 Ų | 63 | 121.7 Ų | 121.7 | 52% | 0.521 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -146.7 | -96.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q1168 H1169 | A1166-Q1168 PolarHBondContact O-N 2.04Å; A1166-H1169 WeakPolarHBondContact O-CB 3.43Å; A1166-H1169 PolarHBondContact O-N 3.2Å |
| 1167 | D | 28.2 | Very low | 28.8 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -22.5 | -161 | -48.6 | -55.8 | 0 | 0 | 0 | 114.9 | H1169 Q1170 | D1167-H1169 PolarHBondContact O-N 2.88Å; D1167-Q1170 PolarHBondContact O-N 3.02Å |
| 1168 | Q | 28.8 | Very low | 29.1 | Very low | 153 Ų | 153 | 112.3 Ų | 112.3 | 72% | 0.715 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.6 | -20.5 | 169 | -71.4 | -175.4 | -13.4 | 0 | 0 | 112.2 | A1166 Q1170 Q1172 | A1166-Q1168 PolarHBondContact O-N 2.04Å; Q1168-Q1170 VanDerWaalsContact C-N 3.28Å; Q1168-Q1170 PolarHBondContact O-N 3.29Å; Q1168-Q1172 WeakPolarHBondContact O-CB 3.28Å; Q1168-Q1172 PolarHBondContact O-N 3.33Å; Q1168-Q1172 VanDerWaalsContact O-N 3.16Å |
| 1169 | H | 29.6 | Very low | 29.5 | Very low | 102 Ų | 102 | 115.9 Ų | 115.9 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -82.4 | 9.8 | 168.6 | -79.7 | -63.9 | 0 | 0 | 0 | 114.4 | A1166 D1167 N1173 | A1166-H1169 WeakPolarHBondContact O-CB 3.43Å; A1166-H1169 PolarHBondContact O-N 3.2Å; D1167-H1169 PolarHBondContact O-N 2.88Å; H1169-N1173 VanDerWaalsContact O-CB 3.23Å; H1169-N1173 WeakPolarHBondContact O-CB 3.33Å; H1169-N1173 VanDerWaalsContact O-CG 3.24Å; H1169-N1173 PolarHBondContact O-ND2 3.44Å |
| 1170 | Q | 28.5 | Very low | 29.9 | Very low | 133 Ų | 133 | 113.6 Ų | 113.6 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -94.8 | -71.7 | 159.9 | -80.7 | -178.3 | -43.9 | 0 | 0 | 110.4 | D1167 Q1168 Q1172 N1173 E1174 | D1167-Q1170 PolarHBondContact O-N 3.02Å; Q1168-Q1170 VanDerWaalsContact C-N 3.28Å; Q1168-Q1170 PolarHBondContact O-N 3.29Å; Q1170-Q1172 VanDerWaalsContact C-N 3.31Å; Q1170-Q1172 PolarHBondContact O-N 3.45Å; Q1170-N1173 CarbonylContact O-C 3.41Å; Q1170-N1173 WeakPolarHBondContact O-CA 3.25Å; Q1170-N1173 PolarHBondContact O-N 3.18Å; Q1170-E1174 WeakPolarHBondContact O-CG 3.3Å; Q1170-E1174 PolarHBondContact O-N 3.46Å |
| 1171 | H | 30.3 | Very low | 30.2 | Very low | 142 Ų | 142 | 107.2 Ų | 107.2 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.1 | -36.9 | -177.3 | -99.3 | -7.1 | 0 | 0 | 0 | 114.5 | E1174 L1175 | H1171-E1174 IonicContact CE1-OE2 3.57Å; H1171-E1174 IonicContact CG-OE2 3.82Å; H1171-E1174 IonicContact ND1-OE2 2.74Å; H1171-E1174 PolarHBondContact ND1-OE2 2.91Å; H1171-E1174 PolarHBondContact O-N 3.36Å; H1171-L1175 PolarHBondContact O-N 3.34Å |
| 1172 | Q | 30.1 | Very low | 30.5 | Very low | 120 Ų | 120 | 106.2 Ų | 106.2 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.2 | -23.8 | 176.9 | -151.2 | 165.9 | 19.7 | 0 | 0 | 112.3 | Q1168 Q1170 N1176 | Q1168-Q1172 WeakPolarHBondContact O-CB 3.28Å; Q1168-Q1172 PolarHBondContact O-N 3.33Å; Q1168-Q1172 VanDerWaalsContact O-N 3.16Å; Q1170-Q1172 VanDerWaalsContact C-N 3.31Å; Q1170-Q1172 PolarHBondContact O-N 3.45Å; Q1172-N1176 WeakPolarHBondContact O-CB 3.16Å; Q1172-N1176 PolarHBondContact O-N 3.06Å; Q1172-N1176 PolarHBondContact O-ND2 3.25Å |
| 1173 | N | 30.2 | Very low | 31.2 | Very low | 69 Ų | 69 | 106.8 Ų | 106.8 | 37% | 0.369 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -78.3 | -21.3 | 165.7 | -79.1 | -17 | 0 | 0 | 0 | 112.7 | H1169 Q1170 N1177 | H1169-N1173 VanDerWaalsContact O-CB 3.23Å; H1169-N1173 WeakPolarHBondContact O-CB 3.33Å; H1169-N1173 VanDerWaalsContact O-CG 3.24Å; H1169-N1173 PolarHBondContact O-ND2 3.44Å; Q1170-N1173 CarbonylContact O-C 3.41Å; Q1170-N1173 WeakPolarHBondContact O-CA 3.25Å; Q1170-N1173 PolarHBondContact O-N 3.18Å; N1173-N1177 WeakPolarHBondContact O-CA 3.09Å; N1173-N1177 WeakPolarHBondContact O-CB 3.17Å; N1173-N1177 PolarHBondContact O-N 2.8Å; N1173-N1177 PolarHBondContact O-ND2 3.31Å |
| 1174 | E | 28.3 | Very low | 31.5 | Very low | 104 Ų | 104 | 102.1 Ų | 102.1 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.1 | -46 | 174.1 | -73.2 | 172.5 | 150.4 | 0 | 0 | 111.4 | Q1170 H1171 N1177 V1178 | Q1170-E1174 WeakPolarHBondContact O-CG 3.3Å; Q1170-E1174 PolarHBondContact O-N 3.46Å; H1171-E1174 IonicContact CE1-OE2 3.57Å; H1171-E1174 IonicContact CG-OE2 3.82Å; H1171-E1174 IonicContact ND1-OE2 2.74Å; H1171-E1174 PolarHBondContact ND1-OE2 2.91Å; H1171-E1174 PolarHBondContact O-N 3.36Å; E1174-N1177 WeakPolarHBondContact O-CA 3.22Å; E1174-N1177 WeakPolarHBondContact O-CB 3.32Å; E1174-N1177 PolarHBondContact O-N 3.38Å; E1174-V1178 PolarHBondContact O-N 3.46Å |
| 1175 | L | 30.7 | Very low | 32.1 | Very low | 128 Ų | 128 | 99.5 Ų | 99.5 | 67% | 0.67 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.2 | -48.1 | 169.8 | -83 | 152.2 | 0 | 0 | 0 | 111.2 | H1171 N1177 V1178 D1179 | H1171-L1175 PolarHBondContact O-N 3.34Å; L1175-N1177 PolarHBondContact O-N 3.01Å; L1175-V1178 PolarHBondContact O-N 3.23Å; L1175-D1179 PolarHBondContact O-N 3.06Å |
| 1176 | N | 32.6 | Very low | 32.9 | Very low | 91 Ų | 91 | 99.1 Ų | 99.1 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -28 | 171 | -73.4 | -27.5 | 0 | 0 | 0 | 112.2 | Q1172 Y1180 | Q1172-N1176 WeakPolarHBondContact O-CB 3.16Å; Q1172-N1176 PolarHBondContact O-N 3.06Å; Q1172-N1176 PolarHBondContact O-ND2 3.25Å; N1176-Y1180 WeakPolarHBondContact O-CA 3.22Å; N1176-Y1180 WeakPolarHBondContact O-CB 3.16Å; N1176-Y1180 PolarHBondContact O-N 3.42Å |
| 1177 | N | 32.4 | Very low | 33.9 | Very low | 95 Ų | 95 | 98.5 Ų | 98.5 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73 | -31.8 | 177.1 | -90.3 | -33.5 | 0 | 0 | 0 | 112 | N1173 E1174 L1175 Y1181 | N1173-N1177 WeakPolarHBondContact O-CA 3.09Å; N1173-N1177 WeakPolarHBondContact O-CB 3.17Å; N1173-N1177 PolarHBondContact O-N 2.8Å; N1173-N1177 PolarHBondContact O-ND2 3.31Å; E1174-N1177 WeakPolarHBondContact O-CA 3.22Å; E1174-N1177 WeakPolarHBondContact O-CB 3.32Å; E1174-N1177 PolarHBondContact O-N 3.38Å; L1175-N1177 PolarHBondContact O-N 3.01Å; N1177-Y1181 WeakPolarHBondContact O-CA 3.21Å; N1177-Y1181 WeakPolarHBondContact O-CB 3.19Å; N1177-Y1181 PolarHBondContact O-N 2.89Å |
| 1178 | V | 32.1 | Very low | 34.7 | Very low | 87 Ų | 87 | 93.3 Ų | 93.3 | 53% | 0.527 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | E1174 L1175 Y1181 H1182 | E1174-V1178 PolarHBondContact O-N 3.46Å; L1175-V1178 PolarHBondContact O-N 3.23Å; V1178-Y1181 PolarHBondContact O-N 2.68Å; V1178-H1182 PolarHBondContact O-N 2.93Å |
| 1179 | D | 33.9 | Very low | 35.5 | Very low | 112 Ų | 112 | 90.1 Ų | 90.1 | 60% | 0.599 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 173.9 | -85.9 | -27.8 | 0 | 0 | 0 | 111.9 | L1175 Y1181 H1182 Y1183 | L1175-D1179 PolarHBondContact O-N 3.06Å; D1179-Y1181 VanDerWaalsContact C-N 3.29Å; D1179-Y1181 PolarHBondContact O-N 2.88Å; D1179-H1182 PolarHBondContact O-N 2.89Å; D1179-Y1183 WeakPolarHBondContact O-CA 3.02Å; D1179-Y1183 WeakPolarHBondContact O-CB 3.1Å; D1179-Y1183 PolarHBondContact O-N 2.97Å |
| 1180 | Y | 35.4 | Very low | 36.5 | Very low | 107 Ų | 107 | 91.5 Ų | 91.5 | 42% | 0.42 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 174.3 | -176 | -85.3 | 0 | 0 | 0 | 111.5 | N1176 T1184 D1237 | N1176-Y1180 WeakPolarHBondContact O-CA 3.22Å; N1176-Y1180 WeakPolarHBondContact O-CB 3.16Å; N1176-Y1180 PolarHBondContact O-N 3.42Å; Y1180-T1184 WeakPolarHBondContact CD1-OG1 3.2Å; Y1180-T1184 WeakPolarHBondContact CE1-OG1 3.35Å; Y1180-T1184 WeakPolarHBondContact O-CA 3.47Å; Y1180-T1184 WeakPolarHBondContact O-CB 3.06Å; Y1180-T1184 PolarHBondContact O-N 3.36Å; Y1180-T1184 PolarHBondContact O-OG1 2.93Å; Y1180-D1237 VanDerWaalsContact CE1-OD2 3.29Å; Y1180-D1237 WeakPolarHBondContact CE1-OD2 3.44Å; Y1180-D1237 VanDerWaalsContact CZ-OD2 3.31Å; Y1180-D1237 PolarHBondContact OH-OD2 3.4Å |
| 1181 | Y | 33.5 | Very low | 37.5 | Very low | 70 Ų | 70 | 85.6 Ų | 85.6 | 28% | 0.275 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.4 | -42.6 | 176.6 | 173.2 | -83 | 0 | 0 | 0 | 111.5 | L348 F1127 N1177 V1178 D1179 T1184 Q1185 | L348-Y1181 HydrophobicContact CB-CE2 4.22Å; L348-Y1181 WeakPolarHBondContact CB-OH 3.43Å; L348-Y1181 WeakPolarHBondContact CD1-OH 3.49Å; L348-Y1181 HydrophobicContact CD2-CE2 3.84Å; L348-Y1181 HydrophobicContact CG-CE2 4.48Å; F1127-Y1181 AromaticContact CE2-CE1 3.97Å; F1127-Y1181 HydrophobicContact CE2-CE1 3.97Å; F1127-Y1181 AromaticContact CZ-CE1 3.64Å; F1127-Y1181 HydrophobicContact CZ-CE1 3.64Å; N1177-Y1181 WeakPolarHBondContact O-CA 3.21Å; N1177-Y1181 WeakPolarHBondContact O-CB 3.19Å; N1177-Y1181 PolarHBondContact O-N 2.89Å; V1178-Y1181 PolarHBondContact O-N 2.68Å; D1179-Y1181 VanDerWaalsContact C-N 3.29Å; D1179-Y1181 PolarHBondContact O-N 2.88Å; Y1181-T1184 CarbonylContact O-C 3.56Å; Y1181-T1184 PolarHBondContact O-N 3.37Å; Y1181-Q1185 HydrophobicContact CD1-CG 4.37Å; Y1181-Q1185 HydrophobicContact CE1-CG 4.26Å; Y1181-Q1185 WeakPolarHBondContact O-CB 3.06Å; Y1181-Q1185 WeakPolarHBondContact O-CG 3.42Å; Y1181-Q1185 PolarHBondContact O-N 3.37Å |
| 1182 | H | 34.5 | Very low | 38.5 | Very low | 55 Ų | 55 | 79.4 Ų | 79.4 | 26% | 0.255 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 171.8 | -91.3 | -64.5 | 0 | 0 | 0 | 111.6 | F1127 V1178 D1179 T1184 Q1185 Y1186 | F1127-H1182 AromaticContact CD2-NE2 3.99Å; F1127-H1182 AromaticContact CE2-CE1 3.83Å; F1127-H1182 AromaticContact CE2-NE2 3.67Å; V1178-H1182 PolarHBondContact O-N 2.93Å; D1179-H1182 PolarHBondContact O-N 2.89Å; H1182-T1184 VanDerWaalsContact C-N 3.34Å; H1182-Q1185 PolarHBondContact O-N 3.08Å; H1182-Y1186 WeakPolarHBondContact O-CB 3.31Å; H1182-Y1186 PolarHBondContact O-N 3.01Å |
| 1183 | Y | 41.1 | Very low | 39.5 | Very low | 135 Ų | 135 | 78.2 Ų | 78.2 | 53% | 0.529 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 170.3 | 178.2 | -114 | 0 | 0 | 0 | 111.2 | D1179 Y1186 K1187 | D1179-Y1183 WeakPolarHBondContact O-CA 3.02Å; D1179-Y1183 WeakPolarHBondContact O-CB 3.1Å; D1179-Y1183 PolarHBondContact O-N 2.97Å; Y1183-Y1186 PolarHBondContact O-N 3.29Å; Y1183-K1187 HydrophobicContact CD1-CD 4.34Å; Y1183-K1187 HydrophobicContact CE1-CD 3.92Å; Y1183-K1187 WeakPolarHBondContact O-CA 3.29Å; Y1183-K1187 WeakPolarHBondContact O-CB 3.3Å; Y1183-K1187 PolarHBondContact O-N 2.93Å |
| 1184 | T | 39.5 | Very low | 40.5 | Very low | 25 Ų | 25 | 79.7 Ų | 79.7 | 15% | 0.153 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -74 | -33.5 | 179.1 | -67.4 | 0 | 0 | 0 | 0 | 112 | Y1180 Y1181 H1182 A1188 D1237 | Y1180-T1184 WeakPolarHBondContact CD1-OG1 3.2Å; Y1180-T1184 WeakPolarHBondContact CE1-OG1 3.35Å; Y1180-T1184 WeakPolarHBondContact O-CA 3.47Å; Y1180-T1184 WeakPolarHBondContact O-CB 3.06Å; Y1180-T1184 PolarHBondContact O-N 3.36Å; Y1180-T1184 PolarHBondContact O-OG1 2.93Å; Y1181-T1184 CarbonylContact O-C 3.56Å; Y1181-T1184 PolarHBondContact O-N 3.37Å; H1182-T1184 VanDerWaalsContact C-N 3.34Å; T1184-A1188 WeakPolarHBondContact O-CA 3.29Å; T1184-A1188 WeakPolarHBondContact O-CB 3.14Å; T1184-A1188 PolarHBondContact O-N 3.25Å; T1184-D1237 HydrophobicContact CG2-CB 4.34Å |
| 1185 | Q | 40.4 | Very low | 41.7 | Very low | 55 Ų | 55 | 74.8 Ų | 74.8 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 167.3 | -81.5 | -162.1 | -38 | 0 | 0 | 111.5 | Y1181 H1182 A1188 N1189 | Y1181-Q1185 HydrophobicContact CD1-CG 4.37Å; Y1181-Q1185 HydrophobicContact CE1-CG 4.26Å; Y1181-Q1185 WeakPolarHBondContact O-CB 3.06Å; Y1181-Q1185 WeakPolarHBondContact O-CG 3.42Å; Y1181-Q1185 PolarHBondContact O-N 3.37Å; H1182-Q1185 PolarHBondContact O-N 3.08Å; Q1185-A1188 PolarHBondContact O-N 3.01Å; Q1185-N1189 VanDerWaalsContact O-CB 3.27Å; Q1185-N1189 WeakPolarHBondContact O-CB 3.46Å; Q1185-N1189 PolarHBondContact O-N 3.28Å; Q1185-N1189 PolarHBondContact O-ND2 2.93Å |
| 1186 | Y | 44.3 | Very low | 42.7 | Very low | 109 Ų | 109 | 71.6 Ų | 71.6 | 43% | 0.427 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 178.2 | 167.8 | -109.7 | 0 | 0 | 0 | 111.2 | H1182 Y1183 N1189 R1190 | H1182-Y1186 WeakPolarHBondContact O-CB 3.31Å; H1182-Y1186 PolarHBondContact O-N 3.01Å; Y1183-Y1186 PolarHBondContact O-N 3.29Å; Y1186-N1189 PolarHBondContact O-N 2.96Å; Y1186-R1190 WeakPolarHBondContact O-CB 3.33Å; Y1186-R1190 PolarHBondContact O-N 3.16Å; Y1186-R1190 PolarHBondContact OH-NH1 2.91Å |
| 1187 | K | 46.9 | Very low | 43.5 | Very low | 50 Ų | 50 | 69.6 Ų | 69.6 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 172.5 | -179.5 | -179.3 | 170.5 | -137.6 | 0 | 110.1 | Y1183 R1190 I1191 R1235 D1237 | Y1183-K1187 HydrophobicContact CD1-CD 4.34Å; Y1183-K1187 HydrophobicContact CE1-CD 3.92Å; Y1183-K1187 WeakPolarHBondContact O-CA 3.29Å; Y1183-K1187 WeakPolarHBondContact O-CB 3.3Å; Y1183-K1187 PolarHBondContact O-N 2.93Å; K1187-R1190 PolarHBondContact O-N 3.14Å; K1187-I1191 HydrophobicContact CG-CD1 3.61Å; K1187-I1191 WeakPolarHBondContact O-CB 3.4Å; K1187-I1191 WeakPolarHBondContact O-CD1 3.48Å; K1187-I1191 WeakPolarHBondContact O-CG1 3.47Å; K1187-I1191 PolarHBondContact O-N 2.8Å; K1187-R1235 WeakPolarHBondContact CE-O 3.47Å; K1187-R1235 PolarHBondContact NZ-O 2.89Å; K1187-D1237 IonicContact NZ-OD1 2.69Å; K1187-D1237 PolarHBondContact NZ-OD1 2.86Å |
| 1188 | A | 44.7 | Very low | 44.4 | Very low | 17 Ų | 17 | 65.4 Ų | 65.4 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1184 Q1185 A1192 L1240 | T1184-A1188 WeakPolarHBondContact O-CA 3.29Å; T1184-A1188 WeakPolarHBondContact O-CB 3.14Å; T1184-A1188 PolarHBondContact O-N 3.25Å; Q1185-A1188 PolarHBondContact O-N 3.01Å; A1188-A1192 WeakPolarHBondContact O-CA 3.25Å; A1188-A1192 WeakPolarHBondContact O-CB 3.35Å; A1188-A1192 PolarHBondContact O-N 2.87Å; A1188-L1240 HydrophobicContact CB-CD2 3.41Å; A1188-L1240 VanDerWaalsContact CB-CD2 3.41Å |
| 1189 | N | 45.6 | Very low | 45.3 | Very low | 86 Ų | 86 | 61.5 Ų | 61.5 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 177 | -80.6 | -56.3 | 0 | 0 | 0 | 111.8 | Q1185 Y1186 R1193 | Q1185-N1189 VanDerWaalsContact O-CB 3.27Å; Q1185-N1189 WeakPolarHBondContact O-CB 3.46Å; Q1185-N1189 PolarHBondContact O-N 3.28Å; Q1185-N1189 PolarHBondContact O-ND2 2.93Å; Y1186-N1189 PolarHBondContact O-N 2.96Å; N1189-R1193 WeakPolarHBondContact O-CB 3.36Å; N1189-R1193 PolarHBondContact O-N 2.77Å |
| 1190 | R | 50.7 | Low | 46 | Very low | 131 Ų | 131 | 56.5 Ų | 56.5 | 49% | 0.494 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.1 | -40.1 | 175.8 | -177.3 | 175.1 | 176.6 | 116.2 | -3.5 | 111.5 | Y1186 K1187 R1194 | Y1186-R1190 WeakPolarHBondContact O-CB 3.33Å; Y1186-R1190 PolarHBondContact O-N 3.16Å; Y1186-R1190 PolarHBondContact OH-NH1 2.91Å; K1187-R1190 PolarHBondContact O-N 3.14Å; R1190-R1194 WeakPolarHBondContact O-CG 3.29Å; R1190-R1194 PolarHBondContact O-N 3.44Å |
| 1191 | I | 51 | Low | 46.6 | Very low | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.046 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.2 | -45.7 | 176.1 | -66.6 | 162.9 | 0 | 0 | 0 | 110.5 | K1187 R1193 R1194 V1195 E1232 R1235 L1236 | K1187-I1191 HydrophobicContact CG-CD1 3.61Å; K1187-I1191 WeakPolarHBondContact O-CB 3.4Å; K1187-I1191 WeakPolarHBondContact O-CD1 3.48Å; K1187-I1191 WeakPolarHBondContact O-CG1 3.47Å; K1187-I1191 PolarHBondContact O-N 2.8Å; I1191-R1193 VanDerWaalsContact C-N 3.27Å; I1191-R1193 PolarHBondContact O-N 2.86Å; I1191-R1194 CarbonylContact O-C 3.44Å; I1191-R1194 WeakPolarHBondContact O-CA 3.25Å; I1191-R1194 WeakPolarHBondContact O-CB 3.33Å; I1191-R1194 PolarHBondContact O-N 2.88Å; I1191-V1195 HydrophobicContact CG2-CG2 3.86Å; I1191-V1195 WeakPolarHBondContact O-CB 3.45Å; I1191-V1195 WeakPolarHBondContact O-CG2 3.39Å; I1191-V1195 PolarHBondContact O-N 2.94Å; I1191-E1232 HydrophobicContact CG2-CB 4.17Å; I1191-E1232 WeakPolarHBondContact CG2-O 3.22Å; I1191-R1235 VanDerWaalsContact CD1-C 3.46Å; I1191-R1235 HydrophobicContact CD1-CB 3.5Å; I1191-R1235 VanDerWaalsContact CD1-CB 3.5Å; I1191-R1235 VanDerWaalsContact CD1-O 3.27Å; I1191-R1235 WeakPolarHBondContact CD1-O 3.28Å; I1191-R1235 HydrophobicContact CG1-CB 4.25Å; I1191-L1236 HydrophobicContact CB-CD2 3.68Å; I1191-L1236 HydrophobicContact CB-CG 4.42Å; I1191-L1236 HydrophobicContact CD1-CD2 4.04Å; I1191-L1236 HydrophobicContact CG2-CD1 4.37Å; I1191-L1236 HydrophobicContact CG2-CD2 3.44Å; I1191-L1236 VanDerWaalsContact CG2-CD2 3.44Å; I1191-L1236 HydrophobicContact CG2-CG 3.67Å |
| 1192 | A | 50.1 | Low | 47.2 | Very low | 12 Ų | 12 | 56.1 Ų | 56.1 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1188 R1194 V1195 F1196 F1244 | A1188-A1192 WeakPolarHBondContact O-CA 3.25Å; A1188-A1192 WeakPolarHBondContact O-CB 3.35Å; A1188-A1192 PolarHBondContact O-N 2.87Å; A1192-R1194 VanDerWaalsContact C-N 3.31Å; A1192-R1194 PolarHBondContact O-N 3.15Å; A1192-V1195 PolarHBondContact O-N 3.39Å; A1192-F1196 HydrophobicContact CB-CD2 4.32Å; A1192-F1196 HydrophobicContact CB-CE2 4.28Å; A1192-F1196 VanDerWaalsContact O-CB 3.23Å; A1192-F1196 WeakPolarHBondContact O-CB 3.32Å; A1192-F1196 WeakPolarHBondContact O-CD2 3.34Å; A1192-F1196 WeakPolarHBondContact O-CG 3.28Å; A1192-F1196 PolarHBondContact O-N 3.16Å; A1192-F1244 HydrophobicContact CB-CE2 4.47Å; A1192-F1244 HydrophobicContact CB-CZ 3.92Å |
| 1193 | R | 51.2 | Low | 47.8 | Very low | 96 Ų | 96 | 54.5 Ų | 54.5 | 36% | 0.362 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.1 | -35.5 | 172.5 | -176.1 | 170 | 172.2 | 178.7 | -5.1 | 112.5 | L1113 N1189 I1191 L1197 | L1113-R1193 PolarHBondContact O-NH1 2.79Å; N1189-R1193 WeakPolarHBondContact O-CB 3.36Å; N1189-R1193 PolarHBondContact O-N 2.77Å; I1191-R1193 VanDerWaalsContact C-N 3.27Å; I1191-R1193 PolarHBondContact O-N 2.86Å; R1193-L1197 HydrophobicContact CG-CD1 4.31Å; R1193-L1197 VanDerWaalsContact O-CB 3.24Å; R1193-L1197 WeakPolarHBondContact O-CB 3.43Å; R1193-L1197 WeakPolarHBondContact O-CD1 3.33Å; R1193-L1197 WeakPolarHBondContact O-CG 3.47Å; R1193-L1197 PolarHBondContact O-N 3.27Å |
| 1194 | R | 51.6 | Low | 47.9 | Very low | 100 Ų | 100 | 52.8 Ų | 52.8 | 38% | 0.377 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.8 | -47 | 172.4 | -80 | 172.9 | 160.9 | -147.5 | 5.4 | 112.9 | R1190 I1191 A1192 F1196 L1197 T1198 E1232 R1235 | R1190-R1194 WeakPolarHBondContact O-CG 3.29Å; R1190-R1194 PolarHBondContact O-N 3.44Å; I1191-R1194 CarbonylContact O-C 3.44Å; I1191-R1194 WeakPolarHBondContact O-CA 3.25Å; I1191-R1194 WeakPolarHBondContact O-CB 3.33Å; I1191-R1194 PolarHBondContact O-N 2.88Å; A1192-R1194 VanDerWaalsContact C-N 3.31Å; A1192-R1194 PolarHBondContact O-N 3.15Å; R1194-F1196 VanDerWaalsContact C-N 3.33Å; R1194-F1196 PolarHBondContact O-N 3.22Å; R1194-L1197 CarbonylContact O-C 3.53Å; R1194-L1197 WeakPolarHBondContact O-CB 3.43Å; R1194-L1197 PolarHBondContact O-N 2.94Å; R1194-L1197 VanDerWaalsContact O-N 3.14Å; R1194-T1198 VanDerWaalsContact O-CB 3.29Å; R1194-T1198 WeakPolarHBondContact O-CB 3.4Å; R1194-T1198 PolarHBondContact O-N 3.25Å; R1194-T1198 PolarHBondContact O-OG1 2.8Å; R1194-E1232 HydrophobicContact CB-CG 4.27Å; R1194-E1232 WeakPolarHBondContact CD-OE1 3.3Å; R1194-E1232 IonicContact CZ-OE1 3.93Å; R1194-E1232 IonicContact NE-OE1 3.53Å; R1194-E1232 IonicContact NH1-OE1 3.53Å; R1194-E1232 PolarHBondContact NH1-OE1 3.12Å; R1194-E1232 IonicContact NH1-OE2 3.53Å; R1194-R1235 VanDerWaalsContact NH1-NH1 3.15Å |
| 1195 | V | 53 | Low | 48.1 | Very low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | I1191 A1192 T1198 A1199 E1232 I1233 F1244 L1248 | I1191-V1195 HydrophobicContact CG2-CG2 3.86Å; I1191-V1195 WeakPolarHBondContact O-CB 3.45Å; I1191-V1195 WeakPolarHBondContact O-CG2 3.39Å; I1191-V1195 PolarHBondContact O-N 2.94Å; A1192-V1195 PolarHBondContact O-N 3.39Å; V1195-T1198 PolarHBondContact O-N 3.17Å; V1195-A1199 WeakPolarHBondContact O-CB 3.43Å; V1195-A1199 PolarHBondContact O-N 2.99Å; V1195-E1232 HydrophobicContact CG2-CB 3.65Å; V1195-I1233 HydrophobicContact CG2-CG1 4.44Å; V1195-F1244 HydrophobicContact CG1-CD1 4.15Å; V1195-F1244 HydrophobicContact CG1-CE1 4.13Å; V1195-L1248 HydrophobicContact CG1-CD1 3.64Å |
| 1196 | F | 52.3 | Low | 48.2 | Very low | 62 Ų | 62 | 59.5 Ų | 59.5 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 171.1 | -76.2 | -52 | 0 | 0 | 0 | 112.1 | I1106 L1113 A1192 R1194 T1198 A1200 | I1106-F1196 HydrophobicContact CG2-CB 3.61Å; I1106-F1196 HydrophobicContact CG2-CD1 3.85Å; I1106-F1196 HydrophobicContact CG2-CG 4.1Å; I1106-F1196 WeakPolarHBondContact CG2-O 3.19Å; L1113-F1196 HydrophobicContact CD1-CD2 4.18Å; A1192-F1196 HydrophobicContact CB-CD2 4.32Å; A1192-F1196 HydrophobicContact CB-CE2 4.28Å; A1192-F1196 VanDerWaalsContact O-CB 3.23Å; A1192-F1196 WeakPolarHBondContact O-CB 3.32Å; A1192-F1196 WeakPolarHBondContact O-CD2 3.34Å; A1192-F1196 WeakPolarHBondContact O-CG 3.28Å; A1192-F1196 PolarHBondContact O-N 3.16Å; R1194-F1196 VanDerWaalsContact C-N 3.33Å; R1194-F1196 PolarHBondContact O-N 3.22Å; F1196-T1198 VanDerWaalsContact C-N 3.29Å; F1196-T1198 PolarHBondContact O-N 2.88Å; F1196-A1200 WeakPolarHBondContact O-CB 3.48Å; F1196-A1200 PolarHBondContact O-N 2.93Å |
| 1197 | L | 50.1 | Low | 47.6 | Very low | 48 Ų | 48 | 57.6 Ų | 57.6 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -37 | 173.1 | -82.5 | 165.9 | 0 | 0 | 0 | 112.8 | R1110 R1193 R1194 R1201 | R1110-L1197 HydrophobicContact CG-CD2 4.2Å; R1193-L1197 HydrophobicContact CG-CD1 4.31Å; R1193-L1197 VanDerWaalsContact O-CB 3.24Å; R1193-L1197 WeakPolarHBondContact O-CB 3.43Å; R1193-L1197 WeakPolarHBondContact O-CD1 3.33Å; R1193-L1197 WeakPolarHBondContact O-CG 3.47Å; R1193-L1197 PolarHBondContact O-N 3.27Å; R1194-L1197 CarbonylContact O-C 3.53Å; R1194-L1197 WeakPolarHBondContact O-CB 3.43Å; R1194-L1197 PolarHBondContact O-N 2.94Å; R1194-L1197 VanDerWaalsContact O-N 3.14Å; L1197-R1201 VanDerWaalsContact O-CB 3.31Å; L1197-R1201 WeakPolarHBondContact O-CB 3.43Å; L1197-R1201 VanDerWaalsContact O-CG 3.29Å; L1197-R1201 WeakPolarHBondContact O-CG 3.44Å; L1197-R1201 PolarHBondContact O-N 2.89Å |
| 1198 | T | 50.1 | Low | 46.9 | Very low | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -78.8 | -41.6 | -179.3 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | R1194 V1195 F1196 R1201 A1202 F1223 F1228 I1229 | R1194-T1198 VanDerWaalsContact O-CB 3.29Å; R1194-T1198 WeakPolarHBondContact O-CB 3.4Å; R1194-T1198 PolarHBondContact O-N 3.25Å; R1194-T1198 PolarHBondContact O-OG1 2.8Å; V1195-T1198 PolarHBondContact O-N 3.17Å; F1196-T1198 VanDerWaalsContact C-N 3.29Å; F1196-T1198 PolarHBondContact O-N 2.88Å; T1198-R1201 PolarHBondContact O-N 2.89Å; T1198-A1202 VanDerWaalsContact O-CB 3.22Å; T1198-A1202 WeakPolarHBondContact O-CB 3.09Å; T1198-A1202 PolarHBondContact O-N 3.1Å; T1198-F1223 HydrophobicContact CG2-CZ 4.04Å; T1198-F1228 HydrophobicContact CG2-CB 4.12Å; T1198-F1228 HydrophobicContact CG2-CD1 3.5Å; T1198-F1228 VanDerWaalsContact CG2-CD1 3.5Å; T1198-F1228 HydrophobicContact CG2-CE1 4.29Å; T1198-F1228 HydrophobicContact CG2-CG 4.13Å; T1198-F1228 WeakPolarHBondContact OG1-CD1 3.5Å; T1198-F1228 VanDerWaalsContact OG1-CE1 3.29Å; T1198-F1228 WeakPolarHBondContact OG1-CE1 3.37Å; T1198-I1229 HydrophobicContact CG2-CD1 4.38Å; T1198-I1229 HydrophobicContact CG2-CG1 3.57Å |
| 1199 | A | 51.2 | Low | 46.1 | Very low | 5 Ų | 5 | 66.2 Ų | 66.2 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1195 A1202 L1203 | V1195-A1199 WeakPolarHBondContact O-CB 3.43Å; V1195-A1199 PolarHBondContact O-N 2.99Å; A1199-A1202 PolarHBondContact O-N 3.45Å; A1199-L1203 VanDerWaalsContact O-CB 3.26Å; A1199-L1203 WeakPolarHBondContact O-CB 3.17Å; A1199-L1203 WeakPolarHBondContact O-CD1 3.26Å; A1199-L1203 WeakPolarHBondContact O-CG 3.34Å; A1199-L1203 PolarHBondContact O-N 3.08Å |
| 1200 | A | 49.8 | Very low | 45.4 | Very low | 7 Ų | 7 | 71.1 Ų | 71.1 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1106 F1196 L1203 L1204 | I1106-A1200 HydrophobicContact CB-CB 4.06Å; I1106-A1200 HydrophobicContact CG2-CB 3.76Å; F1196-A1200 WeakPolarHBondContact O-CB 3.48Å; F1196-A1200 PolarHBondContact O-N 2.93Å; A1200-L1203 PolarHBondContact O-N 3.04Å; A1200-L1204 WeakPolarHBondContact O-CB 3.42Å; A1200-L1204 WeakPolarHBondContact O-CD1 3.42Å; A1200-L1204 WeakPolarHBondContact O-CG 3.5Å; A1200-L1204 PolarHBondContact O-N 2.85Å |
| 1201 | R | 46.2 | Very low | 44.3 | Very low | 161 Ų | 161 | 70.8 Ų | 70.8 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.8 | -49.4 | 174.3 | -83.6 | 175.2 | 166.8 | 175.6 | -6.3 | 111.3 | L1197 T1198 L1203 L1204 T1205 | L1197-R1201 VanDerWaalsContact O-CB 3.31Å; L1197-R1201 WeakPolarHBondContact O-CB 3.43Å; L1197-R1201 VanDerWaalsContact O-CG 3.29Å; L1197-R1201 WeakPolarHBondContact O-CG 3.44Å; L1197-R1201 PolarHBondContact O-N 2.89Å; T1198-R1201 PolarHBondContact O-N 2.89Å; R1201-L1203 PolarHBondContact O-N 2.88Å; R1201-L1204 CarbonylContact O-C 3.34Å; R1201-L1204 WeakPolarHBondContact O-CA 3.16Å; R1201-L1204 WeakPolarHBondContact O-CB 3.32Å; R1201-L1204 PolarHBondContact O-N 2.98Å; R1201-T1205 WeakPolarHBondContact O-CB 3.45Å; R1201-T1205 WeakPolarHBondContact O-CG2 3.42Å; R1201-T1205 PolarHBondContact O-N 2.86Å; R1201-T1205 PolarHBondContact O-OG1 2.89Å |
| 1202 | A | 48 | Very low | 43.1 | Very low | 8 Ų | 8 | 75.9 Ų | 75.9 | 7% | 0.066 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.7 | -46.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | T1198 A1199 L1204 T1205 W1206 A1225 I1229 | T1198-A1202 VanDerWaalsContact O-CB 3.22Å; T1198-A1202 WeakPolarHBondContact O-CB 3.09Å; T1198-A1202 PolarHBondContact O-N 3.1Å; A1199-A1202 PolarHBondContact O-N 3.45Å; A1202-L1204 PolarHBondContact O-N 3.27Å; A1202-T1205 PolarHBondContact O-N 3.5Å; A1202-W1206 WeakPolarHBondContact O-CA 3.48Å; A1202-W1206 WeakPolarHBondContact O-CB 3.37Å; A1202-W1206 PolarHBondContact O-N 2.92Å; A1202-A1225 HydrophobicContact CB-CB 3.63Å; A1202-I1229 HydrophobicContact CB-CD1 4.48Å |
| 1203 | L | 46.9 | Very low | 42 | Very low | 21 Ų | 21 | 83.3 Ų | 83.3 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.8 | -19.3 | 178.2 | -69 | 164.2 | 0 | 0 | 0 | 113.5 | L1102 C1103 I1106 A1199 A1200 R1201 | L1102-L1203 HydrophobicContact CD2-CD1 3.6Å; L1102-L1203 HydrophobicContact CD2-CD2 4.15Å; L1102-L1203 HydrophobicContact CG-CD1 3.92Å; C1103-L1203 WeakPolarHBondContact SG-CB 3.46Å; I1106-L1203 HydrophobicContact CD1-CD1 3.69Å; A1199-L1203 VanDerWaalsContact O-CB 3.26Å; A1199-L1203 WeakPolarHBondContact O-CB 3.17Å; A1199-L1203 WeakPolarHBondContact O-CD1 3.26Å; A1199-L1203 WeakPolarHBondContact O-CG 3.34Å; A1199-L1203 PolarHBondContact O-N 3.08Å; A1200-L1203 PolarHBondContact O-N 3.04Å; R1201-L1203 PolarHBondContact O-N 2.88Å |
| 1204 | L | 42.5 | Very low | 40.7 | Very low | 100 Ų | 100 | 89.4 Ų | 89.4 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -87.4 | -35 | 170.9 | -71.7 | 168.9 | 0 | 0 | 0 | 113 | C1103 I1107 A1200 R1201 A1202 | C1103-L1204 HydrophobicContact CB-CD2 3.72Å; C1103-L1204 HydrophobicContact CB-CG 3.96Å; I1107-L1204 HydrophobicContact CD1-CD1 4.41Å; A1200-L1204 WeakPolarHBondContact O-CB 3.42Å; A1200-L1204 WeakPolarHBondContact O-CD1 3.42Å; A1200-L1204 WeakPolarHBondContact O-CG 3.5Å; A1200-L1204 PolarHBondContact O-N 2.85Å; R1201-L1204 CarbonylContact O-C 3.34Å; R1201-L1204 WeakPolarHBondContact O-CA 3.16Å; R1201-L1204 WeakPolarHBondContact O-CB 3.32Å; R1201-L1204 PolarHBondContact O-N 2.98Å; A1202-L1204 PolarHBondContact O-N 3.27Å |
| 1205 | T | 44.4 | Very low | 39.6 | Very low | 91 Ų | 91 | 94.8 Ų | 94.8 | 56% | 0.558 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -96.2 | -11.5 | -176.4 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | R1201 A1202 Q1207 | R1201-T1205 WeakPolarHBondContact O-CB 3.45Å; R1201-T1205 WeakPolarHBondContact O-CG2 3.42Å; R1201-T1205 PolarHBondContact O-N 2.86Å; R1201-T1205 PolarHBondContact O-OG1 2.89Å; A1202-T1205 PolarHBondContact O-N 3.5Å; T1205-Q1207 PolarHBondContact O-N 3.49Å |
| 1206 | W | 42.1 | Very low | 38.5 | Very low | 130 Ų | 130 | 102 Ų | 102 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | trans | -73.6 | 73.2 | 172.9 | -175.8 | -2.7 | 0 | 0 | 0 | 109.6 | R1099 A1202 S1208 | R1099-W1206 PolarHBondContact NH1-O 3.19Å; A1202-W1206 WeakPolarHBondContact O-CA 3.48Å; A1202-W1206 WeakPolarHBondContact O-CB 3.37Å; A1202-W1206 PolarHBondContact O-N 2.92Å; W1206-S1208 PolarHBondContact O-N 3.19Å | ||
| 1207 | Q | 32.4 | Very low | 37.4 | Very low | 69 Ų | 69 | 103.2 Ų | 103.2 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | trans | -60.8 | 134.7 | 172.7 | -78.2 | 178.5 | -32.6 | 0 | 0 | 110.9 | T1205 I1211 F1212 | T1205-Q1207 PolarHBondContact O-N 3.49Å; Q1207-I1211 PolarHBondContact NE2-O 2.94Å; Q1207-F1212 VanDerWaalsContact CD-CE2 3.48Å | ||
| 1208 | S | 31.8 | Very low | 36.3 | Very low | 59 Ų | 59 | 108.1 Ų | 108.1 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | trans | -68.1 | 133.1 | 138.9 | 48.5 | 0 | 0 | 0 | 0 | 107.4 | W1206 K1210 | W1206-S1208 PolarHBondContact O-N 3.19Å; S1208-K1210 PolarHBondContact O-N 2.99Å | ||
| 1209 | E | 27.6 | Very low | 35.2 | Very low | 188 Ų | 188 | 111.7 Ų | 111.7 | 88% | 0.879 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -70.6 | 29.4 | -154.5 | -56.4 | 158 | 118.7 | 0 | 0 | 116.7 | ||
| 1210 | K | 29.8 | Very low | 34.2 | Very low | 189 Ų | 189 | 116.8 Ų | 116.8 | 82% | 0.822 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -137.6 | 22.5 | -166 | -61.1 | -167.4 | 175.7 | -174 | 0 | 115.8 | S1208 | S1208-K1210 PolarHBondContact O-N 2.99Š|
| 1211 | I | 28 | Very low | 33.5 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | trans | -139.3 | 57.4 | 174.6 | -40 | 178.7 | 0 | 0 | 0 | 111.6 | Q1207 | Q1207-I1211 PolarHBondContact NE2-O 2.94Š| ||
| 1212 | F | 25.8 | Very low | 33 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | trans | -136.6 | 113.6 | 157.8 | -94.2 | -44.6 | 0 | 0 | 0 | 106.8 | Q1207 | Q1207-F1212 VanDerWaalsContact CD-CE2 3.48Š| ||
| 1213 | D | 27.1 | Very low | 32.4 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 90% | 0.898 | 62% | 0.624 | S | S | * | * | trans | -156.3 | 1.4 | 174.5 | -115.6 | -23 | 0 | 0 | 0 | 113.9 | ||||
| 1214 | R | 25.1 | Very low | 32.6 | Very low | 224 Ų | 224 | 126.8 Ų | 126.8 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -145.4 | 131 | 170.3 | -63 | -170.3 | -176.1 | -163.1 | -0.4 | 109.5 | ||
| 1215 | Y | 27.7 | Very low | 32.5 | Very low | 213 Ų | 213 | 122.9 Ų | 122.9 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 71.8 | 140.2 | -172.6 | -57.5 | -76.5 | 0 | 0 | 0 | 116.1 | ||
| 1216 | D | 30 | Very low | 32.7 | Very low | 153 Ų | 153 | 122.2 Ų | 122.2 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 146.6 | -153.5 | -61.1 | -82.9 | 0 | 0 | 0 | 116.1 | ||
| 1217 | P | 29.2 | Very low | 33.2 | Very low | 87 Ų | 87 | 119.2 Ų | 119.2 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 133.2 | -172.2 | 33.3 | -35 | 0 | 0 | 0 | 113.8 | ||
| 1218 | I | 26.3 | Very low | 33.8 | Very low | 150 Ų | 150 | 119.6 Ų | 119.6 | 77% | 0.769 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 124.6 | 156.4 | -61.1 | 177.1 | 0 | 0 | 0 | 107.5 | ||
| 1219 | P | 27.4 | Very low | 34.7 | Very low | 82 Ų | 82 | 117 Ų | 117 | 53% | 0.532 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 131.5 | -172.2 | -29 | 36.1 | 0 | 0 | 0 | 114.5 | S1221 | P1219-S1221 PolarHBondContact O-N 3.38Š|
| 1220 | P | 30.9 | Very low | 36.1 | Very low | 113 Ų | 113 | 111 Ų | 111 | 73% | 0.734 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -64.7 | -6.2 | 178 | -24.5 | 34.9 | 0 | 0 | 0 | 116.1 | T1222 | P1220-T1222 PolarHBondContact O-N 3.49Š|
| 1221 | S | 34.4 | Very low | 37.4 | Very low | 106 Ų | 106 | 104.1 Ų | 104.1 | 74% | 0.741 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -78.3 | -13.9 | -165.1 | 51.3 | 0 | 0 | 0 | 0 | 115.7 | P1219 | P1219-S1221 PolarHBondContact O-N 3.38Š|
| 1222 | T | 36.1 | Very low | 38.5 | Very low | 123 Ų | 123 | 98.3 Ų | 98.3 | 76% | 0.755 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -101.8 | -10.4 | -172.9 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | P1220 | P1220-T1222 PolarHBondContact O-N 3.49Š|
| 1223 | F | 35.5 | Very low | 39.8 | Very low | 80 Ų | 80 | 92.8 Ų | 92.8 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | trans | -121.3 | 78.9 | -175.9 | -168.6 | -105 | 0 | 0 | 0 | 112.1 | T1198 A1225 F1228 | T1198-F1223 HydrophobicContact CG2-CZ 4.04Å; F1223-A1225 VanDerWaalsContact C-N 3.33Å; F1223-A1225 HydrophobicContact CD1-CB 4.32Å; F1223-A1225 HydrophobicContact CE1-CB 4.06Å; F1223-A1225 PolarHBondContact O-N 3.32Å; F1223-F1228 HydrophobicContact CE2-CB 4.22Å; F1223-F1228 AromaticContact CE2-CD2 3.92Å; F1223-F1228 HydrophobicContact CE2-CD2 3.92Å; F1223-F1228 HydrophobicContact CE2-CG 4.05Å; F1223-F1228 HydrophobicContact CZ-CB 4.37Å; F1223-F1228 HydrophobicContact CZ-CG 4.37Å | ||
| 1224 | N | 49.9 | Very low | 41.4 | Very low | 97 Ų | 97 | 89.4 Ų | 89.4 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | trans | -67.7 | 95.7 | 165.2 | 178.5 | -11.6 | 0 | 0 | 0 | 109.1 | N1226 S1227 F1228 | N1224-N1226 PolarHBondContact O-N 3.37Å; N1224-N1226 WeakPolarHBondContact OD1-CB 3.32Å; N1224-N1226 PolarHBondContact OD1-N 3.48Å; N1224-S1227 WeakPolarHBondContact CB-OG 3.47Å; N1224-S1227 PolarHBondContact O-N 3.26Å; N1224-S1227 PolarHBondContact O-OG 2.74Å; N1224-S1227 VanDerWaalsContact O-OG 3.1Å; N1224-S1227 PolarHBondContact OD1-N 3.18Å; N1224-F1228 PolarHBondContact O-N 3.39Å | ||
| 1225 | A | 41.8 | Very low | 42.9 | Very low | 18 Ų | 18 | 83.9 Ų | 83.9 | 15% | 0.149 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -54.8 | -38.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1202 F1223 F1228 I1229 | A1202-A1225 HydrophobicContact CB-CB 3.63Å; F1223-A1225 VanDerWaalsContact C-N 3.33Å; F1223-A1225 HydrophobicContact CD1-CB 4.32Å; F1223-A1225 HydrophobicContact CE1-CB 4.06Å; F1223-A1225 PolarHBondContact O-N 3.32Å; A1225-F1228 PolarHBondContact O-N 3.41Å; A1225-I1229 WeakPolarHBondContact O-CB 3.44Å; A1225-I1229 WeakPolarHBondContact O-CG1 3.4Å; A1225-I1229 PolarHBondContact O-N 2.95Å |
| 1226 | N | 47.9 | Very low | 43.9 | Very low | 77 Ų | 77 | 74.2 Ų | 74.2 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.6 | -39.9 | -179.7 | -66.7 | -15.7 | 0 | 0 | 0 | 111.6 | N1224 I1229 E1230 | N1224-N1226 PolarHBondContact O-N 3.37Å; N1224-N1226 WeakPolarHBondContact OD1-CB 3.32Å; N1224-N1226 PolarHBondContact OD1-N 3.48Å; N1226-I1229 PolarHBondContact O-N 3.2Å; N1226-E1230 WeakPolarHBondContact O-CB 3.37Å; N1226-E1230 PolarHBondContact O-N 2.76Å |
| 1227 | S | 52.6 | Low | 44.7 | Very low | 67 Ų | 67 | 68.5 Ų | 68.5 | 47% | 0.469 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.9 | -27.9 | 174.9 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | N1224 S1231 | N1224-S1227 WeakPolarHBondContact CB-OG 3.47Å; N1224-S1227 PolarHBondContact O-N 3.26Å; N1224-S1227 PolarHBondContact O-OG 2.74Å; N1224-S1227 VanDerWaalsContact O-OG 3.1Å; N1224-S1227 PolarHBondContact OD1-N 3.18Å; S1227-S1231 WeakPolarHBondContact O-CB 3.3Å; S1227-S1231 PolarHBondContact O-N 3.34Å |
| 1228 | F | 45.1 | Very low | 45.7 | Very low | 78 Ų | 78 | 67.5 Ų | 67.5 | 34% | 0.342 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -74.8 | -40.3 | 171.7 | -161.9 | -74.4 | 0 | 0 | 0 | 111.8 | T1198 F1223 N1224 A1225 S1231 E1232 | T1198-F1228 HydrophobicContact CG2-CB 4.12Å; T1198-F1228 HydrophobicContact CG2-CD1 3.5Å; T1198-F1228 VanDerWaalsContact CG2-CD1 3.5Å; T1198-F1228 HydrophobicContact CG2-CE1 4.29Å; T1198-F1228 HydrophobicContact CG2-CG 4.13Å; T1198-F1228 WeakPolarHBondContact OG1-CD1 3.5Å; T1198-F1228 VanDerWaalsContact OG1-CE1 3.29Å; T1198-F1228 WeakPolarHBondContact OG1-CE1 3.37Å; F1223-F1228 HydrophobicContact CE2-CB 4.22Å; F1223-F1228 AromaticContact CE2-CD2 3.92Å; F1223-F1228 HydrophobicContact CE2-CD2 3.92Å; F1223-F1228 HydrophobicContact CE2-CG 4.05Å; F1223-F1228 HydrophobicContact CZ-CB 4.37Å; F1223-F1228 HydrophobicContact CZ-CG 4.37Å; N1224-F1228 PolarHBondContact O-N 3.39Å; A1225-F1228 PolarHBondContact O-N 3.41Å; F1228-S1231 PolarHBondContact O-N 3.46Å; F1228-E1232 HydrophobicContact CD1-CG 3.73Å; F1228-E1232 HydrophobicContact CE1-CG 3.42Å; F1228-E1232 VanDerWaalsContact CE1-CG 3.42Å; F1228-E1232 WeakPolarHBondContact CE1-OE1 3.28Å; F1228-E1232 HydrophobicContact CZ-CG 4.31Å; F1228-E1232 WeakPolarHBondContact CZ-OE1 3.26Å; F1228-E1232 PolarHBondContact O-N 3.33Å |
| 1229 | I | 50.1 | Low | 46.4 | Very low | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 173.6 | -72.8 | 168.9 | 0 | 0 | 0 | 109.6 | T1198 A1202 A1225 N1226 S1231 E1232 I1233 L1248 L1252 | T1198-I1229 HydrophobicContact CG2-CD1 4.38Å; T1198-I1229 HydrophobicContact CG2-CG1 3.57Å; A1202-I1229 HydrophobicContact CB-CD1 4.48Å; A1225-I1229 WeakPolarHBondContact O-CB 3.44Å; A1225-I1229 WeakPolarHBondContact O-CG1 3.4Å; A1225-I1229 PolarHBondContact O-N 2.95Å; N1226-I1229 PolarHBondContact O-N 3.2Å; I1229-S1231 PolarHBondContact O-N 2.81Å; I1229-E1232 PolarHBondContact O-N 3.25Å; I1229-I1233 HydrophobicContact CG2-CD1 3.6Å; I1229-I1233 HydrophobicContact CG2-CG1 4.35Å; I1229-I1233 WeakPolarHBondContact O-CB 3.43Å; I1229-I1233 WeakPolarHBondContact O-CG1 3.34Å; I1229-I1233 PolarHBondContact O-N 2.75Å; I1229-L1248 HydrophobicContact CG2-CD1 4.12Å; I1229-L1252 HydrophobicContact CD1-CD1 4.04Å; I1229-L1252 HydrophobicContact CG2-CD1 4.44Å |
| 1230 | E | 58.1 | Low | 47.1 | Very low | 62 Ų | 62 | 61.2 Ų | 61.2 | 29% | 0.29 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 172.6 | -78.4 | -63.7 | 147.2 | 0 | 0 | 112.1 | N1226 E1232 I1233 N1234 R1245 | N1226-E1230 WeakPolarHBondContact O-CB 3.37Å; N1226-E1230 PolarHBondContact O-N 2.76Å; E1230-E1232 VanDerWaalsContact C-N 3.34Å; E1230-E1232 PolarHBondContact O-N 3.36Å; E1230-I1233 PolarHBondContact O-N 3.07Å; E1230-N1234 WeakPolarHBondContact O-CB 3.49Å; E1230-N1234 PolarHBondContact O-N 2.92Å; E1230-N1234 PolarHBondContact O-ND2 3.36Å; E1230-N1234 PolarHBondContact O-OD1 3.25Å; E1230-R1245 WeakPolarHBondContact OE1-CD 3.32Å; E1230-R1245 IonicContact OE1-NE 3.96Å; E1230-R1245 IonicContact OE2-CZ 2.78Å; E1230-R1245 IonicContact OE2-NE 2.74Å; E1230-R1245 PolarHBondContact OE2-NE 3.29Å; E1230-R1245 IonicContact OE2-NH2 3.74Å |
| 1231 | S | 55.4 | Low | 48 | Very low | 44 Ų | 44 | 56.1 Ų | 56.1 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 177 | -173.4 | 0 | 0 | 0 | 0 | 113.5 | S1227 F1228 I1229 R1235 | S1227-S1231 WeakPolarHBondContact O-CB 3.3Å; S1227-S1231 PolarHBondContact O-N 3.34Å; F1228-S1231 PolarHBondContact O-N 3.46Å; I1229-S1231 PolarHBondContact O-N 2.81Å; S1231-R1235 WeakPolarHBondContact O-CG 3.09Å |
| 1232 | E | 51.1 | Low | 48.9 | Very low | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -78.5 | -39.4 | 173.8 | -65 | -68.8 | 179.4 | 0 | 0 | 111.6 | I1191 R1194 V1195 F1228 I1229 E1230 N1234 R1235 | I1191-E1232 HydrophobicContact CG2-CB 4.17Å; I1191-E1232 WeakPolarHBondContact CG2-O 3.22Å; R1194-E1232 HydrophobicContact CB-CG 4.27Å; R1194-E1232 WeakPolarHBondContact CD-OE1 3.3Å; R1194-E1232 IonicContact CZ-OE1 3.93Å; R1194-E1232 IonicContact NE-OE1 3.53Å; R1194-E1232 IonicContact NH1-OE1 3.53Å; R1194-E1232 PolarHBondContact NH1-OE1 3.12Å; R1194-E1232 IonicContact NH1-OE2 3.53Å; V1195-E1232 HydrophobicContact CG2-CB 3.65Å; F1228-E1232 HydrophobicContact CD1-CG 3.73Å; F1228-E1232 HydrophobicContact CE1-CG 3.42Å; F1228-E1232 VanDerWaalsContact CE1-CG 3.42Å; F1228-E1232 WeakPolarHBondContact CE1-OE1 3.28Å; F1228-E1232 HydrophobicContact CZ-CG 4.31Å; F1228-E1232 WeakPolarHBondContact CZ-OE1 3.26Å; F1228-E1232 PolarHBondContact O-N 3.33Å; I1229-E1232 PolarHBondContact O-N 3.25Å; E1230-E1232 VanDerWaalsContact C-N 3.34Å; E1230-E1232 PolarHBondContact O-N 3.36Å; E1232-N1234 VanDerWaalsContact C-N 3.27Å; E1232-N1234 PolarHBondContact O-N 3.37Å; E1232-R1235 WeakPolarHBondContact O-CB 3.4Å; E1232-R1235 PolarHBondContact O-N 2.79Å; E1232-R1235 IonicContact OE1-CZ 3.62Å; E1232-R1235 IonicContact OE1-NH1 2.8Å; E1232-R1235 PolarHBondContact OE1-NH1 3.2Å; E1232-R1235 WeakPolarHBondContact OE2-CD 3.31Å; E1232-R1235 IonicContact OE2-CZ 2.72Å; E1232-R1235 IonicContact OE2-NH1 3.45Å; E1232-R1235 PolarHBondContact OE2-NH1 3.18Å |
| 1233 | I | 53.6 | Low | 49.6 | Very low | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.1 | -41.6 | 171.4 | -73 | 169.4 | 0 | 0 | 0 | 111.1 | V1195 I1229 E1230 R1235 L1236 A1241 F1244 R1245 L1248 | V1195-I1233 HydrophobicContact CG2-CG1 4.44Å; I1229-I1233 HydrophobicContact CG2-CD1 3.6Å; I1229-I1233 HydrophobicContact CG2-CG1 4.35Å; I1229-I1233 WeakPolarHBondContact O-CB 3.43Å; I1229-I1233 WeakPolarHBondContact O-CG1 3.34Å; I1229-I1233 PolarHBondContact O-N 2.75Å; E1230-I1233 PolarHBondContact O-N 3.07Å; I1233-R1235 PolarHBondContact O-N 3.46Å; I1233-R1235 VanDerWaalsContact O-N 3.12Å; I1233-L1236 VanDerWaalsContact O-CB 3.26Å; I1233-L1236 WeakPolarHBondContact O-CB 3.47Å; I1233-L1236 PolarHBondContact O-N 2.69Å; I1233-A1241 HydrophobicContact CG2-CB 4.07Å; I1233-A1241 WeakPolarHBondContact O-CB 3.45Å; I1233-F1244 HydrophobicContact CG1-CB 4.34Å; I1233-R1245 HydrophobicContact CD1-CG 4.27Å; I1233-R1245 HydrophobicContact CG2-CG 3.64Å; I1233-L1248 HydrophobicContact CD1-CD1 3.79Å; I1233-L1248 HydrophobicContact CG1-CD1 4.41Å |
| 1234 | N | 61.6 | Low | 50.3 | Low | 97 Ų | 97 | 50 Ų | 50 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -10.2 | 177.9 | -69.9 | -15.1 | 0 | 0 | 0 | 113.4 | E1230 E1232 R1245 | E1230-N1234 WeakPolarHBondContact O-CB 3.49Å; E1230-N1234 PolarHBondContact O-N 2.92Å; E1230-N1234 PolarHBondContact O-ND2 3.36Å; E1230-N1234 PolarHBondContact O-OD1 3.25Å; E1232-N1234 VanDerWaalsContact C-N 3.27Å; E1232-N1234 PolarHBondContact O-N 3.37Å; N1234-R1245 PolarHBondContact OD1-NH2 2.82Å |
| 1235 | R | 56.8 | Low | 50.5 | Low | 107 Ų | 107 | 49.3 Ų | 49.3 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -12.4 | 171.6 | -64 | 167.2 | -174.1 | 159.2 | 6.2 | 112.4 | K1187 I1191 R1194 S1231 E1232 I1233 | K1187-R1235 WeakPolarHBondContact CE-O 3.47Å; K1187-R1235 PolarHBondContact NZ-O 2.89Å; I1191-R1235 VanDerWaalsContact CD1-C 3.46Å; I1191-R1235 HydrophobicContact CD1-CB 3.5Å; I1191-R1235 VanDerWaalsContact CD1-CB 3.5Å; I1191-R1235 VanDerWaalsContact CD1-O 3.27Å; I1191-R1235 WeakPolarHBondContact CD1-O 3.28Å; I1191-R1235 HydrophobicContact CG1-CB 4.25Å; R1194-R1235 VanDerWaalsContact NH1-NH1 3.15Å; S1231-R1235 WeakPolarHBondContact O-CG 3.09Å; E1232-R1235 WeakPolarHBondContact O-CB 3.4Å; E1232-R1235 PolarHBondContact O-N 2.79Å; E1232-R1235 IonicContact OE1-CZ 3.62Å; E1232-R1235 IonicContact OE1-NH1 2.8Å; E1232-R1235 PolarHBondContact OE1-NH1 3.2Å; E1232-R1235 WeakPolarHBondContact OE2-CD 3.31Å; E1232-R1235 IonicContact OE2-CZ 2.72Å; E1232-R1235 IonicContact OE2-NH1 3.45Å; E1232-R1235 PolarHBondContact OE2-NH1 3.18Å; I1233-R1235 PolarHBondContact O-N 3.46Å; I1233-R1235 VanDerWaalsContact O-N 3.12Å |
| 1236 | L | 47.3 | Very low | 50.9 | Low | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -73.5 | 148.6 | 168.7 | -58.9 | 169.3 | 0 | 0 | 0 | 109.3 | I1191 I1233 L1240 A1241 F1244 | I1191-L1236 HydrophobicContact CB-CD2 3.68Å; I1191-L1236 HydrophobicContact CB-CG 4.42Å; I1191-L1236 HydrophobicContact CD1-CD2 4.04Å; I1191-L1236 HydrophobicContact CG2-CD1 4.37Å; I1191-L1236 HydrophobicContact CG2-CD2 3.44Å; I1191-L1236 VanDerWaalsContact CG2-CD2 3.44Å; I1191-L1236 HydrophobicContact CG2-CG 3.67Å; I1233-L1236 VanDerWaalsContact O-CB 3.26Å; I1233-L1236 WeakPolarHBondContact O-CB 3.47Å; I1233-L1236 PolarHBondContact O-N 2.69Å; L1236-L1240 HydrophobicContact CB-CB 4.39Å; L1236-L1240 HydrophobicContact CB-CG 4.5Å; L1236-L1240 HydrophobicContact CD1-CG 4.33Å; L1236-L1240 HydrophobicContact CD2-CD2 3.95Å; L1236-L1240 HydrophobicContact CD2-CG 4.26Å; L1236-A1241 HydrophobicContact CB-CB 3.93Å; L1236-F1244 HydrophobicContact CD1-CB 3.82Å; L1236-F1244 HydrophobicContact CD1-CD2 3.46Å; L1236-F1244 VanDerWaalsContact CD1-CD2 3.46Å; L1236-F1244 HydrophobicContact CD1-CE2 4.18Å; L1236-F1244 HydrophobicContact CD1-CG 3.76Å |
| 1237 | D | 47.6 | Very low | 51 | Low | 32 Ų | 32 | 53.3 Ų | 53.3 | 17% | 0.171 | 27% | 0.274 | C | S | . | . | trans | -62.2 | 142.9 | 172.1 | -74.1 | 38.7 | 0 | 0 | 0 | 110.8 | Y1180 T1184 K1187 P1239 L1240 A1241 | Y1180-D1237 VanDerWaalsContact CE1-OD2 3.29Å; Y1180-D1237 WeakPolarHBondContact CE1-OD2 3.44Å; Y1180-D1237 VanDerWaalsContact CZ-OD2 3.31Å; Y1180-D1237 PolarHBondContact OH-OD2 3.4Å; T1184-D1237 HydrophobicContact CG2-CB 4.34Å; K1187-D1237 IonicContact NZ-OD1 2.69Å; K1187-D1237 PolarHBondContact NZ-OD1 2.86Å; D1237-P1239 VanDerWaalsContact C-CD 3.45Å; D1237-P1239 WeakPolarHBondContact O-CD 3.38Å; D1237-L1240 CarbonylContact O-C 3.58Å; D1237-L1240 WeakPolarHBondContact O-CA 3.46Å; D1237-L1240 PolarHBondContact O-N 3.48Å; D1237-A1241 PolarHBondContact O-N 2.95Å | ||
| 1238 | A | 50 | Low | 50.8 | Low | 66 Ų | 66 | 51 Ų | 51 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -41.5 | -46.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | T1242 | A1238-T1242 VanDerWaalsContact O-CB 3.25Å; A1238-T1242 WeakPolarHBondContact O-CB 3.45Å; A1238-T1242 PolarHBondContact O-N 2.82Å; A1238-T1242 PolarHBondContact O-OG1 2.81Å |
| 1239 | P | 40.4 | Very low | 50.9 | Low | 55 Ų | 55 | 49.2 Ų | 49.2 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 173.5 | 19.4 | -31.5 | 0 | 0 | 0 | 113.1 | D1237 T1242 W1243 | D1237-P1239 VanDerWaalsContact C-CD 3.45Å; D1237-P1239 WeakPolarHBondContact O-CD 3.38Å; P1239-T1242 PolarHBondContact O-N 3.19Å; P1239-W1243 WeakPolarHBondContact O-CB 3.41Å; P1239-W1243 PolarHBondContact O-N 2.74Å |
| 1240 | L | 42.9 | Very low | 50.6 | Low | 46 Ų | 46 | 52.5 Ų | 52.5 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -78.5 | -35.4 | -175.4 | -170.8 | 60.3 | 0 | 0 | 0 | 111.6 | A1188 L1236 D1237 W1243 F1244 | A1188-L1240 HydrophobicContact CB-CD2 3.41Å; A1188-L1240 VanDerWaalsContact CB-CD2 3.41Å; L1236-L1240 HydrophobicContact CB-CB 4.39Å; L1236-L1240 HydrophobicContact CB-CG 4.5Å; L1236-L1240 HydrophobicContact CD1-CG 4.33Å; L1236-L1240 HydrophobicContact CD2-CD2 3.95Å; L1236-L1240 HydrophobicContact CD2-CG 4.26Å; D1237-L1240 CarbonylContact O-C 3.58Å; D1237-L1240 WeakPolarHBondContact O-CA 3.46Å; D1237-L1240 PolarHBondContact O-N 3.48Å; L1240-W1243 PolarHBondContact O-N 2.73Å; L1240-F1244 HydrophobicContact CD1-CD2 3.97Å; L1240-F1244 HydrophobicContact CD1-CE2 4.05Å; L1240-F1244 HydrophobicContact CG-CD2 4.08Å; L1240-F1244 HydrophobicContact CG-CE2 4.32Å; L1240-F1244 WeakPolarHBondContact O-CB 3.2Å; L1240-F1244 WeakPolarHBondContact O-CD2 3.33Å; L1240-F1244 PolarHBondContact O-N 3.29Å |
| 1241 | A | 49.3 | Very low | 49.7 | Very low | 5 Ų | 5 | 53.7 Ų | 53.7 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.5 | -48.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111 | I1233 L1236 D1237 F1244 R1245 | I1233-A1241 HydrophobicContact CG2-CB 4.07Å; I1233-A1241 WeakPolarHBondContact O-CB 3.45Å; L1236-A1241 HydrophobicContact CB-CB 3.93Å; D1237-A1241 PolarHBondContact O-N 2.95Å; A1241-F1244 PolarHBondContact O-N 3.39Å; A1241-R1245 WeakPolarHBondContact O-CG 3.32Å; A1241-R1245 PolarHBondContact O-N 3.48Å |
| 1242 | T | 53.5 | Low | 48.9 | Very low | 56 Ų | 56 | 52.7 Ų | 52.7 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 178.9 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | A1238 P1239 R1245 N1246 | A1238-T1242 VanDerWaalsContact O-CB 3.25Å; A1238-T1242 WeakPolarHBondContact O-CB 3.45Å; A1238-T1242 PolarHBondContact O-N 2.82Å; A1238-T1242 PolarHBondContact O-OG1 2.81Å; P1239-T1242 PolarHBondContact O-N 3.19Å; T1242-R1245 PolarHBondContact O-N 2.76Å; T1242-N1246 VanDerWaalsContact O-CB 3.27Å; T1242-N1246 WeakPolarHBondContact O-CB 3.27Å; T1242-N1246 PolarHBondContact O-N 3.36Å; T1242-N1246 PolarHBondContact O-ND2 3.18Å |
| 1243 | W | 51.8 | Low | 48.3 | Very low | 106 Ų | 106 | 56.2 Ų | 56.2 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.1 | -173.4 | 95.7 | 0 | 0 | 0 | 111.8 | L1010 P1239 L1240 N1246 R1247 | L1010-W1243 HydrophobicContact CD1-CH2 4.22Å; P1239-W1243 WeakPolarHBondContact O-CB 3.41Å; P1239-W1243 PolarHBondContact O-N 2.74Å; L1240-W1243 PolarHBondContact O-N 2.73Å; W1243-N1246 PolarHBondContact O-N 2.75Å; W1243-R1247 HydrophobicContact CH2-CG 4.45Å; W1243-R1247 HydrophobicContact CZ2-CG 4.37Å; W1243-R1247 PolarHBondContact O-N 3.32Å |
| 1244 | F | 50 | Low | 47.4 | Very low | 18 Ų | 18 | 58.8 Ų | 58.8 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 177.4 | -98.2 | -83.5 | 0 | 0 | 0 | 112.6 | A1192 V1195 I1233 L1236 L1240 A1241 R1247 L1248 | A1192-F1244 HydrophobicContact CB-CE2 4.47Å; A1192-F1244 HydrophobicContact CB-CZ 3.92Å; V1195-F1244 HydrophobicContact CG1-CD1 4.15Å; V1195-F1244 HydrophobicContact CG1-CE1 4.13Å; I1233-F1244 HydrophobicContact CG1-CB 4.34Å; L1236-F1244 HydrophobicContact CD1-CB 3.82Å; L1236-F1244 HydrophobicContact CD1-CD2 3.46Å; L1236-F1244 VanDerWaalsContact CD1-CD2 3.46Å; L1236-F1244 HydrophobicContact CD1-CE2 4.18Å; L1236-F1244 HydrophobicContact CD1-CG 3.76Å; L1240-F1244 HydrophobicContact CD1-CD2 3.97Å; L1240-F1244 HydrophobicContact CD1-CE2 4.05Å; L1240-F1244 HydrophobicContact CG-CD2 4.08Å; L1240-F1244 HydrophobicContact CG-CE2 4.32Å; L1240-F1244 WeakPolarHBondContact O-CB 3.2Å; L1240-F1244 WeakPolarHBondContact O-CD2 3.33Å; L1240-F1244 PolarHBondContact O-N 3.29Å; A1241-F1244 PolarHBondContact O-N 3.39Å; F1244-R1247 PolarHBondContact O-N 2.81Å; F1244-L1248 HydrophobicContact CD1-CD1 3.83Å; F1244-L1248 HydrophobicContact CD1-CG 4.41Å; F1244-L1248 VanDerWaalsContact O-CB 3.24Å; F1244-L1248 WeakPolarHBondContact O-CB 3.29Å; F1244-L1248 PolarHBondContact O-N 2.79Å |
| 1245 | R | 53.5 | Low | 46 | Very low | 83 Ų | 83 | 58 Ų | 58 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -50.4 | 171.2 | -68.6 | -162.3 | -164.5 | 103.5 | -0.3 | 110.8 | E1230 I1233 N1234 A1241 T1242 R1247 L1248 C1249 | E1230-R1245 WeakPolarHBondContact OE1-CD 3.32Å; E1230-R1245 IonicContact OE1-NE 3.96Å; E1230-R1245 IonicContact OE2-CZ 2.78Å; E1230-R1245 IonicContact OE2-NE 2.74Å; E1230-R1245 PolarHBondContact OE2-NE 3.29Å; E1230-R1245 IonicContact OE2-NH2 3.74Å; I1233-R1245 HydrophobicContact CD1-CG 4.27Å; I1233-R1245 HydrophobicContact CG2-CG 3.64Å; N1234-R1245 PolarHBondContact OD1-NH2 2.82Å; A1241-R1245 WeakPolarHBondContact O-CG 3.32Å; A1241-R1245 PolarHBondContact O-N 3.48Å; T1242-R1245 PolarHBondContact O-N 2.76Å; R1245-R1247 PolarHBondContact O-N 3.4Å; R1245-L1248 PolarHBondContact O-N 2.77Å; R1245-C1249 VanDerWaalsContact O-CB 3.24Å; R1245-C1249 WeakPolarHBondContact O-CB 3.46Å; R1245-C1249 PolarHBondContact O-N 3.2Å; R1245-C1249 PolarHBondContact O-SG 2.8Å |
| 1246 | N | 51 | Low | 44.8 | Very low | 98 Ų | 98 | 59.4 Ų | 59.4 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.3 | -22.2 | -177.1 | -69 | -6.7 | 0 | 0 | 0 | 113.6 | T1242 W1243 L1250 | T1242-N1246 VanDerWaalsContact O-CB 3.27Å; T1242-N1246 WeakPolarHBondContact O-CB 3.27Å; T1242-N1246 PolarHBondContact O-N 3.36Å; T1242-N1246 PolarHBondContact O-ND2 3.18Å; W1243-N1246 PolarHBondContact O-N 2.75Å; N1246-L1250 WeakPolarHBondContact O-CD1 3.24Å; N1246-L1250 WeakPolarHBondContact O-CG 3.25Å |
| 1247 | R | 48.3 | Very low | 44.1 | Very low | 82 Ų | 82 | 62.7 Ų | 62.7 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -95.1 | -36.8 | 172.5 | -113.9 | 66.1 | -173.9 | -164.7 | -1 | 114.1 | D1014 W1243 F1244 R1245 L1250 L1251 | D1014-R1247 IonicContact OD1-CZ 3.45Å; D1014-R1247 VanDerWaalsContact OD1-CZ 3.3Å; D1014-R1247 IonicContact OD1-NE 3.65Å; D1014-R1247 PolarHBondContact OD1-NE 2.82Å; D1014-R1247 IonicContact OD1-NH2 2.75Å; D1014-R1247 PolarHBondContact OD1-NH2 3.23Å; D1014-R1247 IonicContact OD2-CZ 3.73Å; D1014-R1247 IonicContact OD2-NE 3.58Å; D1014-R1247 IonicContact OD2-NH2 2.76Å; D1014-R1247 PolarHBondContact OD2-NH2 3.37Å; W1243-R1247 HydrophobicContact CH2-CG 4.45Å; W1243-R1247 HydrophobicContact CZ2-CG 4.37Å; W1243-R1247 PolarHBondContact O-N 3.32Å; F1244-R1247 PolarHBondContact O-N 2.81Å; R1245-R1247 PolarHBondContact O-N 3.4Å; R1247-L1250 PolarHBondContact O-N 3.41Å; R1247-L1251 WeakPolarHBondContact O-CG 3.44Å; R1247-L1251 PolarHBondContact O-N 2.77Å |
| 1248 | L | 50 | Low | 43.3 | Very low | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.089 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.3 | -34 | 175.5 | -78.4 | 164.6 | 0 | 0 | 0 | 112.2 | V1195 I1229 I1233 F1244 R1245 L1250 L1251 L1252 | V1195-L1248 HydrophobicContact CG1-CD1 3.64Å; I1229-L1248 HydrophobicContact CG2-CD1 4.12Å; I1233-L1248 HydrophobicContact CD1-CD1 3.79Å; I1233-L1248 HydrophobicContact CG1-CD1 4.41Å; F1244-L1248 HydrophobicContact CD1-CD1 3.83Å; F1244-L1248 HydrophobicContact CD1-CG 4.41Å; F1244-L1248 VanDerWaalsContact O-CB 3.24Å; F1244-L1248 WeakPolarHBondContact O-CB 3.29Å; F1244-L1248 PolarHBondContact O-N 2.79Å; R1245-L1248 PolarHBondContact O-N 2.77Å; L1248-L1250 PolarHBondContact O-N 2.78Å; L1248-L1251 HydrophobicContact CD2-CD1 4.44Å; L1248-L1251 CarbonylContact O-C 3.46Å; L1248-L1251 PolarHBondContact O-N 3.17Å; L1248-L1252 HydrophobicContact CB-CD1 4.11Å; L1248-L1252 HydrophobicContact CB-CG 4.49Å; L1248-L1252 HydrophobicContact CD2-CD1 4.23Å; L1248-L1252 HydrophobicContact CD2-CG 4.32Å; L1248-L1252 WeakPolarHBondContact O-CB 3.45Å; L1248-L1252 WeakPolarHBondContact O-CG 3.18Å; L1248-L1252 PolarHBondContact O-N 2.8Å |
| 1249 | C | 46.7 | Very low | 42.2 | Very low | 41 Ų | 41 | 65.6 Ų | 65.6 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -29.7 | 171.4 | -71.7 | 0 | 0 | 0 | 0 | 112.5 | R1245 L1251 Y1253 | R1245-C1249 VanDerWaalsContact O-CB 3.24Å; R1245-C1249 WeakPolarHBondContact O-CB 3.46Å; R1245-C1249 PolarHBondContact O-N 3.2Å; R1245-C1249 PolarHBondContact O-SG 2.8Å; C1249-L1251 VanDerWaalsContact C-N 3.31Å; C1249-Y1253 HydrophobicContact CB-CD2 4.01Å; C1249-Y1253 HydrophobicContact CB-CE2 4.29Å; C1249-Y1253 PolarHBondContact O-N 3.46Å |
| 1250 | L | 43.1 | Very low | 41.7 | Very low | 74 Ų | 74 | 67.4 Ų | 67.4 | 39% | 0.387 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -83.5 | -2.7 | 174.9 | -63.3 | 176.1 | 0 | 0 | 0 | 114 | Q1021 N1246 R1247 L1248 | Q1021-L1250 PolarHBondContact NE2-O 2.65Å; N1246-L1250 WeakPolarHBondContact O-CD1 3.24Å; N1246-L1250 WeakPolarHBondContact O-CG 3.25Å; R1247-L1250 PolarHBondContact O-N 3.41Å; L1248-L1250 PolarHBondContact O-N 2.78Å |
| 1251 | L | 38.7 | Very low | 41.1 | Very low | 87 Ų | 87 | 66.8 Ų | 66.8 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -117 | -28.4 | -179.6 | -71.9 | 168.4 | 0 | 0 | 0 | 113.5 | I1017 R1247 L1248 C1249 | I1017-L1251 HydrophobicContact CD1-CD2 3.98Å; I1017-L1251 HydrophobicContact CG2-CD2 4.45Å; R1247-L1251 WeakPolarHBondContact O-CG 3.44Å; R1247-L1251 PolarHBondContact O-N 2.77Å; L1248-L1251 HydrophobicContact CD2-CD1 4.44Å; L1248-L1251 CarbonylContact O-C 3.46Å; L1248-L1251 PolarHBondContact O-N 3.17Å; C1249-L1251 VanDerWaalsContact C-N 3.31Å |
| 1252 | L | 40.4 | Very low | 40.2 | Very low | 24 Ų | 24 | 72.8 Ų | 72.8 | 13% | 0.126 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -100.5 | -31.6 | -175 | -64.3 | 177.4 | 0 | 0 | 0 | 113.3 | I1229 L1248 | I1229-L1252 HydrophobicContact CD1-CD1 4.04Å; I1229-L1252 HydrophobicContact CG2-CD1 4.44Å; L1248-L1252 HydrophobicContact CB-CD1 4.11Å; L1248-L1252 HydrophobicContact CB-CG 4.49Å; L1248-L1252 HydrophobicContact CD2-CD1 4.23Å; L1248-L1252 HydrophobicContact CD2-CG 4.32Å; L1248-L1252 WeakPolarHBondContact O-CB 3.45Å; L1248-L1252 WeakPolarHBondContact O-CG 3.18Å; L1248-L1252 PolarHBondContact O-N 2.8Å |
| 1253 | Y | 38.1 | Very low | 38.9 | Very low | 75 Ų | 75 | 79 Ų | 79 | 29% | 0.294 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -100.6 | 136.6 | 177.6 | -56.4 | -65.4 | 0 | 0 | 0 | 110.5 | C1249 V1261 | C1249-Y1253 HydrophobicContact CB-CD2 4.01Å; C1249-Y1253 HydrophobicContact CB-CE2 4.29Å; C1249-Y1253 PolarHBondContact O-N 3.46Å; Y1253-V1261 HydrophobicContact CD2-CG2 3.85Å; Y1253-V1261 HydrophobicContact CE2-CG2 4.4Å; Y1253-V1261 HydrophobicContact CG-CG2 4.03Å |
| 1254 | S | 34.9 | Very low | 37.8 | Very low | 55 Ų | 55 | 79.4 Ų | 79.4 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | trans | -70.3 | 160.5 | 171.9 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | N1256 E1257 | S1254-N1256 PolarHBondContact O-N 2.71Å; S1254-E1257 VanDerWaalsContact CB-OE2 3.27Å; S1254-E1257 WeakPolarHBondContact CB-OE2 3.48Å; S1254-E1257 PolarHBondContact N-OE2 3.42Å; S1254-E1257 PolarHBondContact O-N 3.44Å; S1254-E1257 VanDerWaalsContact O-N 3.13Å; S1254-E1257 WeakPolarHBondContact OG-CG 3.33Å; S1254-E1257 PolarHBondContact OG-OE2 3.33Å | ||
| 1255 | S | 31 | Very low | 37 | Very low | 79 Ų | 79 | 83.5 Ų | 83.5 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -28 | 173.7 | 46.9 | 0 | 0 | 0 | 0 | 113.1 | T1258 | S1255-T1258 VanDerWaalsContact O-CG2 3.28Å; S1255-T1258 WeakPolarHBondContact O-CG2 3.36Å; S1255-T1258 PolarHBondContact O-OG1 2.73Å |
| 1256 | N | 32.2 | Very low | 35.8 | Very low | 137 Ų | 137 | 87.2 Ų | 87.2 | 73% | 0.733 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -11.8 | -172 | -58.6 | 17 | 0 | 0 | 0 | 112.4 | S1254 | S1254-N1256 PolarHBondContact O-N 2.71Š|
| 1257 | E | 33.3 | Very low | 34.7 | Very low | 81 Ų | 81 | 89 Ų | 89 | 38% | 0.379 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -96.1 | -1.9 | 175 | -68.3 | 162.5 | 116.9 | 0 | 0 | 113 | S1254 S1259 N1260 | S1254-E1257 VanDerWaalsContact CB-OE2 3.27Å; S1254-E1257 WeakPolarHBondContact CB-OE2 3.48Å; S1254-E1257 PolarHBondContact N-OE2 3.42Å; S1254-E1257 PolarHBondContact O-N 3.44Å; S1254-E1257 VanDerWaalsContact O-N 3.13Å; S1254-E1257 WeakPolarHBondContact OG-CG 3.33Å; S1254-E1257 PolarHBondContact OG-OE2 3.33Å; E1257-S1259 PolarHBondContact O-N 3.44Å; E1257-S1259 VanDerWaalsContact O-N 3.07Å; E1257-N1260 PolarHBondContact O-N 3.48Å |
| 1258 | T | 29.1 | Very low | 33.7 | Very low | 79 Ų | 79 | 92.4 Ų | 92.4 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.1 | -22.9 | -177.5 | 53.5 | 0 | 0 | 0 | 0 | 114 | S1255 N1260 V1261 H1262 | S1255-T1258 VanDerWaalsContact O-CG2 3.28Å; S1255-T1258 WeakPolarHBondContact O-CG2 3.36Å; S1255-T1258 PolarHBondContact O-OG1 2.73Å; T1258-N1260 VanDerWaalsContact C-N 3.32Å; T1258-N1260 PolarHBondContact O-N 2.9Å; T1258-V1261 PolarHBondContact O-N 3.08Å; T1258-H1262 PolarHBondContact O-N 3.45Å |
| 1259 | S | 28.9 | Very low | 32.5 | Very low | 79 Ų | 79 | 96.5 Ų | 96.5 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.5 | -36.2 | 171.7 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | E1257 | E1257-S1259 PolarHBondContact O-N 3.44Å; E1257-S1259 VanDerWaalsContact O-N 3.07Å |
| 1260 | N | 29.2 | Very low | 31.4 | Very low | 94 Ų | 94 | 106.8 Ų | 106.8 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -79.5 | -32.4 | 177.2 | -75.8 | -40 | 0 | 0 | 0 | 112.4 | E1257 T1258 H1262 R1263 I1264 | E1257-N1260 PolarHBondContact O-N 3.48Å; T1258-N1260 VanDerWaalsContact C-N 3.32Å; T1258-N1260 PolarHBondContact O-N 2.9Å; N1260-H1262 PolarHBondContact O-N 2.87Å; N1260-R1263 PolarHBondContact O-N 3.32Å; N1260-I1264 PolarHBondContact O-N 2.83Å |
| 1261 | V | 30.5 | Very low | 30.5 | Very low | 33 Ų | 33 | 110.2 Ų | 110.2 | 20% | 0.2 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -59.1 | -34.8 | 173.4 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | Y1253 T1258 R1263 I1264 T1265 | Y1253-V1261 HydrophobicContact CD2-CG2 3.85Å; Y1253-V1261 HydrophobicContact CE2-CG2 4.4Å; Y1253-V1261 HydrophobicContact CG-CG2 4.03Å; T1258-V1261 PolarHBondContact O-N 3.08Å; V1261-R1263 VanDerWaalsContact C-N 3.25Å; V1261-R1263 PolarHBondContact O-N 3.22Å; V1261-I1264 PolarHBondContact O-N 3.07Å; V1261-T1265 PolarHBondContact O-N 3.41Å; V1261-T1265 PolarHBondContact O-OG1 3.32Å |
| 1262 | H | 29.1 | Very low | 29.8 | Very low | 130 Ų | 130 | 113.8 Ų | 113.8 | 60% | 0.602 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.2 | -12.8 | 174 | -109.5 | 65 | 0 | 0 | 0 | 115.7 | T1258 N1260 K1266 | T1258-H1262 PolarHBondContact O-N 3.45Å; N1260-H1262 PolarHBondContact O-N 2.87Å; H1262-K1266 WeakPolarHBondContact O-CG 3.29Å |
| 1263 | R | 27 | Very low | 29 | Very low | 186 Ų | 186 | 119.1 Ų | 119.1 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -91.7 | -37 | 169.8 | -78.8 | -178.1 | 168.2 | 173.9 | -3.3 | 112.2 | N1260 V1261 K1266 | N1260-R1263 PolarHBondContact O-N 3.32Å; V1261-R1263 VanDerWaalsContact C-N 3.25Å; V1261-R1263 PolarHBondContact O-N 3.22Å; R1263-K1266 PolarHBondContact O-N 2.84Å |
| 1264 | I | 29.5 | Very low | 28.3 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 60% | 0.595 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.7 | -35.8 | -176.4 | -62.3 | 172.9 | 0 | 0 | 0 | 111.3 | N1260 V1261 K1266 | N1260-I1264 PolarHBondContact O-N 2.83Å; V1261-I1264 PolarHBondContact O-N 3.07Å; I1264-K1266 VanDerWaalsContact C-N 3.32Å; I1264-K1266 PolarHBondContact O-N 2.83Å |
| 1265 | T | 31.7 | Very low | 27.8 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 64% | 0.638 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -9.9 | 177.3 | 53.9 | 0 | 0 | 0 | 0 | 114.8 | V1261 | V1261-T1265 PolarHBondContact O-N 3.41Å; V1261-T1265 PolarHBondContact O-OG1 3.32Å |
| 1266 | K | 29.1 | Very low | 27.4 | Very low | 161 Ų | 161 | 126 Ų | 126 | 70% | 0.7 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -16 | 179.8 | -80.4 | -171 | 173.3 | -173.1 | 0 | 115 | H1262 R1263 I1264 | H1262-K1266 WeakPolarHBondContact O-CG 3.29Å; R1263-K1266 PolarHBondContact O-N 2.84Å; I1264-K1266 VanDerWaalsContact C-N 3.32Å; I1264-K1266 PolarHBondContact O-N 2.83Å |
| 1267 | N | 27.5 | Very low | 27.1 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 72% | 0.722 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -109.2 | 11 | -165.7 | -77.4 | 15.4 | 0 | 0 | 0 | 115.7 | ||
| 1268 | N | 27 | Very low | 26.6 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -130.7 | 99.2 | 172 | -87.8 | -49.4 | 0 | 0 | 0 | 110.5 | ||
| 1269 | S | 25.5 | Very low | 26.4 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | trans | -90.5 | 109.4 | -171.3 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1270 | W | 23.4 | Very low | 26.1 | Very low | 257 Ų | 257 | 134 Ų | 134 | 97% | 0.973 | 69% | 0.689 | S | S | * | * | trans | -126.1 | 85.1 | 151.8 | -86.4 | 74.2 | 0 | 0 | 0 | 107.8 | ||||
| 1271 | N | 24.2 | Very low | 25.8 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -85.2 | 173.1 | 169.3 | -83.3 | -30.9 | 0 | 0 | 0 | 110.2 | ||||
| 1272 | I | 24.5 | Very low | 25.6 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | trans | 98.3 | 109.3 | -168.2 | -59.9 | 162.2 | 0 | 0 | 0 | 110.4 | ||||
| 1273 | L | 23.3 | Very low | 25.2 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 71% | 0.707 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -151.8 | 72.1 | -7 | -150.8 | 151.3 | 0 | 0 | 0 | 110.8 | ||
| 1274 | L | 24.3 | Very low | 25 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -105.5 | 79.3 | 170.4 | -91.6 | 167.6 | 0 | 0 | 0 | 109.6 | ||||
| 1275 | S | 22.7 | Very low | 24.6 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 49% | 0.49 | 75% | 0.745 | S | S | . | * | trans | -151 | 140.4 | -177.6 | 51.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1276 | N | 23.9 | Very low | 24.1 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 73.9 | 113.2 | -171.2 | -43.1 | -17 | 0 | 0 | 0 | 112 | ||
| 1277 | H | 26.1 | Very low | 23.7 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | cis | -119.5 | 134.2 | -2 | -78 | -103.9 | 0 | 0 | 0 | 111.7 | ||||
| 1278 | L | 22.1 | Very low | 23.6 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -122.8 | 119.7 | 157.8 | -165 | 89.8 | 0 | 0 | 0 | 106.4 | T1280 | L1278-T1280 PolarHBondContact O-N 2.87Å; L1278-T1280 VanDerWaalsContact O-N 3.07Å | ||
| 1279 | P | 24.1 | Very low | 23.6 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | trans | -65.3 | 105.1 | 161.8 | -19.3 | 33.3 | 0 | 0 | 0 | 108.2 | ||||
| 1280 | T | 22.5 | Very low | 23.5 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | trans | -67.6 | 171.3 | 158.4 | 29.6 | 0 | 0 | 0 | 0 | 110.5 | L1278 | L1278-T1280 PolarHBondContact O-N 2.87Å; L1278-T1280 VanDerWaalsContact O-N 3.07Å | ||
| 1281 | D | 24.8 | Very low | 23.4 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | 75.2 | 137.1 | 178.7 | -45.8 | -47.6 | 0 | 0 | 0 | 113 | ||||
| 1282 | V | 24.5 | Very low | 23.4 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | cis | -115.9 | 153.8 | 19.3 | 171.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1283 | K | 22.1 | Very low | 23.3 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | -106.5 | 166 | 173.9 | -55.6 | 168.2 | -174.9 | 153.6 | 0 | 111.2 | ||||
| 1284 | Q | 22.1 | Very low | 23.2 | Very low | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 62.7 | 92.5 | 148.9 | -69.9 | 159 | -84.7 | 0 | 0 | 119.1 | ||||
| 1285 | S | 21.2 | Very low | 23.1 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -173.9 | 157.6 | 137.6 | 28.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1286 | Y | 20.7 | Very low | 23.3 | Very low | 217 Ų | 217 | 137.7 Ų | 137.7 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | cis | 154.9 | 130.7 | -24.7 | -105.3 | -58.3 | 0 | 0 | 0 | 104.6 | ||||
| 1287 | A | 22.1 | Very low | 23.2 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 67.1 | 143.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1288 | T | 23.9 | Very low | 23 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -84.5 | 159.5 | 156 | 44.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1289 | P | 27.7 | Very low | 22.9 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | -153.9 | -157.5 | 64.8 | 44 | -21.3 | 0 | 0 | 0 | 116.7 | |||||
| 1290 | S | 23 | Very low | 22.9 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -62.4 | 145.3 | -174.6 | 50.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1291 | N | 22.6 | Very low | 23.1 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | -174.3 | 170.8 | 105 | -103.5 | 0.6 | 0 | 0 | 0 | 113.5 | |||||
| 1292 | T | 23.4 | Very low | 23.1 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -89.3 | 133.6 | 177.3 | 47.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1293 | E | 21.5 | Very low | 23.1 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 95% | 0.949 | 78% | 0.78 | S | S | * | * | trans | -161 | 171.3 | 135.4 | -124.7 | 172.8 | -150.3 | 0 | 0 | 110.8 | ||||
| 1294 | A | 22.7 | Very low | 23.1 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -125.2 | 126.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1295 | L | 22.6 | Very low | 23.3 | Very low | 183 Ų | 183 | 133 Ų | 133 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | trans | -160.8 | 161 | 152.2 | -108.3 | 162 | 0 | 0 | 0 | 109.9 | ||||
| 1296 | A | 26.4 | Very low | 23.3 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | -93.8 | 179.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1297 | L | 20.8 | Very low | 23.5 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 101.2 | 91.9 | 169.9 | -58.2 | 168.2 | 0 | 0 | 0 | 118.4 | ||||
| 1298 | S | 21.7 | Very low | 23.5 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | 78.6 | 158 | 121.9 | 79.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1299 | S | 21.4 | Very low | 23.5 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 71.4 | 147.2 | 165 | 89.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1300 | T | 22.7 | Very low | 23.3 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | cis | -151.1 | 180 | -30.6 | -5.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1301 | S | 26.7 | Very low | 23.4 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 57% | 0.566 | 76% | 0.759 | S | S | * | * | trans | -71.8 | 160.2 | 173.3 | -166.4 | 0 | 0 | 0 | 0 | 113.1 | Y1303 | S1301-Y1303 PolarHBondContact OG-N 3.1Š| ||
| 1302 | P | 25.2 | Very low | 23.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | -125.8 | 140.6 | 109.9 | 34.8 | -29.8 | 0 | 0 | 0 | 111 | |||||
| 1303 | Y | 24.5 | Very low | 23.4 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | cis | 53.8 | 86.4 | 20.5 | -90.8 | -62.3 | 0 | 0 | 0 | 114 | S1301 T1305 | S1301-Y1303 PolarHBondContact OG-N 3.1Å; Y1303-T1305 HydrophobicContact CD1-CG2 3.66Å; Y1303-T1305 HydrophobicContact CE1-CG2 4.24Å; Y1303-T1305 HydrophobicContact CG-CG2 4.27Å; Y1303-T1305 PolarHBondContact O-N 3.44Å; Y1303-T1305 VanDerWaalsContact O-N 3.11Å | ||
| 1304 | I | 22.9 | Very low | 23.5 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | trans | -76 | 83.7 | 148.3 | -60.6 | 179.5 | 0 | 0 | 0 | 106.6 | ||||
| 1305 | T | 25.8 | Very low | 23.5 | Very low | 102 Ų | 102 | 132 Ų | 132 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 119.7 | 158.1 | 41.4 | 0 | 0 | 0 | 0 | 108.3 | Y1303 | Y1303-T1305 HydrophobicContact CD1-CG2 3.66Å; Y1303-T1305 HydrophobicContact CE1-CG2 4.24Å; Y1303-T1305 HydrophobicContact CG-CG2 4.27Å; Y1303-T1305 PolarHBondContact O-N 3.44Å; Y1303-T1305 VanDerWaalsContact O-N 3.11Å |
| 1306 | C | 20.6 | Very low | 23.5 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 152.6 | 152.1 | -125.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1307 | P | 24.7 | Very low | 23.3 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 167.6 | -168.4 | 33.1 | -36.9 | 0 | 0 | 0 | 111.9 | ||
| 1308 | T | 23.9 | Very low | 23.4 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 71% | 0.714 | S | S | * | * | cis | -150.5 | 161.4 | 36.2 | -34.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1309 | Y | 22.5 | Very low | 23.5 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 71% | 0.714 | 71% | 0.708 | S | S | * | * | trans | -6.6 | 134 | 170.9 | -76 | -156.2 | 0 | 0 | 0 | 119.3 | ||||
| 1310 | N | 24.9 | Very low | 23.7 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | cis | 71.8 | 145 | 39.3 | -162.9 | 8.2 | 0 | 0 | 0 | 113.9 | ||||
| 1311 | K | 25 | Very low | 23.9 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | trans | 75.7 | 141 | 174 | -54.3 | -176 | -177.5 | 179.4 | 0 | 114.6 | ||||
| 1312 | N | 22.9 | Very low | 23.8 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 65% | 0.652 | 71% | 0.714 | S | S | * | * | cis | -168.1 | 178.8 | -6.6 | -118 | 0.1 | 0 | 0 | 0 | 111.4 | ||||
| 1313 | I | 23.1 | Very low | 23.8 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | 48.7 | 92.3 | 142.2 | -64.7 | 163.2 | 0 | 0 | 0 | 114.6 | ||||
| 1314 | S | 22.5 | Very low | 23.9 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | 68.9 | 139.1 | 68.9 | 84.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1315 | K | 22 | Very low | 24 | Very low | 196 Ų | 196 | 127 Ų | 127 | 85% | 0.852 | 70% | 0.695 | S | S | * | * | trans | 71.5 | 157.1 | 173.8 | -57.9 | -178 | 172.2 | -177.1 | 0 | 115.7 | ||||
| 1316 | V | 23.3 | Very low | 24 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | trans | 67.7 | 122.1 | 156.2 | 162.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1317 | E | 22.3 | Very low | 24.3 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 62% | 0.617 | 70% | 0.695 | S | S | * | * | cis | -166.1 | -165.3 | -17.4 | -131.4 | 176.7 | -178.2 | 0 | 0 | 108.8 | ||||
| 1318 | K | 23.7 | Very low | 24.3 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | trans | 3.4 | 141.8 | 137.5 | -59.4 | 163 | -162.1 | 148.7 | 0 | 116.5 | ||||
| 1319 | S | 23.5 | Very low | 24.4 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | cis | 170.7 | -179 | 3.9 | 50.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1320 | N | 24.8 | Very low | 24.5 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | trans | 57.1 | 93.4 | 147.6 | -60.6 | -2.4 | 0 | 0 | 0 | 117.3 | ||||
| 1321 | G | 26.1 | Very low | 24.5 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 69% | 0.687 | S | S | * | * | 91.6 | -179.2 | 122 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1322 | M | 25.3 | Very low | 24.5 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | cis | -151.7 | 154.3 | -5.6 | -120.7 | 160.2 | 90.3 | 0 | 0 | 109.7 | ||||
| 1323 | D | 26.4 | Very low | 24.6 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 58% | 0.578 | 69% | 0.688 | S | S | * | * | trans | 65 | 128.7 | 147.4 | -54.4 | -15.3 | 0 | 0 | 0 | 119.9 | ||||
| 1324 | D | 25.5 | Very low | 24.7 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | 79.9 | 143.2 | 120.4 | -73.5 | 14.1 | 0 | 0 | 0 | 120.7 | |||||
| 1325 | V | 25.8 | Very low | 24.8 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 59% | 0.594 | 69% | 0.691 | S | S | * | * | cis | -160.7 | 172.2 | -1.6 | 101.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1326 | N | 25.7 | Very low | 24.9 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | trans | -8 | 139.5 | 154.3 | -36.5 | -43.6 | 0 | 0 | 0 | 115.5 | ||||
| 1327 | S | 25.7 | Very low | 24.9 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | -162.8 | 131.3 | 64.4 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1328 | S | 25 | Very low | 25 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | 67.5 | 129.1 | 61.4 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1329 | K | 26.9 | Very low | 25 | Very low | 180 Ų | 180 | 131.1 Ų | 131.1 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | 73 | 151.5 | 160.2 | -72.2 | 169.8 | -175.3 | 177.6 | 0 | 116.3 | ||||
| 1330 | D | 24.5 | Very low | 25.1 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | cis | -159.6 | -174.6 | -1 | -129.4 | -34.1 | 0 | 0 | 0 | 112.4 | ||||
| 1331 | I | 25.2 | Very low | 25.1 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 65% | 0.646 | 70% | 0.698 | S | S | * | * | trans | 52.9 | 91 | 143.6 | -68.8 | 160.3 | 0 | 0 | 0 | 114.1 | ||||
| 1332 | S | 24.1 | Very low | 25 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | 61.6 | 154.2 | 75.2 | 86.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1333 | S | 24.7 | Very low | 25 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | trans | 51.4 | 114.9 | 160.1 | 56.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1334 | Q | 26.3 | Very low | 25.1 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | -164 | 123.5 | 90.1 | -98.1 | -176.5 | -1.4 | 0 | 0 | 113.8 | |||||
| 1335 | Q | 24.7 | Very low | 25.1 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 62% | 0.621 | 70% | 0.702 | S | S | * | * | 60.9 | 107.1 | 127.3 | -64.2 | -177.5 | -92.2 | 0 | 0 | 121.4 | |||||
| 1336 | Q | 23.2 | Very low | 25.1 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | 60.8 | 115.5 | 108.3 | -65.2 | 163.1 | -18.8 | 0 | 0 | 120.1 | |||||
| 1337 | R | 24.2 | Very low | 25.1 | Very low | 231 Ų | 231 | 134.1 Ų | 134.1 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | 44.3 | 80.7 | 118.9 | -57.3 | 179.5 | 179.6 | 178 | -0.4 | 117.9 | |||||
| 1338 | Y | 24.4 | Very low | 25.3 | Very low | 208 Ų | 208 | 134.1 Ų | 134.1 | 82% | 0.816 | 70% | 0.695 | S | S | * | * | trans | -147.2 | 140.8 | 144.2 | -84.1 | -83.1 | 0 | 0 | 0 | 108.8 | ||||
| 1339 | E | 23.5 | Very low | 25.3 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 66% | 0.659 | 69% | 0.69 | S | S | * | * | cis | -145.8 | 156.8 | -31.4 | -135.5 | -177.7 | 167.5 | 0 | 0 | 111 | ||||
| 1340 | Q | 25.9 | Very low | 25.3 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | trans | -43 | 171.8 | 157.4 | -150.8 | -178.6 | 69.6 | 0 | 0 | 114.7 | ||||
| 1341 | K | 23.6 | Very low | 25.2 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | trans | 78.1 | 69.9 | 165.3 | -55.9 | 163.8 | -173.6 | 151.3 | 0 | 117.5 | ||||
| 1342 | G | 24.2 | Very low | 25.1 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 87% | 0.866 | 67% | 0.672 | S | S | * | * | trans | 69.7 | -152.3 | 144.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1343 | A | 25 | Very low | 25 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | cis | -142.2 | 161.9 | -3.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1344 | H | 27.9 | Very low | 24.9 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | trans | 51.1 | 113.8 | 161.2 | -78.5 | -63.8 | 0 | 0 | 0 | 119.4 | ||||
| 1345 | N | 26.3 | Very low | 24.6 | Very low | 119 Ų | 119 | 129 Ų | 129 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | 78.5 | 109.1 | 138.1 | -50 | -6.7 | 0 | 0 | 0 | 114 | ||||
| 1346 | S | 25.3 | Very low | 24.5 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 61% | 0.608 | 68% | 0.684 | S | S | * | * | 53.9 | 130.5 | 60.4 | 88.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1347 | L | 25.5 | Very low | 24.5 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | 170.9 | 114.4 | 122.8 | -91.7 | 142.3 | 0 | 0 | 0 | 106.7 | |||||
| 1348 | H | 31.3 | Very low | 24.4 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 50% | 0.5 | 68% | 0.682 | S | S | . | * | cis | -152.6 | 148.6 | -4.7 | -137 | -144.1 | 0 | 0 | 0 | 105.7 | ||||
| 1349 | S | 24 | Very low | 24.3 | Very low | 72 Ų | 72 | 121 Ų | 121 | 50% | 0.503 | 68% | 0.679 | S | S | . | * | 54.3 | 137.5 | 58 | -129.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1350 | L | 26.7 | Very low | 24.3 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 37% | 0.366 | 68% | 0.683 | S | S | . | * | cis | -121.8 | 163.6 | 21.3 | -63.6 | 121.3 | 0 | 0 | 0 | 108.9 | N473 E1352 | N473-L1350 VanDerWaalsContact ND2-CD1 3.34Å; N473-L1350 WeakPolarHBondContact ND2-CD1 3.35Å; L1350-E1352 HydrophobicContact CD2-CG 4.41Å; L1350-E1352 WeakPolarHBondContact CD2-OE1 3.26Å | ||
| 1351 | G | 22.9 | Very low | 24.3 | Very low | 59 Ų | 59 | 117.4 Ų | 117.4 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | cis | 75.1 | 142.9 | 38 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1352 | E | 23.1 | Very low | 24.5 | Very low | 153 Ų | 153 | 115.6 Ų | 115.6 | 72% | 0.715 | 69% | 0.694 | S | S | * | * | cis | -139.7 | 138.4 | 23.9 | -80.4 | 152.1 | 172 | 0 | 0 | 111.1 | L1350 | L1350-E1352 HydrophobicContact CD2-CG 4.41Å; L1350-E1352 WeakPolarHBondContact CD2-OE1 3.26Å | ||
| 1353 | E | 22.3 | Very low | 24.6 | Very low | 164 Ų | 164 | 114.8 Ų | 114.8 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | 45.9 | 158.9 | 104.1 | -120.8 | 179.6 | -130.2 | 0 | 0 | 120.8 | |||||
| 1354 | L | 21.8 | Very low | 24.5 | Very low | 139 Ų | 139 | 118.9 Ų | 118.9 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | trans | 61.7 | 94.6 | 156 | -60.7 | 170.2 | 0 | 0 | 0 | 118.7 | ||||
| 1355 | S | 21 | Very low | 24.3 | Very low | 97 Ų | 97 | 119.3 Ų | 119.3 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | 125.4 | 134.3 | 94.6 | 71.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 1356 | F | 21.5 | Very low | 24.2 | Very low | 178 Ų | 178 | 121 Ų | 121 | 78% | 0.781 | 69% | 0.69 | S | S | * | * | trans | 59.4 | 107.8 | 134.7 | -76.7 | -126 | 0 | 0 | 0 | 120.5 | ||||
| 1357 | N | 23.4 | Very low | 24.1 | Very low | 125 Ų | 125 | 121.5 Ų | 121.5 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | trans | 83.5 | 130.7 | 130.1 | -59.2 | -9.8 | 0 | 0 | 0 | 122 | ||||
| 1358 | N | 22.1 | Very low | 24 | Very low | 151 Ų | 151 | 120.5 Ų | 120.5 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | trans | 80 | 118.4 | 141.6 | -68.9 | -11 | 0 | 0 | 0 | 122.8 | ||||
| 1359 | A | 22.7 | Very low | 23.8 | Very low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | 96.1 | 138.6 | 126.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1360 | S | 23.6 | Very low | 23.8 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | 57.7 | 129.3 | 165.4 | 47.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1361 | S | 26.3 | Very low | 23.7 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | cis | 86.8 | 100.8 | 16.5 | 94.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1362 | S | 26.8 | Very low | 23.9 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 88% | 0.881 | 74% | 0.743 | S | S | * | * | trans | -136.9 | 49.5 | 163.5 | 49.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1363 | S | 26.3 | Very low | 23.9 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 48% | 0.476 | 75% | 0.752 | S | S | . | * | trans | -59.8 | 135.9 | 175.5 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | K1365 | S1363-K1365 PolarHBondContact O-N 3.21Å; S1363-K1365 WeakPolarHBondContact OG-CE 3.43Å | ||
| 1364 | I | 23.7 | Very low | 24 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | -82 | 107.8 | 147.3 | -64 | -179.8 | 0 | 0 | 0 | 107.2 | ||||
| 1365 | K | 23.6 | Very low | 24.1 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 74% | 0.735 | 76% | 0.759 | S | S | * | * | trans | -89.8 | 114.6 | -178.9 | -80.5 | 158.8 | 178.9 | 159.6 | 0 | 110.8 | S1363 | S1363-K1365 PolarHBondContact O-N 3.21Å; S1363-K1365 WeakPolarHBondContact OG-CE 3.43Å | ||
| 1366 | I | 24.4 | Very low | 24.2 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -95.9 | 130.6 | 152.5 | -61.3 | 179.7 | 0 | 0 | 0 | 106.1 | ||||
| 1367 | P | 22.9 | Very low | 24.4 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -69.2 | 149.5 | -163 | 25.5 | -35.3 | 0 | 0 | 0 | 113.6 | I1369 | P1367-I1369 PolarHBondContact O-N 3.25Å; P1367-I1369 VanDerWaalsContact O-N 3.16Å | ||
| 1368 | P | 24.4 | Very low | 24.4 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -67 | 113 | 170.4 | 28.8 | -33 | 0 | 0 | 0 | 109.6 | ||||
| 1369 | I | 25.9 | Very low | 24.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 127.8 | 170.9 | -61 | 176 | 0 | 0 | 0 | 107.5 | P1367 | P1367-I1369 PolarHBondContact O-N 3.25Å; P1367-I1369 VanDerWaalsContact O-N 3.16Å |
| 1370 | P | 23.9 | Very low | 24.7 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 147.6 | -171.9 | 27.2 | -35.3 | 0 | 0 | 0 | 112.1 | ||
| 1371 | P | 26.1 | Very low | 24.8 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 135.2 | 175.9 | 27.4 | -34.2 | 0 | 0 | 0 | 110.8 | R1373 | P1371-R1373 PolarHBondContact O-N 3.02Š|
| 1372 | P | 25.2 | Very low | 24.7 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.8 | 168.8 | -23.2 | 34.1 | 0 | 0 | 0 | 110.4 | R1374 | P1372-R1374 PolarHBondContact O-N 3.5Å; P1372-R1374 VanDerWaalsContact O-N 3.14Å |
| 1373 | R | 24.7 | Very low | 24.6 | Very low | 240 Ų | 240 | 139.4 Ų | 139.4 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | trans | -64.2 | 115.5 | -174 | -66.1 | -176.4 | -178.8 | -172.3 | -0.1 | 110.9 | P1371 L1375 | P1371-R1373 PolarHBondContact O-N 3.02Å; R1373-L1375 PolarHBondContact O-N 3.25Å | ||
| 1374 | R | 24.7 | Very low | 24.6 | Very low | 204 Ų | 204 | 143 Ų | 143 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -64 | 120.4 | 162.7 | 179.3 | -174.2 | -81.6 | -159 | -4.2 | 107.8 | P1372 T1376 | P1372-R1374 PolarHBondContact O-N 3.5Å; P1372-R1374 VanDerWaalsContact O-N 3.14Å; R1374-T1376 VanDerWaalsContact C-N 3.32Å; R1374-T1376 HydrophobicContact CG-CG2 4.2Å; R1374-T1376 PolarHBondContact O-N 3.46Å | ||
| 1375 | L | 23.3 | Very low | 24.6 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | -74.7 | 85.9 | 171 | -77.5 | 169.7 | 0 | 0 | 0 | 109.7 | R1373 | R1373-L1375 PolarHBondContact O-N 3.25Š| ||
| 1376 | T | 23.8 | Very low | 24.7 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | trans | -80.3 | 113.9 | 161.6 | 45.3 | 0 | 0 | 0 | 0 | 108.3 | R1374 S1378 | R1374-T1376 VanDerWaalsContact C-N 3.32Å; R1374-T1376 HydrophobicContact CG-CG2 4.2Å; R1374-T1376 PolarHBondContact O-N 3.46Å; T1376-S1378 PolarHBondContact O-N 3.04Å | ||
| 1377 | I | 25 | Very low | 24.7 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -70.7 | 113.6 | 169.3 | -61.5 | 174.8 | 0 | 0 | 0 | 107.2 | ||||
| 1378 | S | 23 | Very low | 24.9 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -95.6 | 101.2 | 173.9 | 53.2 | 0 | 0 | 0 | 0 | 109.6 | T1376 S1380 | T1376-S1378 PolarHBondContact O-N 3.04Å; S1378-S1380 PolarHBondContact O-N 2.99Å | ||
| 1379 | N | 27.3 | Very low | 24.9 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -79.1 | 101.9 | 157.9 | -75.4 | 9 | 0 | 0 | 0 | 107.3 | ||||
| 1380 | S | 24.5 | Very low | 24.9 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -90.1 | 164 | 164.8 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | S1378 | S1378-S1380 PolarHBondContact O-N 2.99Š| ||
| 1381 | E | 25 | Very low | 25 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 95.1 | 167.2 | -60.4 | 170.6 | -166.7 | 0 | 0 | 116.6 | ||||
| 1382 | L | 24.9 | Very low | 24.9 | Very low | 135 Ų | 135 | 153.9 Ų | 153.9 | 71% | 0.707 | 78% | 0.775 | S | S | * | * | -169.5 | 133.7 | 112.5 | -99 | 164.4 | 0 | 0 | 0 | 112.5 | |||||
| 1383 | V | 24.4 | Very low | 24.8 | Very low | 115 Ų | 115 | 152 Ų | 152 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | trans | 65 | 90.3 | 159.8 | -166.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1384 | N | 25.5 | Very low | 24.8 | Very low | 144 Ų | 144 | 148 Ų | 148 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | 55.9 | 124.2 | 121.3 | -54.1 | -5.7 | 0 | 0 | 0 | 123.5 | |||||
| 1385 | D | 24.1 | Very low | 24.7 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 60% | 0.599 | 75% | 0.751 | S | S | * | * | trans | 3.9 | 128.6 | 137.5 | -76.8 | -71 | 0 | 0 | 0 | 119.3 | K1387 | D1385-K1387 WeakPolarHBondContact OD1-CE 2.98Š| ||
| 1386 | Y | 25.6 | Very low | 24.8 | Very low | 239 Ų | 239 | 143.4 Ų | 143.4 | 94% | 0.937 | 74% | 0.74 | S | S | * | * | -139.3 | 127 | 111.6 | -114.4 | -79.5 | 0 | 0 | 0 | 111.8 | |||||
| 1387 | K | 25.5 | Very low | 24.9 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | trans | -86.4 | 149.4 | 177.7 | -60.6 | 165.1 | -174.8 | 161.7 | 0 | 110.6 | D1385 | D1385-K1387 WeakPolarHBondContact OD1-CE 2.98Š| ||
| 1388 | K | 26.1 | Very low | 24.9 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | -172.9 | 126.6 | 113.3 | -101.4 | 158.5 | -177.3 | 177.8 | 0 | 113.2 | |||||
| 1389 | D | 25 | Very low | 25.1 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | 22.6 | 125 | 120.3 | -39.3 | -42.9 | 0 | 0 | 0 | 115.9 | |||||
| 1390 | S | 26.6 | Very low | 25 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | -169.3 | 152.2 | 68.4 | 41.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1391 | T | 24.6 | Very low | 25.1 | Very low | 139 Ų | 139 | 144 Ų | 144 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | -86.9 | 110.3 | 170.1 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1392 | R | 24 | Very low | 25.5 | Very low | 231 Ų | 231 | 141.5 Ų | 141.5 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | -154.5 | 115 | 156.7 | -98.3 | -163.5 | 158.4 | 127.5 | -5.9 | 107.2 | ||||
| 1393 | S | 23.4 | Very low | 25.5 | Very low | 81 Ų | 81 | 139.9 Ų | 139.9 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | 83.7 | 132.7 | 67.2 | 75 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1394 | E | 24.2 | Very low | 25.6 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 68.7 | 152.3 | 166.2 | -60 | -165.8 | 125.6 | 0 | 0 | 114.9 | ||||
| 1395 | K | 24.2 | Very low | 25.5 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | cis | -172.3 | 164.1 | -29.7 | -118.8 | 171.5 | -177.6 | 159 | 0 | 107.1 | ||||
| 1396 | D | 24.6 | Very low | 25.6 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | trans | 52.3 | 133.3 | 144.5 | -53.4 | -16.5 | 0 | 0 | 0 | 121.4 | ||||
| 1397 | N | 25.8 | Very low | 25.6 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | 79.1 | 104.2 | 148.4 | -55.5 | -22.8 | 0 | 0 | 0 | 120.5 | ||||
| 1398 | S | 25.3 | Very low | 25.6 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | 2.3 | 140.8 | 123.1 | 59.1 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1399 | I | 26.4 | Very low | 25.7 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 82% | 0.821 | 75% | 0.75 | S | S | * | * | -164.2 | 165.6 | 115.4 | -99.9 | 153.7 | 0 | 0 | 0 | 110.1 | |||||
| 1400 | N | 25.1 | Very low | 25.9 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -64.7 | 165.8 | -174 | -48.1 | -53.8 | 0 | 0 | 0 | 114.2 | ||||
| 1401 | G | 27 | Very low | 26.1 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | -77.8 | -147.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1402 | P | 34.2 | Very low | 26.4 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | cis | -136.7 | -166.4 | 7.8 | 44.2 | -26.8 | 0 | 0 | 0 | 114.4 | ||||
| 1403 | A | 23.6 | Very low | 26.7 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | 73.8 | 152.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1404 | A | 26.7 | Very low | 27.1 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -60.6 | 162 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1405 | I | 24.6 | Very low | 27.5 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 82% | 0.821 | 74% | 0.738 | S | S | * | * | trans | -171 | 131.8 | 138.3 | -103.5 | 156.4 | 0 | 0 | 0 | 111.6 | ||||
| 1406 | V | 25 | Very low | 27.9 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | trans | 46.1 | 102.7 | 143.8 | -177.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1407 | N | 25.6 | Very low | 28.3 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | 86 | 145.1 | 78.8 | -65 | -6.7 | 0 | 0 | 0 | 114.8 | |||||
| 1408 | N | 26.3 | Very low | 28.6 | Very low | 160 Ų | 160 | 128 Ų | 128 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | 68.3 | 141.7 | 163.7 | -54.3 | -2.8 | 0 | 0 | 0 | 116.5 | ||||
| 1409 | G | 28.3 | Very low | 28.8 | Very low | 58 Ų | 58 | 128.6 Ų | 128.6 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | cis | -162.3 | -165.7 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1410 | D | 28.8 | Very low | 29 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | 26.6 | 124.7 | 127.6 | -32.2 | -32.8 | 0 | 0 | 0 | 115.6 | |||||
| 1411 | D | 31.2 | Very low | 29.3 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | cis | -149.7 | 139.3 | 39.1 | -85.8 | -61.1 | 0 | 0 | 0 | 109.4 | ||||
| 1412 | N | 30.1 | Very low | 29.9 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | 67.1 | 134.3 | 88.5 | -65.9 | -42.7 | 0 | 0 | 0 | 115.6 | |||||
| 1413 | D | 30.9 | Very low | 29.8 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | 64.6 | 148.7 | 151.3 | -47.1 | -11.9 | 0 | 0 | 0 | 118.4 | ||||
| 1414 | D | 31.9 | Very low | 30.3 | Very low | 133 Ų | 133 | 125 Ų | 125 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | cis | -162.7 | -173.9 | -17.5 | -112.4 | -23.7 | 0 | 0 | 0 | 109.1 | ||||
| 1415 | D | 32.5 | Very low | 30.9 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 75% | 0.749 | 67% | 0.671 | S | S | * | * | trans | 63.4 | 104.5 | 156.4 | -62.1 | -22.3 | 0 | 0 | 0 | 120.1 | ||||
| 1416 | D | 32.6 | Very low | 31.7 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 80% | 0.802 | 66% | 0.658 | S | S | * | * | 14.4 | 133.5 | 118.4 | -61 | -22.6 | 0 | 0 | 0 | 119.2 | |||||
| 1417 | D | 31.8 | Very low | 32.4 | Very low | 165 Ų | 165 | 121.2 Ų | 121.2 | 88% | 0.882 | 65% | 0.645 | S | S | * | * | -162.7 | 147.9 | 122.9 | -122.3 | -16.1 | 0 | 0 | 0 | 114.9 | |||||
| 1418 | D | 31.9 | Very low | 32.8 | Very low | 147 Ų | 147 | 118.6 Ų | 118.6 | 79% | 0.786 | 63% | 0.63 | S | S | * | * | trans | -57.4 | 141.4 | -163.1 | -86.5 | -26.4 | 0 | 0 | 0 | 121 | ||||
| 1419 | D | 31.2 | Very low | 33.3 | Very low | 112 Ų | 112 | 115.9 Ų | 115.9 | 60% | 0.599 | 61% | 0.611 | S | S | * | * | 37.7 | 111.4 | 121.9 | -138.6 | 15.6 | 0 | 0 | 0 | 120.6 | |||||
| 1420 | N | 29.7 | Very low | 33.6 | Very low | 162 Ų | 162 | 115 Ų | 115 | 87% | 0.866 | 60% | 0.598 | S | S | * | * | trans | -160.4 | 43.6 | 151.6 | -115.4 | -77.2 | 0 | 0 | 0 | 114.7 | S1422 | N1420-S1422 PolarHBondContact O-N 3.39Š| ||
| 1421 | E | 31.3 | Very low | 33.8 | Very low | 90 Ų | 90 | 114.4 Ų | 114.4 | 42% | 0.421 | 59% | 0.591 | S | S | . | * | trans | -70.2 | 103.6 | 171.7 | -157.6 | -161.9 | -136.5 | 0 | 0 | 110.5 | T1425 K1429 | E1421-T1425 HydrophobicContact CG-CG2 3.9Å; E1421-T1425 WeakPolarHBondContact OE1-CG2 3.24Å; E1421-K1429 IonicContact OE1-NZ 2.67Å; E1421-K1429 PolarHBondContact OE1-NZ 2.66Å; E1421-K1429 IonicContact OE2-NZ 3.47Å; E1421-K1429 PolarHBondContact OE2-NZ 2.83Å | ||
| 1422 | S | 38.8 | Very low | 33.7 | Very low | 54 Ų | 54 | 113.2 Ų | 113.2 | 38% | 0.378 | 58% | 0.583 | S | S | . | * | trans | -51.6 | 155.4 | -163.6 | 80 | 0 | 0 | 0 | 0 | 116.2 | N1420 N1424 T1425 R1426 | N1420-S1422 PolarHBondContact O-N 3.39Å; S1422-N1424 PolarHBondContact O-N 2.85Å; S1422-N1424 VanDerWaalsContact O-N 3.12Å; S1422-N1424 PolarHBondContact OG-N 3.5Å; S1422-T1425 WeakPolarHBondContact O-CA 3.39Å; S1422-T1425 WeakPolarHBondContact O-CB 3.37Å; S1422-T1425 PolarHBondContact O-N 3.35Å; S1422-T1425 PolarHBondContact O-OG1 3.1Å; S1422-T1425 PolarHBondContact OG-N 2.86Å; S1422-T1425 PolarHBondContact OG-OG1 2.82Å; S1422-R1426 PolarHBondContact O-N 2.92Å; S1422-R1426 VanDerWaalsContact O-N 3.11Å | ||
| 1423 | E | 33.7 | Very low | 33.6 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.2 | -24.9 | 172.7 | -151 | -161.2 | 156.3 | 0 | 0 | 112.4 | K1427 | E1423-K1427 VanDerWaalsContact CD-CE 3.45Å; E1423-K1427 HydrophobicContact CG-CD 4.46Å; E1423-K1427 VanDerWaalsContact O-CB 3.26Å; E1423-K1427 WeakPolarHBondContact O-CB 3.45Å; E1423-K1427 WeakPolarHBondContact O-CD 3.35Å; E1423-K1427 WeakPolarHBondContact O-CG 3.3Å; E1423-K1427 PolarHBondContact O-N 3.11Å; E1423-K1427 WeakPolarHBondContact OE1-CE 3.23Å; E1423-K1427 IonicContact OE1-NZ 3.48Å; E1423-K1427 PolarHBondContact OE1-NZ 3.1Å; E1423-K1427 IonicContact OE2-NZ 2.77Å; E1423-K1427 PolarHBondContact OE2-NZ 3.26Å |
| 1424 | N | 34.1 | Very low | 33.5 | Very low | 93 Ų | 93 | 115.3 Ų | 115.3 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.6 | -38.6 | 170.4 | -83.2 | -9.8 | 0 | 0 | 0 | 111.9 | S1422 K1427 I1428 | S1422-N1424 PolarHBondContact O-N 2.85Å; S1422-N1424 VanDerWaalsContact O-N 3.12Å; S1422-N1424 PolarHBondContact OG-N 3.5Å; N1424-K1427 CarbonylContact O-C 3.37Å; N1424-K1427 PolarHBondContact O-N 2.91Å; N1424-I1428 WeakPolarHBondContact O-CB 3.09Å; N1424-I1428 WeakPolarHBondContact O-CD1 3.12Å; N1424-I1428 WeakPolarHBondContact O-CG1 3.33Å; N1424-I1428 PolarHBondContact O-N 3.41Å |
| 1425 | T | 39.4 | Very low | 33.3 | Very low | 45 Ų | 45 | 113.7 Ų | 113.7 | 28% | 0.276 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.5 | -39.4 | 176.2 | -33.6 | 0 | 0 | 0 | 0 | 111.1 | E1421 S1422 I1428 K1429 | E1421-T1425 HydrophobicContact CG-CG2 3.9Å; E1421-T1425 WeakPolarHBondContact OE1-CG2 3.24Å; S1422-T1425 WeakPolarHBondContact O-CA 3.39Å; S1422-T1425 WeakPolarHBondContact O-CB 3.37Å; S1422-T1425 PolarHBondContact O-N 3.35Å; S1422-T1425 PolarHBondContact O-OG1 3.1Å; S1422-T1425 PolarHBondContact OG-N 2.86Å; S1422-T1425 PolarHBondContact OG-OG1 2.82Å; T1425-I1428 PolarHBondContact O-N 3.18Å; T1425-K1429 WeakPolarHBondContact O-CB 3.36Å; T1425-K1429 WeakPolarHBondContact O-CG 3.37Å; T1425-K1429 PolarHBondContact O-N 3.47Å |
| 1426 | R | 40.3 | Very low | 33 | Very low | 148 Ų | 148 | 110.6 Ų | 110.6 | 56% | 0.558 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.8 | -41.9 | 171.3 | -60.6 | -173.4 | -171.4 | -171.6 | 1.3 | 111.6 | S1422 A1430 | S1422-R1426 PolarHBondContact O-N 2.92Å; S1422-R1426 VanDerWaalsContact O-N 3.11Å; R1426-A1430 WeakPolarHBondContact O-CB 3.46Å; R1426-A1430 PolarHBondContact O-N 2.8Å |
| 1427 | K | 39.2 | Very low | 32.6 | Very low | 89 Ų | 89 | 112.3 Ų | 112.3 | 39% | 0.387 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.9 | -37.9 | 174.4 | -77.5 | 164.3 | -177.3 | 159.2 | 0 | 112.9 | E1423 N1424 A1430 Q1431 | E1423-K1427 VanDerWaalsContact CD-CE 3.45Å; E1423-K1427 HydrophobicContact CG-CD 4.46Å; E1423-K1427 VanDerWaalsContact O-CB 3.26Å; E1423-K1427 WeakPolarHBondContact O-CB 3.45Å; E1423-K1427 WeakPolarHBondContact O-CD 3.35Å; E1423-K1427 WeakPolarHBondContact O-CG 3.3Å; E1423-K1427 PolarHBondContact O-N 3.11Å; E1423-K1427 WeakPolarHBondContact OE1-CE 3.23Å; E1423-K1427 IonicContact OE1-NZ 3.48Å; E1423-K1427 PolarHBondContact OE1-NZ 3.1Å; E1423-K1427 IonicContact OE2-NZ 2.77Å; E1423-K1427 PolarHBondContact OE2-NZ 3.26Å; N1424-K1427 CarbonylContact O-C 3.37Å; N1424-K1427 PolarHBondContact O-N 2.91Å; K1427-A1430 CarbonylContact O-C 3.59Å; K1427-A1430 PolarHBondContact O-N 2.85Å; K1427-Q1431 VanDerWaalsContact O-CB 3.27Å; K1427-Q1431 WeakPolarHBondContact O-CB 3.17Å; K1427-Q1431 VanDerWaalsContact O-CG 3.27Å; K1427-Q1431 WeakPolarHBondContact O-CG 3.26Å; K1427-Q1431 PolarHBondContact O-N 3.34Å |
| 1428 | I | 35.5 | Very low | 32.2 | Very low | 79 Ų | 79 | 108.2 Ų | 108.2 | 41% | 0.405 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.1 | -47.4 | 177.8 | -71.9 | 163.2 | 0 | 0 | 0 | 110.7 | N1424 T1425 A1430 Q1431 I1432 | N1424-I1428 WeakPolarHBondContact O-CB 3.09Å; N1424-I1428 WeakPolarHBondContact O-CD1 3.12Å; N1424-I1428 WeakPolarHBondContact O-CG1 3.33Å; N1424-I1428 PolarHBondContact O-N 3.41Å; T1425-I1428 PolarHBondContact O-N 3.18Å; I1428-A1430 VanDerWaalsContact C-N 3.27Å; I1428-A1430 PolarHBondContact O-N 3.22Å; I1428-Q1431 PolarHBondContact O-N 3.08Å; I1428-I1432 HydrophobicContact CG2-CD1 3.84Å; I1428-I1432 WeakPolarHBondContact O-CG1 3.35Å; I1428-I1432 PolarHBondContact O-N 3.07Å |
| 1429 | K | 36 | Very low | 31.7 | Very low | 104 Ų | 104 | 113.5 Ų | 113.5 | 45% | 0.452 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -56.1 | -44.3 | 171.6 | -71.7 | 171.6 | -175 | 167.9 | 0 | 110.3 | E1421 T1425 L1433 | E1421-K1429 IonicContact OE1-NZ 2.67Å; E1421-K1429 PolarHBondContact OE1-NZ 2.66Å; E1421-K1429 IonicContact OE2-NZ 3.47Å; E1421-K1429 PolarHBondContact OE2-NZ 2.83Å; T1425-K1429 WeakPolarHBondContact O-CB 3.36Å; T1425-K1429 WeakPolarHBondContact O-CG 3.37Å; T1425-K1429 PolarHBondContact O-N 3.47Å; K1429-L1433 WeakPolarHBondContact O-CB 3.45Å; K1429-L1433 WeakPolarHBondContact O-CG 3.22Å; K1429-L1433 PolarHBondContact O-N 2.92Å; K1429-L1433 VanDerWaalsContact O-N 3.13Å |
| 1430 | A | 35.3 | Very low | 31.3 | Very low | 39 Ų | 39 | 115 Ų | 115 | 32% | 0.322 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.7 | -33.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1426 K1427 I1428 L1433 K1434 | R1426-A1430 WeakPolarHBondContact O-CB 3.46Å; R1426-A1430 PolarHBondContact O-N 2.8Å; K1427-A1430 CarbonylContact O-C 3.59Å; K1427-A1430 PolarHBondContact O-N 2.85Å; I1428-A1430 VanDerWaalsContact C-N 3.27Å; I1428-A1430 PolarHBondContact O-N 3.22Å; A1430-L1433 PolarHBondContact O-N 3.29Å; A1430-K1434 WeakPolarHBondContact O-CB 3.4Å; A1430-K1434 VanDerWaalsContact O-CG 3.26Å; A1430-K1434 WeakPolarHBondContact O-CG 3.33Å; A1430-K1434 PolarHBondContact O-N 2.78Å |
| 1431 | Q | 31.7 | Very low | 31 | Very low | 131 Ų | 131 | 111.2 Ų | 111.2 | 61% | 0.612 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -75.1 | -34.8 | 177.1 | -82.1 | 175.8 | -36.7 | 0 | 0 | 111.8 | K1427 I1428 L1433 K1434 S1435 | K1427-Q1431 VanDerWaalsContact O-CB 3.27Å; K1427-Q1431 WeakPolarHBondContact O-CB 3.17Å; K1427-Q1431 VanDerWaalsContact O-CG 3.27Å; K1427-Q1431 WeakPolarHBondContact O-CG 3.26Å; K1427-Q1431 PolarHBondContact O-N 3.34Å; I1428-Q1431 PolarHBondContact O-N 3.08Å; Q1431-L1433 VanDerWaalsContact C-N 3.3Å; Q1431-K1434 PolarHBondContact O-N 3.06Å; Q1431-S1435 VanDerWaalsContact O-CB 3.23Å; Q1431-S1435 WeakPolarHBondContact O-CB 3.39Å; Q1431-S1435 PolarHBondContact O-N 3.34Å; Q1431-S1435 PolarHBondContact O-OG 3.23Å |
| 1432 | I | 29.4 | Very low | 30.7 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 56% | 0.564 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.3 | -36.8 | 171.9 | -67.5 | 167 | 0 | 0 | 0 | 110.5 | I1428 S1436 | I1428-I1432 HydrophobicContact CG2-CD1 3.84Å; I1428-I1432 WeakPolarHBondContact O-CG1 3.35Å; I1428-I1432 PolarHBondContact O-N 3.07Å; I1432-S1436 PolarHBondContact O-OG 3.5Å |
| 1433 | L | 29.4 | Very low | 30 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 67% | 0.67 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83.5 | -19.1 | 176.5 | -71.3 | 166.3 | 0 | 0 | 0 | 115 | K1429 A1430 Q1431 S1436 | K1429-L1433 WeakPolarHBondContact O-CB 3.45Å; K1429-L1433 WeakPolarHBondContact O-CG 3.22Å; K1429-L1433 PolarHBondContact O-N 2.92Å; K1429-L1433 VanDerWaalsContact O-N 3.13Å; A1430-L1433 PolarHBondContact O-N 3.29Å; Q1431-L1433 VanDerWaalsContact C-N 3.3Å; L1433-S1436 PolarHBondContact O-OG 3.22Å |
| 1434 | K | 28.4 | Very low | 29.6 | Very low | 172 Ų | 172 | 118 Ų | 118 | 75% | 0.748 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -100 | -16.7 | 176.8 | -71.6 | -178.9 | 176.8 | -175.5 | 0 | 114.6 | A1430 Q1431 S1436 | A1430-K1434 WeakPolarHBondContact O-CB 3.4Å; A1430-K1434 VanDerWaalsContact O-CG 3.26Å; A1430-K1434 WeakPolarHBondContact O-CG 3.33Å; A1430-K1434 PolarHBondContact O-N 2.78Å; Q1431-K1434 PolarHBondContact O-N 3.06Å; K1434-S1436 VanDerWaalsContact C-N 3.29Å |
| 1435 | S | 26.6 | Very low | 29.2 | Very low | 99 Ų | 99 | 116.5 Ų | 116.5 | 69% | 0.692 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -6.9 | 172 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | Q1431 | Q1431-S1435 VanDerWaalsContact O-CB 3.23Å; Q1431-S1435 WeakPolarHBondContact O-CB 3.39Å; Q1431-S1435 PolarHBondContact O-N 3.34Å; Q1431-S1435 PolarHBondContact O-OG 3.23Å |
| 1436 | S | 27.5 | Very low | 28.7 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | -3.5 | -177.1 | 31 | 0 | 0 | 0 | 0 | 114.5 | I1432 L1433 K1434 | I1432-S1436 PolarHBondContact O-OG 3.5Å; L1433-S1436 PolarHBondContact O-OG 3.22Å; K1434-S1436 VanDerWaalsContact C-N 3.29Å |
| 1437 | F | 23.4 | Very low | 28 | Very low | 186 Ų | 186 | 122.4 Ų | 122.4 | 82% | 0.816 | 64% | 0.635 | S | S | * | * | trans | -125.8 | 80.4 | 174.9 | -87.5 | -87.9 | 0 | 0 | 0 | 112.4 | ||||
| 1438 | A | 23.4 | Very low | 27.4 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 65% | 0.653 | 64% | 0.644 | S | S | * | * | trans | -129.2 | 107 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | I1440 | A1438-I1440 PolarHBondContact O-N 3.05Š| ||
| 1439 | R | 22.2 | Very low | 27.1 | Very low | 258 Ų | 258 | 126.1 Ų | 126.1 | 97% | 0.974 | 66% | 0.664 | S | S | * | * | trans | -70.5 | 94.8 | 172.8 | -73.1 | -179.6 | 177 | 169.5 | -1.4 | 109.1 | ||||
| 1440 | I | 23.1 | Very low | 26.7 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | trans | -104.1 | 114.3 | 167.3 | -61.1 | 179.7 | 0 | 0 | 0 | 107.6 | A1438 | A1438-I1440 PolarHBondContact O-N 3.05Š| ||
| 1441 | A | 21.8 | Very low | 26.2 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | -66.1 | 132.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1442 | L | 25.7 | Very low | 25.9 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 87% | 0.869 | 70% | 0.696 | S | S | * | * | trans | -133.6 | 65.5 | 167 | -75.9 | 177.6 | 0 | 0 | 0 | 109.5 | ||||
| 1443 | E | 24.8 | Very low | 25.9 | Very low | 175 Ų | 175 | 128.4 Ų | 128.4 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -63.3 | 164.6 | 167.9 | -47.7 | -169.1 | 129.5 | 0 | 0 | 111.7 | ||||
| 1444 | P | 25.5 | Very low | 25.8 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 48% | 0.481 | 70% | 0.698 | S | S | . | * | -123.3 | 101.7 | -70.7 | 29.4 | -13.8 | 0 | 0 | 0 | 109.3 | |||||
| 1445 | A | 25.2 | Very low | 25.7 | Very low | 62 Ų | 62 | 120.5 Ų | 120.5 | 51% | 0.512 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -95.9 | -4.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | A1515 | A1445-A1515 HydrophobicContact CB-CB 4.43Š|
| 1446 | Y | 27.5 | Very low | 25.6 | Very low | 199 Ų | 199 | 120.2 Ų | 120.2 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -130.5 | -11.3 | -170.4 | -74.6 | -76 | 0 | 0 | 0 | 116.7 | ||
| 1447 | D | 27.3 | Very low | 25.5 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -101.5 | 5.3 | -174.8 | -77.4 | -52.6 | 0 | 0 | 0 | 115.9 | ||
| 1448 | L | 24.9 | Very low | 25.6 | Very low | 112 Ų | 112 | 116.6 Ų | 116.6 | 59% | 0.586 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -101 | 12.3 | 177.9 | -72 | 178 | 0 | 0 | 0 | 115.4 | ||
| 1449 | V | 29.5 | Very low | 25.7 | Very low | 134 Ų | 134 | 118 Ų | 118 | 81% | 0.812 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -105.2 | 17.2 | 172.6 | -160.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1450 | A | 28.1 | Very low | 25.9 | Very low | 79 Ų | 79 | 109.6 Ų | 109.6 | 65% | 0.653 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -97.9 | -18.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1451 | L | 24.4 | Very low | 26.1 | Very low | 149 Ų | 149 | 105.4 Ų | 105.4 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -138.8 | 51.8 | -168.3 | -68.4 | 175.2 | 0 | 0 | 0 | 114 | ||
| 1452 | S | 26.2 | Very low | 26.3 | Very low | 91 Ų | 91 | 110.9 Ų | 110.9 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -151.6 | 6.7 | 172.8 | 58.4 | 0 | 0 | 0 | 0 | 118.1 | ||
| 1453 | E | 29.1 | Very low | 26.4 | Very low | 114 Ų | 114 | 110.7 Ų | 110.7 | 53% | 0.533 | 61% | 0.614 | S | S | . | * | trans | -128 | 46.2 | -178.9 | -88 | -111.3 | 139.2 | 0 | 0 | 114 | K3 G1455 Y1457 | K3-E1453 WeakPolarHBondContact CE-OE1 3.5Å; K3-E1453 VanDerWaalsContact NZ-CD 3.32Å; K3-E1453 IonicContact NZ-OE1 2.7Å; K3-E1453 PolarHBondContact NZ-OE1 2.82Å; K3-E1453 IonicContact NZ-OE2 3.51Å; K3-E1453 PolarHBondContact NZ-OE2 3.48Å; E1453-G1455 PolarHBondContact O-N 3.18Å; E1453-Y1457 VanDerWaalsContact OE2-CE2 3.3Å; E1453-Y1457 WeakPolarHBondContact OE2-CE2 3.24Å | ||
| 1454 | S | 26.5 | Very low | 26.5 | Very low | 107 Ų | 107 | 109.8 Ų | 109.8 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | trans | -68.8 | 62.9 | 164.5 | 45 | 0 | 0 | 0 | 0 | 112 | ||||
| 1455 | G | 26.7 | Very low | 26.6 | Very low | 27 Ų | 27 | 110.9 Ų | 110.9 | 28% | 0.278 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -168.6 | 94.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K3 E1453 | K3-G1455 WeakPolarHBondContact CD-O 3.07Å; K3-G1455 WeakPolarHBondContact CE-O 3.35Å; K3-G1455 PolarHBondContact NZ-O 3.08Å; E1453-G1455 PolarHBondContact O-N 3.18Å |
| 1456 | N | 24.7 | Very low | 26.7 | Very low | 93 Ų | 93 | 114.3 Ų | 114.3 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | trans | 43 | 77.4 | 161.7 | -61.7 | 84.4 | 0 | 0 | 0 | 116 | K3 | K3-N1456 WeakPolarHBondContact CD-O 3.39Š| ||
| 1457 | Y | 25.8 | Very low | 26.8 | Very low | 137 Ų | 137 | 112 Ų | 112 | 54% | 0.537 | 62% | 0.618 | S | S | . | * | trans | -93.7 | 128.3 | 141.5 | -97.7 | -90.6 | 0 | 0 | 0 | 107.6 | K3 E1453 Q1705 | K3-Y1457 VanDerWaalsContact NZ-CD2 3.29Å; E1453-Y1457 VanDerWaalsContact OE2-CE2 3.3Å; E1453-Y1457 WeakPolarHBondContact OE2-CE2 3.24Å; Y1457-Q1705 HydrophobicContact CE1-CG 4.08Å; Y1457-Q1705 VanDerWaalsContact CZ-OE1 3.25Å; Y1457-Q1705 VanDerWaalsContact OH-CD 3.3Å; Y1457-Q1705 PolarHBondContact OH-NE2 3.18Å; Y1457-Q1705 PolarHBondContact OH-OE1 3.21Å | ||
| 1458 | S | 24.9 | Very low | 26.9 | Very low | 47 Ų | 47 | 109.9 Ų | 109.9 | 33% | 0.329 | 61% | 0.607 | S | S | . | * | trans | -92.8 | 106.4 | 174.1 | 58.1 | 0 | 0 | 0 | 0 | 110.1 | P30 V1460 | P30-S1458 WeakPolarHBondContact CG-OG 3.38Å; S1458-V1460 PolarHBondContact O-N 3.36Å | ||
| 1459 | S | 26.2 | Very low | 27.3 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 77% | 0.769 | 61% | 0.611 | S | S | * | * | trans | -58 | 118.4 | 149.3 | 37.3 | 0 | 0 | 0 | 0 | 107.9 | S1461 | S1459-S1461 PolarHBondContact O-N 3.26Å; S1459-S1461 VanDerWaalsContact O-N 3.08Å | ||
| 1460 | V | 26.7 | Very low | 27.3 | Very low | 81 Ų | 81 | 107.6 Ų | 107.6 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | trans | -75.6 | 98.3 | 168.2 | 177.6 | 0 | 0 | 0 | 0 | 106.6 | S1458 E1462 | S1458-V1460 PolarHBondContact O-N 3.36Å; V1460-E1462 PolarHBondContact O-N 2.94Å | ||
| 1461 | S | 26.8 | Very low | 27.5 | Very low | 56 Ų | 56 | 107.8 Ų | 107.8 | 39% | 0.392 | 58% | 0.576 | S | S | . | * | trans | -69.9 | 117.1 | -174.2 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | S1459 F1463 | S1459-S1461 PolarHBondContact O-N 3.26Å; S1459-S1461 VanDerWaalsContact O-N 3.08Å; S1461-F1463 VanDerWaalsContact CB-CD2 3.41Å; S1461-F1463 WeakPolarHBondContact OG-CD2 3.44Å; S1461-F1463 VanDerWaalsContact OG-CE2 3.24Å; S1461-F1463 WeakPolarHBondContact OG-CE2 3.33Å | ||
| 1462 | E | 25.7 | Very low | 27.9 | Very low | 198 Ų | 198 | 107.1 Ų | 107.1 | 93% | 0.925 | 57% | 0.573 | S | S | * | * | trans | -89.4 | 97.2 | 145.2 | -67 | -169.1 | 151 | 0 | 0 | 106.7 | V1460 | V1460-E1462 PolarHBondContact O-N 2.94Š| ||
| 1463 | F | 27.2 | Very low | 28.3 | Very low | 162 Ų | 162 | 110 Ų | 110 | 71% | 0.711 | 58% | 0.581 | S | S | * | * | trans | -82.6 | 134 | 172.9 | -75.2 | -77.2 | 0 | 0 | 0 | 110.1 | S1461 | S1461-F1463 VanDerWaalsContact CB-CD2 3.41Å; S1461-F1463 WeakPolarHBondContact OG-CD2 3.44Å; S1461-F1463 VanDerWaalsContact OG-CE2 3.24Å; S1461-F1463 WeakPolarHBondContact OG-CE2 3.33Å | ||
| 1464 | E | 27.1 | Very low | 28.6 | Very low | 156 Ų | 156 | 112.2 Ų | 112.2 | 73% | 0.729 | 59% | 0.591 | S | S | * | * | trans | -133.5 | 81.9 | 141.1 | -76.5 | -143.3 | 112.2 | 0 | 0 | 108.6 | K1000 | K1000-E1464 IonicContact NZ-OE1 3.68Å; K1000-E1464 PolarHBondContact NZ-OE1 2.76Å | ||
| 1465 | D | 28 | Very low | 28.9 | Very low | 96 Ų | 96 | 112.9 Ų | 112.9 | 51% | 0.513 | 59% | 0.587 | S | S | . | * | trans | 42 | 97.3 | 135.5 | -29.3 | -30.7 | 0 | 0 | 0 | 118.4 | K1000 | K1000-D1465 IonicContact NZ-OD2 3.7Å; K1000-D1465 PolarHBondContact NZ-OD2 3.28Å | ||
| 1466 | D | 28.2 | Very low | 29.1 | Very low | 135 Ų | 135 | 113.4 Ų | 113.4 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | trans | -133.2 | 78.9 | 155.4 | -99.5 | -51.5 | 0 | 0 | 0 | 107.5 | R830 | R830-D1466 IonicContact CZ-OD1 2.9Å; R830-D1466 IonicContact NH2-OD1 3.3Å; R830-D1466 PolarHBondContact NH2-OD1 3.48Å; R830-D1466 IonicContact NH2-OD2 3.47Å | ||
| 1467 | E | 28.3 | Very low | 29.3 | Very low | 151 Ų | 151 | 118.4 Ų | 118.4 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | trans | -85.8 | 156.2 | 165.7 | -72.5 | 172.1 | 169.4 | 0 | 0 | 108.6 | ||||
| 1468 | D | 30.1 | Very low | 29.3 | Very low | 73 Ų | 73 | 119.1 Ų | 119.1 | 39% | 0.39 | 61% | 0.612 | S | S | . | * | cis | -165.4 | 158.4 | -7.1 | -101.2 | -16.3 | 0 | 0 | 0 | 110.5 | ||||
| 1469 | E | 31.9 | Very low | 29.4 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 68% | 0.682 | 62% | 0.624 | S | S | * | * | trans | 50.4 | -153.5 | 138.5 | -56 | -173.8 | 151 | 0 | 0 | 121.6 | W747 | W747-E1469 WeakPolarHBondContact CZ2-O 3.42Š| ||
| 1470 | D | 31.4 | Very low | 29.4 | Very low | 51 Ų | 51 | 122.5 Ų | 122.5 | 27% | 0.273 | 61% | 0.611 | S | S | . | * | trans | 64.7 | 147.9 | -157.7 | -52 | -28.6 | 0 | 0 | 0 | 111.3 | W747 V821 D822 | W747-D1470 HydrophobicContact CD2-CB 4.43Å; W747-D1470 HydrophobicContact CZ2-CB 4.34Å; W747-D1470 WeakPolarHBondContact CZ2-O 3.21Å; W747-D1470 PolarHBondContact NE1-O 3.29Å; W747-D1470 VanDerWaalsContact NE1-O 3.15Å; V821-D1470 WeakPolarHBondContact CA-OD2 3.48Å; V821-D1470 HydrophobicContact CG1-CB 4.13Å; V821-D1470 WeakPolarHBondContact CG1-OD2 3.34Å; D822-D1470 PolarHBondContact N-OD2 3.32Å | ||
| 1471 | D | 32.3 | Very low | 29.4 | Very low | 84 Ų | 84 | 122.7 Ų | 122.7 | 45% | 0.449 | 61% | 0.606 | S | S | . | * | cis | -153 | 161.6 | -13.8 | -75.1 | -37.4 | 0 | 0 | 0 | 109.7 | W747 | W747-D1471 VanDerWaalsContact CD1-OD2 3.26Å; W747-D1471 VanDerWaalsContact NE1-N 3.13Å | ||
| 1472 | D | 32.9 | Very low | 29.4 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | trans | 6.9 | 151.2 | 156.6 | -51.8 | -40.7 | 0 | 0 | 0 | 126.5 | ||||
| 1473 | D | 34.5 | Very low | 29.4 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 81% | 0.807 | 60% | 0.599 | S | S | * | * | -174 | 163 | 90 | -96.9 | -16.3 | 0 | 0 | 0 | 111.2 | |||||
| 1474 | E | 34 | Very low | 29.4 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 75% | 0.748 | 60% | 0.598 | S | S | * | * | cis | -157.2 | -178.1 | -26.6 | -145.9 | -158.1 | 175.6 | 0 | 0 | 109.2 | ||||
| 1475 | N | 32.3 | Very low | 29.4 | Very low | 121 Ų | 121 | 123 Ų | 123 | 65% | 0.647 | 60% | 0.603 | S | S | * | * | trans | -113.9 | 136.8 | -170.7 | -90 | -85.4 | 0 | 0 | 0 | 116.3 | I615 | I615-N1475 VanDerWaalsContact CD1-OD1 3.27Å; I615-N1475 WeakPolarHBondContact CD1-OD1 3.3Å | ||
| 1476 | G | 31.5 | Very low | 29.2 | Very low | 38 Ų | 38 | 122.9 Ų | 122.9 | 39% | 0.392 | 61% | 0.61 | S | S | . | * | trans | 89.5 | 119 | 137.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1477 | R | 29.2 | Very low | 29.1 | Very low | 198 Ų | 198 | 125.8 Ų | 125.8 | 75% | 0.747 | 61% | 0.613 | S | S | * | * | trans | 157.1 | 87.5 | 138.3 | -87.7 | 164.1 | -172.1 | -164.2 | 3.2 | 108.9 | P618 | P618-R1477 WeakPolarHBondContact CD-O 3.48Š| ||
| 1478 | Q | 26.8 | Very low | 28.8 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 72% | 0.715 | 62% | 0.615 | S | S | * | * | 74.3 | 126.3 | 86.7 | -78.6 | -176.6 | -46.8 | 0 | 0 | 115.5 | |||||
| 1479 | E | 26.7 | Very low | 28.6 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 58% | 0.575 | 63% | 0.633 | S | S | * | * | trans | 71.8 | 148.7 | 151.8 | -68.3 | -164.7 | -161.5 | 0 | 0 | 120.3 | ||||
| 1480 | Q | 25.5 | Very low | 28.3 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 49% | 0.491 | 63% | 0.634 | S | S | . | * | cis | -172.6 | 165.9 | -33.2 | -131.8 | -177.8 | 74.5 | 0 | 0 | 109.3 | ||||
| 1481 | Q | 27.4 | Very low | 28 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 39% | 0.393 | 66% | 0.657 | S | S | . | * | trans | 70.5 | 151.5 | 159 | -64.6 | 154.7 | 47.9 | 0 | 0 | 117.3 | ||||
| 1482 | Q | 26.3 | Very low | 27.6 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 46% | 0.458 | 67% | 0.665 | S | S | . | * | cis | -170.9 | 167 | -18.7 | -114.3 | 178.6 | 17.6 | 0 | 0 | 109.6 | ||||
| 1483 | Q | 26.5 | Very low | 27.2 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | trans | 68.2 | 155.8 | 156.7 | -71.7 | 167.8 | 66 | 0 | 0 | 116.6 | ||||
| 1484 | Q | 27.1 | Very low | 26.7 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | cis | -139.5 | 134.1 | -5.8 | -102.5 | 146.4 | 45.1 | 0 | 0 | 106.6 | ||||
| 1485 | Q | 25.5 | Very low | 26.2 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 67% | 0.667 | S | S | * | * | 68.4 | 128.6 | 81.9 | -87.7 | -172.1 | -15 | 0 | 0 | 118.4 | |||||
| 1486 | S | 24.1 | Very low | 26 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | trans | 86.2 | 157.5 | 150.2 | 75.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 1487 | Y | 26 | Very low | 25.8 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | 69.3 | 114.1 | -173.4 | -50.5 | -77.3 | 0 | 0 | 0 | 114.6 | ||||
| 1488 | L | 23.5 | Very low | 25.6 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | cis | 69.4 | 122 | 45.1 | -54.6 | 168.5 | 0 | 0 | 0 | 111.4 | ||||
| 1489 | N | 26 | Very low | 25.7 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | cis | -135.1 | 173.7 | 24.1 | -71 | -64.5 | 0 | 0 | 0 | 115.4 | ||||
| 1490 | E | 24.6 | Very low | 25.9 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 71% | 0.71 | 68% | 0.684 | S | S | * | * | trans | -23 | 167.2 | 160.1 | -56.7 | -173.8 | 137.3 | 0 | 0 | 119.7 | I1492 | E1490-I1492 HydrophobicContact CG-CD1 4.04Š| ||
| 1491 | P | 25.5 | Very low | 26.2 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | cis | -117.2 | 145 | 4.1 | 39.1 | -26.6 | 0 | 0 | 0 | 113.1 | ||||
| 1492 | I | 23.6 | Very low | 26.4 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 60% | 0.6 | 70% | 0.697 | S | S | * | * | cis | 54.2 | 80.2 | 48.4 | -46.2 | -176 | 0 | 0 | 0 | 113 | E1490 T1494 | E1490-I1492 HydrophobicContact CG-CD1 4.04Å; I1492-T1494 HydrophobicContact CG2-CG2 3.9Å | ||
| 1493 | Y | 24.6 | Very low | 26.9 | Very low | 231 Ų | 231 | 130.7 Ų | 130.7 | 91% | 0.906 | 69% | 0.691 | S | S | * | * | trans | -111 | 112.7 | 147.9 | -122.7 | -86.5 | 0 | 0 | 0 | 111.3 | G1495 | Y1493-G1495 PolarHBondContact O-N 3.09Š| ||
| 1494 | T | 24.2 | Very low | 27.4 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | trans | -71.5 | 118.7 | -166.9 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | I1492 | I1492-T1494 HydrophobicContact CG2-CG2 3.9Š| ||
| 1495 | G | 24.2 | Very low | 28 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 67% | 0.671 | S | S | * | * | trans | 50.5 | 124.8 | 130.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | Y1493 | Y1493-G1495 PolarHBondContact O-N 3.09Š| ||
| 1496 | R | 26.6 | Very low | 28.9 | Very low | 243 Ų | 243 | 121 Ų | 121 | 92% | 0.917 | 66% | 0.656 | S | S | * | * | trans | -145.4 | 92.7 | 140.6 | -111.4 | 170.1 | -161.5 | -141.1 | 2 | 112.7 | ||||
| 1497 | S | 28.2 | Very low | 29.7 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | trans | 30.8 | 100.3 | 148.5 | 178.8 | 0 | 0 | 0 | 0 | 118.1 | G1499 | S1497-G1499 PolarHBondContact O-N 3.02Å; S1497-G1499 VanDerWaalsContact O-N 3.17Å | ||
| 1498 | L | 25.7 | Very low | 30.3 | Very low | 170 Ų | 170 | 118.5 Ų | 118.5 | 89% | 0.89 | 64% | 0.641 | S | S | * | * | trans | 30.3 | 77.4 | 136.6 | -69.8 | 165.3 | 0 | 0 | 0 | 115.4 | ||||
| 1499 | G | 28.3 | Very low | 31.4 | Very low | 55 Ų | 55 | 115 Ų | 115 | 57% | 0.567 | 63% | 0.626 | S | S | * | * | trans | -56 | 142.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | S1497 | S1497-G1499 PolarHBondContact O-N 3.02Å; S1497-G1499 VanDerWaalsContact O-N 3.17Å | ||
| 1500 | S | 30.7 | Very low | 32.6 | Very low | 41 Ų | 41 | 111 Ų | 111 | 29% | 0.287 | 61% | 0.606 | S | S | . | * | trans | -74.9 | 162 | 177.6 | 70 | 0 | 0 | 0 | 0 | 110.6 | A1502 D1503 L1504 | S1500-A1502 PolarHBondContact O-N 3.3Å; S1500-A1502 PolarHBondContact OG-N 3.39Å; S1500-D1503 WeakPolarHBondContact CB-OD2 3.38Å; S1500-D1503 PolarHBondContact N-OD2 3.49Å; S1500-D1503 WeakPolarHBondContact O-CA 3.43Å; S1500-D1503 WeakPolarHBondContact O-CB 3.41Å; S1500-D1503 PolarHBondContact O-N 3.14Å; S1500-D1503 PolarHBondContact OG-OD2 2.98Å; S1500-L1504 PolarHBondContact O-N 3.1Å | ||
| 1501 | E | 30.9 | Very low | 33.4 | Very low | 149 Ų | 149 | 107.1 Ų | 107.1 | 70% | 0.696 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -54 | -26.4 | 171.6 | -162.5 | -166.9 | 139.2 | 0 | 0 | 112.3 | Q1505 | E1501-Q1505 WeakPolarHBondContact O-CB 3.18Å; E1501-Q1505 VanDerWaalsContact O-CG 3.28Å; E1501-Q1505 WeakPolarHBondContact O-CG 3.31Å; E1501-Q1505 PolarHBondContact O-N 3.3Å; E1501-Q1505 PolarHBondContact OE1-NE2 3.32Å |
| 1502 | A | 32.7 | Very low | 34 | Very low | 55 Ų | 55 | 106.4 Ų | 106.4 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.5 | -24.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1500 C1506 | S1500-A1502 PolarHBondContact O-N 3.3Å; S1500-A1502 PolarHBondContact OG-N 3.39Å; A1502-C1506 WeakPolarHBondContact O-CB 3.31Å; A1502-C1506 PolarHBondContact O-N 2.84Å |
| 1503 | D | 36.5 | Very low | 34.8 | Very low | 62 Ų | 62 | 107.9 Ų | 107.9 | 33% | 0.332 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.4 | -46.3 | 172.4 | -61.6 | -100 | 0 | 0 | 0 | 109.4 | S1500 Q1505 C1506 E1507 K1926 | S1500-D1503 WeakPolarHBondContact CB-OD2 3.38Å; S1500-D1503 PolarHBondContact N-OD2 3.49Å; S1500-D1503 WeakPolarHBondContact O-CA 3.43Å; S1500-D1503 WeakPolarHBondContact O-CB 3.41Å; S1500-D1503 PolarHBondContact O-N 3.14Å; S1500-D1503 PolarHBondContact OG-OD2 2.98Å; D1503-Q1505 PolarHBondContact O-N 2.63Å; D1503-C1506 WeakPolarHBondContact O-CB 3.25Å; D1503-C1506 PolarHBondContact O-N 2.89Å; D1503-C1506 VanDerWaalsContact O-N 3.1Å; D1503-E1507 PolarHBondContact O-N 2.96Å; D1503-K1926 IonicContact OD1-NZ 2.6Å; D1503-K1926 PolarHBondContact OD1-NZ 2.99Å |
| 1504 | L | 36.5 | Very low | 35.7 | Very low | 104 Ų | 104 | 100.9 Ų | 100.9 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.7 | -47.3 | 171.4 | -107.4 | 86.1 | 0 | 0 | 0 | 112 | S1500 C1506 E1507 Q1508 | S1500-L1504 PolarHBondContact O-N 3.1Å; L1504-C1506 VanDerWaalsContact C-N 3.26Å; L1504-C1506 PolarHBondContact O-N 3.46Å; L1504-E1507 PolarHBondContact O-N 2.98Å; L1504-Q1508 WeakPolarHBondContact O-CB 3.31Å; L1504-Q1508 WeakPolarHBondContact O-CG 3.33Å; L1504-Q1508 PolarHBondContact O-N 3.38Å |
| 1505 | Q | 40.4 | Very low | 36.2 | Very low | 96 Ų | 96 | 97.1 Ų | 97.1 | 45% | 0.449 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 176.2 | -72.5 | 173.4 | 15.9 | 0 | 0 | 112 | E1501 D1503 V1509 | E1501-Q1505 WeakPolarHBondContact O-CB 3.18Å; E1501-Q1505 VanDerWaalsContact O-CG 3.28Å; E1501-Q1505 WeakPolarHBondContact O-CG 3.31Å; E1501-Q1505 PolarHBondContact O-N 3.3Å; E1501-Q1505 PolarHBondContact OE1-NE2 3.32Å; D1503-Q1505 PolarHBondContact O-N 2.63Å; Q1505-V1509 VanDerWaalsContact O-CB 3.24Å; Q1505-V1509 WeakPolarHBondContact O-CB 3.35Å; Q1505-V1509 WeakPolarHBondContact O-CG2 3.25Å; Q1505-V1509 PolarHBondContact O-N 3.03Å |
| 1506 | C | 43.3 | Very low | 36.7 | Very low | 77 Ų | 77 | 97.2 Ų | 97.2 | 52% | 0.52 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.4 | -35.6 | 176.9 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | A1502 D1503 L1504 T1510 | A1502-C1506 WeakPolarHBondContact O-CB 3.31Å; A1502-C1506 PolarHBondContact O-N 2.84Å; D1503-C1506 WeakPolarHBondContact O-CB 3.25Å; D1503-C1506 PolarHBondContact O-N 2.89Å; D1503-C1506 VanDerWaalsContact O-N 3.1Å; L1504-C1506 VanDerWaalsContact C-N 3.26Å; L1504-C1506 PolarHBondContact O-N 3.46Å; C1506-T1510 WeakPolarHBondContact O-CB 3.45Å; C1506-T1510 PolarHBondContact O-N 2.86Å; C1506-T1510 PolarHBondContact O-OG1 3.47Å |
| 1507 | E | 40.8 | Very low | 37.3 | Very low | 138 Ų | 138 | 89.2 Ų | 89.2 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.4 | -48.8 | 176.1 | -155.2 | 157.4 | -123.7 | 0 | 0 | 110.7 | D1503 L1504 V1509 T1510 V1511 | D1503-E1507 PolarHBondContact O-N 2.96Å; L1504-E1507 PolarHBondContact O-N 2.98Å; E1507-V1509 PolarHBondContact O-N 3.03Å; E1507-T1510 WeakPolarHBondContact O-CA 3.07Å; E1507-T1510 WeakPolarHBondContact O-CB 3.37Å; E1507-T1510 PolarHBondContact O-N 3.45Å; E1507-V1511 PolarHBondContact O-N 3.44Å |
| 1508 | Q | 40.5 | Very low | 37.5 | Very low | 100 Ų | 100 | 94 Ų | 94 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54.1 | -47.2 | 170.9 | -71.9 | 173.9 | -9.4 | 0 | 0 | 112.2 | L1504 T1510 V1511 L1512 | L1504-Q1508 WeakPolarHBondContact O-CB 3.31Å; L1504-Q1508 WeakPolarHBondContact O-CG 3.33Å; L1504-Q1508 PolarHBondContact O-N 3.38Å; Q1508-T1510 VanDerWaalsContact C-N 3.26Å; Q1508-T1510 PolarHBondContact O-N 2.71Å; Q1508-V1511 PolarHBondContact O-N 2.8Å; Q1508-L1512 WeakPolarHBondContact O-CB 3.5Å; Q1508-L1512 PolarHBondContact O-N 2.92Å |
| 1509 | V | 46 | Very low | 37.8 | Very low | 73 Ų | 73 | 88.2 Ų | 88.2 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.6 | -27.9 | 176.4 | 165.3 | 0 | 0 | 0 | 0 | 112.5 | Q1505 E1507 R1513 | Q1505-V1509 VanDerWaalsContact O-CB 3.24Å; Q1505-V1509 WeakPolarHBondContact O-CB 3.35Å; Q1505-V1509 WeakPolarHBondContact O-CG2 3.25Å; Q1505-V1509 PolarHBondContact O-N 3.03Å; E1507-V1509 PolarHBondContact O-N 3.03Å; V1509-R1513 VanDerWaalsContact O-CB 3.28Å; V1509-R1513 WeakPolarHBondContact O-CB 3.34Å; V1509-R1513 PolarHBondContact O-N 3.17Å |
| 1510 | T | 50.6 | Low | 38 | Very low | 59 Ų | 59 | 89.9 Ų | 89.9 | 36% | 0.362 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -77.2 | -41.1 | 176.5 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | C1506 E1507 Q1508 R1513 N1514 | C1506-T1510 WeakPolarHBondContact O-CB 3.45Å; C1506-T1510 PolarHBondContact O-N 2.86Å; C1506-T1510 PolarHBondContact O-OG1 3.47Å; E1507-T1510 WeakPolarHBondContact O-CA 3.07Å; E1507-T1510 WeakPolarHBondContact O-CB 3.37Å; E1507-T1510 PolarHBondContact O-N 3.45Å; Q1508-T1510 VanDerWaalsContact C-N 3.26Å; Q1508-T1510 PolarHBondContact O-N 2.71Å; T1510-R1513 PolarHBondContact O-N 2.8Å; T1510-N1514 WeakPolarHBondContact O-CB 3.31Å; T1510-N1514 VanDerWaalsContact O-CG 3.23Å; T1510-N1514 PolarHBondContact O-N 3.31Å; T1510-N1514 PolarHBondContact O-ND2 3.36Å |
| 1511 | V | 41.3 | Very low | 38.2 | Very low | 69 Ų | 69 | 91.6 Ų | 91.6 | 42% | 0.418 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 169.2 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | E1507 Q1508 R1513 N1514 A1515 | E1507-V1511 PolarHBondContact O-N 3.44Å; Q1508-V1511 PolarHBondContact O-N 2.8Å; V1511-R1513 PolarHBondContact O-N 2.79Å; V1511-N1514 PolarHBondContact O-N 3.42Å; V1511-A1515 WeakPolarHBondContact O-CB 3.48Å; V1511-A1515 PolarHBondContact O-N 2.87Å |
| 1512 | L | 38.1 | Very low | 38.3 | Very low | 102 Ų | 102 | 92.8 Ų | 92.8 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 175.2 | -108.7 | 159.8 | 0 | 0 | 0 | 112.6 | Q1508 N1514 A1515 L1516 | Q1508-L1512 WeakPolarHBondContact O-CB 3.5Å; Q1508-L1512 PolarHBondContact O-N 2.92Å; L1512-N1514 VanDerWaalsContact C-N 3.33Å; L1512-N1514 PolarHBondContact O-N 3.23Å; L1512-A1515 PolarHBondContact O-N 3.35Å; L1512-L1516 HydrophobicContact CD2-CD1 4.11Å; L1512-L1516 HydrophobicContact CD2-CG 4.48Å; L1512-L1516 VanDerWaalsContact O-CB 3.31Å; L1512-L1516 WeakPolarHBondContact O-CB 3.31Å; L1512-L1516 VanDerWaalsContact O-CG 3.27Å; L1512-L1516 WeakPolarHBondContact O-CG 3.4Å; L1512-L1516 PolarHBondContact O-N 3Å |
| 1513 | R | 41.8 | Very low | 38.1 | Very low | 148 Ų | 148 | 96.5 Ų | 96.5 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 176.4 | 178.2 | 177.6 | -76.7 | 113.4 | -5 | 111.3 | V1509 T1510 V1511 T1517 | V1509-R1513 VanDerWaalsContact O-CB 3.28Å; V1509-R1513 WeakPolarHBondContact O-CB 3.34Å; V1509-R1513 PolarHBondContact O-N 3.17Å; T1510-R1513 PolarHBondContact O-N 2.8Å; V1511-R1513 PolarHBondContact O-N 2.79Å; R1513-T1517 VanDerWaalsContact O-CB 3.29Å; R1513-T1517 WeakPolarHBondContact O-CB 3.46Å; R1513-T1517 PolarHBondContact O-N 2.9Å; R1513-T1517 PolarHBondContact O-OG1 3.15Å |
| 1514 | N | 41.5 | Very low | 37.8 | Very low | 84 Ų | 84 | 102.1 Ų | 102.1 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.8 | -40.6 | 179.9 | -73.6 | -20.7 | 0 | 0 | 0 | 112 | T1510 V1511 L1512 R1518 | T1510-N1514 WeakPolarHBondContact O-CB 3.31Å; T1510-N1514 VanDerWaalsContact O-CG 3.23Å; T1510-N1514 PolarHBondContact O-N 3.31Å; T1510-N1514 PolarHBondContact O-ND2 3.36Å; V1511-N1514 PolarHBondContact O-N 3.42Å; L1512-N1514 VanDerWaalsContact C-N 3.33Å; L1512-N1514 PolarHBondContact O-N 3.23Å; N1514-R1518 WeakPolarHBondContact O-CB 3.3Å; N1514-R1518 VanDerWaalsContact O-CG 3.25Å; N1514-R1518 WeakPolarHBondContact O-CG 3.38Å; N1514-R1518 PolarHBondContact O-N 2.7Å |
| 1515 | A | 36.6 | Very low | 37.5 | Very low | 34 Ų | 34 | 102.1 Ų | 102.1 | 28% | 0.281 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1445 V1511 L1512 T1517 R1518 S1519 | A1445-A1515 HydrophobicContact CB-CB 4.43Å; V1511-A1515 WeakPolarHBondContact O-CB 3.48Å; V1511-A1515 PolarHBondContact O-N 2.87Å; L1512-A1515 PolarHBondContact O-N 3.35Å; A1515-T1517 PolarHBondContact O-N 3.09Å; A1515-R1518 PolarHBondContact O-N 3.39Å; A1515-S1519 PolarHBondContact O-N 3.2Å; A1515-S1519 PolarHBondContact O-OG 2.95Å |
| 1516 | L | 34.8 | Very low | 37.7 | Very low | 74 Ų | 74 | 101.6 Ų | 101.6 | 39% | 0.387 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 176.7 | -73.9 | 167.3 | 0 | 0 | 0 | 111.4 | L1512 R1518 S1519 T1520 T1748 | L1512-L1516 HydrophobicContact CD2-CD1 4.11Å; L1512-L1516 HydrophobicContact CD2-CG 4.48Å; L1512-L1516 VanDerWaalsContact O-CB 3.31Å; L1512-L1516 WeakPolarHBondContact O-CB 3.31Å; L1512-L1516 VanDerWaalsContact O-CG 3.27Å; L1512-L1516 WeakPolarHBondContact O-CG 3.4Å; L1512-L1516 PolarHBondContact O-N 3Å; L1516-R1518 VanDerWaalsContact C-N 3.26Å; L1516-R1518 PolarHBondContact O-N 2.88Å; L1516-S1519 WeakPolarHBondContact CA-OG 3.38Å; L1516-S1519 WeakPolarHBondContact O-CA 3.41Å; L1516-S1519 PolarHBondContact O-N 3.28Å; L1516-S1519 PolarHBondContact O-OG 2.84Å; L1516-T1520 WeakPolarHBondContact O-CG2 3.21Å; L1516-T1520 PolarHBondContact O-N 3.41Å; L1516-T1520 PolarHBondContact O-OG1 2.9Å; L1516-T1748 HydrophobicContact CD2-CG2 4.1Å |
| 1517 | T | 37.3 | Very low | 37.8 | Very low | 74 Ų | 74 | 104.4 Ų | 104.4 | 45% | 0.454 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -28.7 | 179.9 | -50.1 | 0 | 0 | 0 | 0 | 112.8 | R1513 A1515 T1520 | R1513-T1517 VanDerWaalsContact O-CB 3.29Å; R1513-T1517 WeakPolarHBondContact O-CB 3.46Å; R1513-T1517 PolarHBondContact O-N 2.9Å; R1513-T1517 PolarHBondContact O-OG1 3.15Å; A1515-T1517 PolarHBondContact O-N 3.09Å; T1517-T1520 PolarHBondContact O-OG1 3.34Å |
| 1518 | R | 33.3 | Very low | 38.4 | Very low | 211 Ų | 211 | 102.1 Ų | 102.1 | 80% | 0.796 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -76.4 | -20.8 | 171.5 | -73 | 176.1 | -175 | -160.7 | 3.9 | 113.2 | N1514 A1515 L1516 | N1514-R1518 WeakPolarHBondContact O-CB 3.3Å; N1514-R1518 VanDerWaalsContact O-CG 3.25Å; N1514-R1518 WeakPolarHBondContact O-CG 3.38Å; N1514-R1518 PolarHBondContact O-N 2.7Å; A1515-R1518 PolarHBondContact O-N 3.39Å; L1516-R1518 VanDerWaalsContact C-N 3.26Å; L1516-R1518 PolarHBondContact O-N 2.88Å |
| 1519 | S | 31.5 | Very low | 39.9 | Very low | 48 Ų | 48 | 97.5 Ų | 97.5 | 34% | 0.336 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -93.7 | -23.4 | 178.5 | 70.8 | 0 | 0 | 0 | 0 | 114.6 | A1515 L1516 H1521 | A1515-S1519 PolarHBondContact O-N 3.2Å; A1515-S1519 PolarHBondContact O-OG 2.95Å; L1516-S1519 WeakPolarHBondContact CA-OG 3.38Å; L1516-S1519 WeakPolarHBondContact O-CA 3.41Å; L1516-S1519 PolarHBondContact O-N 3.28Å; L1516-S1519 PolarHBondContact O-OG 2.84Å; S1519-H1521 VanDerWaalsContact C-N 3.31Å; S1519-H1521 PolarHBondContact O-N 3.13Å |
| 1520 | T | 33.5 | Very low | 40.8 | Very low | 90 Ų | 90 | 96.9 Ų | 96.9 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -75.4 | -13.2 | -178.9 | 47.1 | 0 | 0 | 0 | 0 | 114.6 | L1516 T1517 | L1516-T1520 WeakPolarHBondContact O-CG2 3.21Å; L1516-T1520 PolarHBondContact O-N 3.41Å; L1516-T1520 PolarHBondContact O-OG1 2.9Å; T1517-T1520 PolarHBondContact O-OG1 3.34Å |
| 1521 | H | 34.7 | Very low | 41.8 | Very low | 77 Ų | 77 | 94.6 Ų | 94.6 | 36% | 0.356 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -111.8 | 98 | 178.6 | -65 | -60.8 | 0 | 0 | 0 | 111.3 | S1519 E1890 Q1894 | S1519-H1521 VanDerWaalsContact C-N 3.31Å; S1519-H1521 PolarHBondContact O-N 3.13Å; H1521-E1890 IonicContact CE1-OE2 3.25Å; H1521-Q1894 PolarHBondContact NE2-NE2 2.87Å |
| 1522 | Q | 31.7 | Very low | 43.5 | Very low | 173 Ų | 173 | 91.3 Ų | 91.3 | 81% | 0.808 | 47% | 0.473 | S | S | * | . | trans | 63.8 | 107.2 | -175.7 | -56 | -180 | -1.9 | 0 | 0 | 113.8 | K1524 | Q1522-K1524 VanDerWaalsContact C-N 3.29Å; Q1522-K1524 PolarHBondContact O-N 3.48Å | ||
| 1523 | L | 29.9 | Very low | 45.2 | Very low | 134 Ų | 134 | 88.9 Ų | 88.9 | 70% | 0.702 | 46% | 0.464 | S | S | * | . | trans | -59.5 | 95.3 | 157.2 | -78.6 | 166.1 | 0 | 0 | 0 | 108.3 | ||||
| 1524 | K | 30.8 | Very low | 46.6 | Very low | 179 Ų | 179 | 88.6 Ų | 88.6 | 78% | 0.778 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 141.4 | 164.1 | -76.4 | -176.6 | 176.5 | 179.3 | 0 | 107.9 | Q1522 L1526 | Q1522-K1524 VanDerWaalsContact C-N 3.29Å; Q1522-K1524 PolarHBondContact O-N 3.48Å; K1524-L1526 PolarHBondContact O-N 3.16Å; K1524-L1526 VanDerWaalsContact O-N 3.12Å |
| 1525 | P | 29.6 | Very low | 48.1 | Very low | 105 Ų | 105 | 84.8 Ų | 84.8 | 68% | 0.682 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 123.7 | 176.8 | 24.5 | -33.3 | 0 | 0 | 0 | 109 | L1527 | P1525-L1527 PolarHBondContact O-N 3.28Š|
| 1526 | L | 43.2 | Very low | 50.2 | Low | 85 Ų | 85 | 83.5 Ų | 83.5 | 45% | 0.445 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 133.8 | 167.9 | -70 | 172 | 0 | 0 | 0 | 107.8 | K1524 L1581 F1676 | K1524-L1526 PolarHBondContact O-N 3.16Å; K1524-L1526 VanDerWaalsContact O-N 3.12Å; L1526-L1581 HydrophobicContact CD2-CD1 4.33Å; L1526-F1676 HydrophobicContact CD1-CE1 4.46Å; L1526-F1676 HydrophobicContact CD1-CZ 4.01Å |
| 1527 | L | 45.6 | Very low | 52.1 | Low | 136 Ų | 136 | 82.2 Ų | 82.2 | 71% | 0.712 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 131.6 | -175.4 | -73.8 | 168.1 | 0 | 0 | 0 | 109.4 | P1525 I1529 | P1525-L1527 PolarHBondContact O-N 3.28Å; L1527-I1529 PolarHBondContact O-N 2.87Å; L1527-I1529 VanDerWaalsContact O-N 3.13Å |
| 1528 | P | 54 | Low | 53.8 | Low | 90 Ų | 90 | 80.8 Ų | 80.8 | 58% | 0.584 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 120.7 | 177.7 | 26.2 | -33.1 | 0 | 0 | 0 | 108.4 | P1530 | P1528-P1530 WeakPolarHBondContact O-CD 3.4Å; P1528-P1530 WeakPolarHBondContact O-CG 3.42Å |
| 1529 | I | 71.5 | Confident | 55.9 | Low | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | trans | -55.7 | 108.9 | 177.1 | -61.7 | 162.5 | 0 | 0 | 0 | 107.4 | L1527 G1531 L1532 S1533 Y1551 D1576 L1581 L1583 F1676 | L1527-I1529 PolarHBondContact O-N 2.87Å; L1527-I1529 VanDerWaalsContact O-N 3.13Å; I1529-G1531 PolarHBondContact O-N 2.9Å; I1529-L1532 HydrophobicContact CB-CB 4.05Å; I1529-L1532 HydrophobicContact CD1-CD2 3.96Å; I1529-L1532 HydrophobicContact CG2-CB 3.72Å; I1529-L1532 PolarHBondContact O-N 3.31Å; I1529-S1533 VanDerWaalsContact O-CB 3.26Å; I1529-S1533 WeakPolarHBondContact O-CB 3.33Å; I1529-S1533 PolarHBondContact O-N 2.9Å; I1529-S1533 PolarHBondContact O-OG 3.45Å; I1529-Y1551 HydrophobicContact CG2-CE2 3.92Å; I1529-D1576 WeakPolarHBondContact CG2-OD1 3.5Å; I1529-L1581 HydrophobicContact CD1-CD2 4.42Å; I1529-L1581 HydrophobicContact CG1-CD2 4.13Å; I1529-L1583 HydrophobicContact CD1-CD1 3.66Å; I1529-L1583 HydrophobicContact CD1-CD2 3.88Å; I1529-L1583 HydrophobicContact CD1-CG 4.43Å; I1529-F1676 HydrophobicContact CD1-CB 3.99Å; I1529-F1676 HydrophobicContact CD1-CD2 4.12Å; I1529-F1676 HydrophobicContact CD1-CG 4.06Å | ||
| 1530 | P | 66.6 | Low | 57.9 | Low | 61 Ų | 61 | 75.5 Ų | 75.5 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.9 | -33.5 | -160.8 | -23 | 34.1 | 0 | 0 | 0 | 113.2 | P1528 S1533 F1534 | P1528-P1530 WeakPolarHBondContact O-CD 3.4Å; P1528-P1530 WeakPolarHBondContact O-CG 3.42Å; P1530-S1533 PolarHBondContact O-N 3.27Å; P1530-F1534 PolarHBondContact O-N 3.05Å |
| 1531 | G | 70.2 | Confident | 59.8 | Low | 10 Ų | 10 | 78.7 Ų | 78.7 | 10% | 0.103 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.1 | -60.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | I1529 S1533 F1534 V1535 R1578 | I1529-G1531 PolarHBondContact O-N 2.9Å; G1531-S1533 PolarHBondContact O-N 3.09Å; G1531-S1533 VanDerWaalsContact O-N 3.14Å; G1531-F1534 WeakPolarHBondContact O-CA 3.26Å; G1531-F1534 WeakPolarHBondContact O-CB 3.15Å; G1531-F1534 PolarHBondContact O-N 3.15Å; G1531-V1535 WeakPolarHBondContact O-CG2 3.34Å; G1531-V1535 PolarHBondContact O-N 2.99Å; G1531-R1578 VanDerWaalsContact CA-NH2 3.32Å |
| 1532 | L | 77.2 | Confident | 61.9 | Low | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -54 | -34.8 | 174.6 | -172.5 | 67 | 0 | 0 | 0 | 113 | I1529 V1535 M1536 Y1551 F1676 V1679 F1690 | I1529-L1532 HydrophobicContact CB-CB 4.05Å; I1529-L1532 HydrophobicContact CD1-CD2 3.96Å; I1529-L1532 HydrophobicContact CG2-CB 3.72Å; I1529-L1532 PolarHBondContact O-N 3.31Å; L1532-V1535 PolarHBondContact O-N 2.91Å; L1532-M1536 HydrophobicContact CD1-CG 4.39Å; L1532-M1536 HydrophobicContact CG-CG 4.4Å; L1532-M1536 VanDerWaalsContact O-CB 3.27Å; L1532-M1536 WeakPolarHBondContact O-CB 3.44Å; L1532-M1536 WeakPolarHBondContact O-CG 3.34Å; L1532-M1536 PolarHBondContact O-N 3.21Å; L1532-Y1551 HydrophobicContact CB-CD1 4.3Å; L1532-Y1551 HydrophobicContact CB-CD2 4.31Å; L1532-Y1551 HydrophobicContact CB-CE1 4.15Å; L1532-Y1551 HydrophobicContact CB-CE2 4.17Å; L1532-Y1551 HydrophobicContact CB-CG 4.39Å; L1532-Y1551 HydrophobicContact CD1-CD1 3.89Å; L1532-Y1551 HydrophobicContact CD1-CE1 4.14Å; L1532-Y1551 HydrophobicContact CD1-CG 4.46Å; L1532-F1676 HydrophobicContact CD2-CB 3.73Å; L1532-V1679 HydrophobicContact CD1-CG2 4.17Å; L1532-F1690 HydrophobicContact CD1-CD2 3.71Å; L1532-F1690 HydrophobicContact CD1-CE2 4.2Å; L1532-F1690 HydrophobicContact CD1-CG 4.2Å; L1532-F1690 HydrophobicContact CD2-CB 3.56Å; L1532-F1690 HydrophobicContact CD2-CD2 4.26Å; L1532-F1690 HydrophobicContact CD2-CG 3.93Å |
| 1533 | S | 74.5 | Confident | 64 | Low | 51 Ų | 51 | 77.5 Ų | 77.5 | 36% | 0.357 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.8 | -37.2 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 113 | I1529 P1530 G1531 S1537 | I1529-S1533 VanDerWaalsContact O-CB 3.26Å; I1529-S1533 WeakPolarHBondContact O-CB 3.33Å; I1529-S1533 PolarHBondContact O-N 2.9Å; I1529-S1533 PolarHBondContact O-OG 3.45Å; P1530-S1533 PolarHBondContact O-N 3.27Å; G1531-S1533 PolarHBondContact O-N 3.09Å; G1531-S1533 VanDerWaalsContact O-N 3.14Å; S1533-S1537 PolarHBondContact O-N 3.26Å |
| 1534 | F | 70 | Confident | 66.4 | Low | 142 Ų | 142 | 78 Ų | 78 | 62% | 0.623 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65 | -51.3 | 171.9 | 177.4 | -89.7 | 0 | 0 | 0 | 110.6 | P1530 G1531 M1536 S1537 | P1530-F1534 PolarHBondContact O-N 3.05Å; G1531-F1534 WeakPolarHBondContact O-CA 3.26Å; G1531-F1534 WeakPolarHBondContact O-CB 3.15Å; G1531-F1534 PolarHBondContact O-N 3.15Å; F1534-M1536 VanDerWaalsContact C-N 3.31Å; F1534-M1536 PolarHBondContact O-N 3.37Å; F1534-S1537 WeakPolarHBondContact O-CB 3.45Å; F1534-S1537 PolarHBondContact O-N 3.19Å; F1534-S1537 PolarHBondContact O-OG 2.89Å |
| 1535 | V | 72.9 | Confident | 68.9 | Low | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.024 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 178.3 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | G1531 L1532 S1537 S1538 P1546 E1550 V1679 | G1531-V1535 WeakPolarHBondContact O-CG2 3.34Å; G1531-V1535 PolarHBondContact O-N 2.99Å; L1532-V1535 PolarHBondContact O-N 2.91Å; V1535-S1537 PolarHBondContact O-N 3.18Å; V1535-S1538 PolarHBondContact O-N 2.91Å; V1535-P1546 HydrophobicContact CG1-CB 3.72Å; V1535-P1546 HydrophobicContact CG1-CG 3.39Å; V1535-E1550 HydrophobicContact CB-CB 4.4Å; V1535-E1550 HydrophobicContact CG1-CB 4.21Å; V1535-E1550 HydrophobicContact CG2-CB 3.35Å; V1535-E1550 HydrophobicContact CG2-CG 4.33Å; V1535-E1550 WeakPolarHBondContact CG2-OE2 3.39Å; V1535-V1679 HydrophobicContact CG1-CG2 4.03Å |
| 1536 | M | 81.2 | Confident | 71.2 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.1 | -8.7 | 177 | -70.7 | -56.4 | -64.4 | 0 | 0 | 115 | L1532 F1534 S1538 F1539 Q1540 V1661 L1665 A1678 | L1532-M1536 HydrophobicContact CD1-CG 4.39Å; L1532-M1536 HydrophobicContact CG-CG 4.4Å; L1532-M1536 VanDerWaalsContact O-CB 3.27Å; L1532-M1536 WeakPolarHBondContact O-CB 3.44Å; L1532-M1536 WeakPolarHBondContact O-CG 3.34Å; L1532-M1536 PolarHBondContact O-N 3.21Å; F1534-M1536 VanDerWaalsContact C-N 3.31Å; F1534-M1536 PolarHBondContact O-N 3.37Å; M1536-S1538 VanDerWaalsContact C-N 3.3Å; M1536-F1539 HydrophobicContact CE-CB 3.64Å; M1536-F1539 HydrophobicContact CE-CD1 3.79Å; M1536-F1539 HydrophobicContact CE-CD2 4.43Å; M1536-F1539 HydrophobicContact CE-CG 3.68Å; M1536-F1539 PolarHBondContact O-N 3.02Å; M1536-F1539 HydrophobicContact SD-CB 4.18Å; M1536-Q1540 WeakPolarHBondContact O-CG 3.22Å; M1536-Q1540 PolarHBondContact O-N 2.81Å; M1536-V1661 HydrophobicContact CE-CG1 4.38Å; M1536-L1665 HydrophobicContact CE-CD1 3.47Å; M1536-L1665 VanDerWaalsContact CE-CD1 3.47Å; M1536-L1665 HydrophobicContact CE-CD2 4.14Å; M1536-L1665 HydrophobicContact CE-CG 4.39Å; M1536-A1678 HydrophobicContact SD-CB 4.48Å; M1536-A1678 PolarHBondContact SD-N 3.28Å |
| 1537 | S | 75.3 | Confident | 72.5 | Confident | 48 Ų | 48 | 65 Ų | 65 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 171.2 | 75.3 | 0 | 0 | 0 | 0 | 111.4 | S1533 F1534 V1535 F1539 Q1540 Q1541 | S1533-S1537 PolarHBondContact O-N 3.26Å; F1534-S1537 WeakPolarHBondContact O-CB 3.45Å; F1534-S1537 PolarHBondContact O-N 3.19Å; F1534-S1537 PolarHBondContact O-OG 2.89Å; V1535-S1537 PolarHBondContact O-N 3.18Å; S1537-F1539 PolarHBondContact O-N 3.44Å; S1537-Q1540 PolarHBondContact O-N 3.17Å; S1537-Q1541 PolarHBondContact O-N 3.06Å |
| 1538 | S | 72.4 | Confident | 73.2 | Confident | 43 Ų | 43 | 59 Ų | 59 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 112 | V1535 M1536 Q1540 Q1541 T1542 | V1535-S1538 PolarHBondContact O-N 2.91Å; M1536-S1538 VanDerWaalsContact C-N 3.3Å; S1538-Q1540 VanDerWaalsContact C-N 3.33Å; S1538-Q1540 PolarHBondContact O-N 2.92Å; S1538-Q1541 PolarHBondContact O-N 3.27Å; S1538-T1542 WeakPolarHBondContact O-CB 3.48Å; S1538-T1542 WeakPolarHBondContact O-CG2 3.48Å; S1538-T1542 PolarHBondContact O-N 2.95Å; S1538-T1542 PolarHBondContact O-OG1 3.41Å |
| 1539 | F | 78 | Confident | 73.3 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 5% | 0.053 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 174.8 | -175 | -93.6 | 0 | 0 | 0 | 112.4 | M1536 S1537 Q1541 K1543 K1544 L1545 V1661 R1662 L1665 | M1536-F1539 HydrophobicContact CE-CB 3.64Å; M1536-F1539 HydrophobicContact CE-CD1 3.79Å; M1536-F1539 HydrophobicContact CE-CD2 4.43Å; M1536-F1539 HydrophobicContact CE-CG 3.68Å; M1536-F1539 PolarHBondContact O-N 3.02Å; M1536-F1539 HydrophobicContact SD-CB 4.18Å; S1537-F1539 PolarHBondContact O-N 3.44Å; F1539-Q1541 VanDerWaalsContact C-N 3.27Å; F1539-Q1541 PolarHBondContact O-N 3.1Å; F1539-K1543 VanDerWaalsContact O-CA 3.24Å; F1539-K1543 WeakPolarHBondContact O-CA 3.47Å; F1539-K1543 PolarHBondContact O-N 2.88Å; F1539-K1544 VanDerWaalsContact CD2-O 3.25Å; F1539-K1544 WeakPolarHBondContact CD2-O 3.45Å; F1539-L1545 HydrophobicContact CD2-CD2 4.02Å; F1539-L1545 HydrophobicContact CD2-CG 4.25Å; F1539-L1545 HydrophobicContact CE2-CD2 4.11Å; F1539-L1545 HydrophobicContact CE2-CG 4.11Å; F1539-V1661 HydrophobicContact CD1-CG1 4.48Å; F1539-V1661 HydrophobicContact CE1-CG1 3.89Å; F1539-V1661 HydrophobicContact CE2-CG1 3.98Å; F1539-V1661 HydrophobicContact CZ-CB 4.29Å; F1539-V1661 HydrophobicContact CZ-CG1 3.61Å; F1539-R1662 HydrophobicContact CZ-CB 4.34Å; F1539-L1665 HydrophobicContact CD1-CD1 3.57Å; F1539-L1665 HydrophobicContact CE1-CD1 3.53Å |
| 1540 | Q | 72.2 | Confident | 72.9 | Confident | 136 Ų | 136 | 61.7 Ų | 61.7 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65 | -31.6 | -179.2 | -69.2 | 173.7 | 36.1 | 0 | 0 | 112.4 | M1536 S1537 S1538 | M1536-Q1540 WeakPolarHBondContact O-CG 3.22Å; M1536-Q1540 PolarHBondContact O-N 2.81Å; S1537-Q1540 PolarHBondContact O-N 3.17Å; S1538-Q1540 VanDerWaalsContact C-N 3.33Å; S1538-Q1540 PolarHBondContact O-N 2.92Å |
| 1541 | Q | 74 | Confident | 73.5 | Confident | 157 Ų | 157 | 59.2 Ų | 59.2 | 73% | 0.734 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -83.9 | -53.2 | 177.8 | -61.3 | 176.2 | 24.5 | 0 | 0 | 112 | S1537 S1538 F1539 | S1537-Q1541 PolarHBondContact O-N 3.06Å; S1538-Q1541 PolarHBondContact O-N 3.27Å; F1539-Q1541 VanDerWaalsContact C-N 3.27Å; F1539-Q1541 PolarHBondContact O-N 3.1Å |
| 1542 | T | 78.4 | Confident | 73.9 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -84.2 | -21 | -170.5 | 65.1 | 0 | 0 | 0 | 0 | 114.1 | S1538 K1544 | S1538-T1542 WeakPolarHBondContact O-CB 3.48Å; S1538-T1542 WeakPolarHBondContact O-CG2 3.48Å; S1538-T1542 PolarHBondContact O-N 2.95Å; S1538-T1542 PolarHBondContact O-OG1 3.41Å; T1542-K1544 PolarHBondContact O-N 3.16Å; T1542-K1544 PolarHBondContact OG1-N 2.92Å; T1542-K1544 PolarHBondContact OG1-O 3.38Å |
| 1543 | K | 77.3 | Confident | 74.4 | Confident | 153 Ų | 153 | 65.2 Ų | 65.2 | 67% | 0.665 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 58.5 | 13.4 | -167.9 | -56 | 170.1 | -174 | 163.8 | 0 | 114.4 | F1539 | F1539-K1543 VanDerWaalsContact O-CA 3.24Å; F1539-K1543 WeakPolarHBondContact O-CA 3.47Å; F1539-K1543 PolarHBondContact O-N 2.88Å |
| 1544 | K | 80.2 | Confident | 74.9 | Confident | 143 Ų | 143 | 66.7 Ų | 66.7 | 62% | 0.622 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -111.4 | 147 | 175.2 | -67.4 | -179.2 | 179.1 | 178.3 | 0 | 109.8 | F1539 T1542 E1658 | F1539-K1544 VanDerWaalsContact CD2-O 3.25Å; F1539-K1544 WeakPolarHBondContact CD2-O 3.45Å; T1542-K1544 PolarHBondContact O-N 3.16Å; T1542-K1544 PolarHBondContact OG1-N 2.92Å; T1542-K1544 PolarHBondContact OG1-O 3.38Å; K1544-E1658 VanDerWaalsContact CA-OE1 3.27Å; K1544-E1658 WeakPolarHBondContact CA-OE1 3.39Å |
| 1545 | L | 83 | Confident | 75.5 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 133 | 176.4 | -79.3 | 164.3 | 0 | 0 | 0 | 111.3 | F1539 N1547 L1654 V1657 E1658 V1661 A1678 H1680 V1687 | F1539-L1545 HydrophobicContact CD2-CD2 4.02Å; F1539-L1545 HydrophobicContact CD2-CG 4.25Å; F1539-L1545 HydrophobicContact CE2-CD2 4.11Å; F1539-L1545 HydrophobicContact CE2-CG 4.11Å; L1545-N1547 PolarHBondContact O-N 2.85Å; L1545-L1654 HydrophobicContact CD1-CD1 3.85Å; L1545-V1657 HydrophobicContact CD1-CG1 4.28Å; L1545-E1658 HydrophobicContact CB-CG 4.46Å; L1545-E1658 HydrophobicContact CD1-CG 3.78Å; L1545-E1658 HydrophobicContact CG-CG 3.84Å; L1545-E1658 PolarHBondContact N-OE1 3.1Å; L1545-V1661 HydrophobicContact CD2-CG1 4.36Å; L1545-V1661 HydrophobicContact CD2-CG2 4.4Å; L1545-A1678 HydrophobicContact CD2-CB 3.41Å; L1545-A1678 VanDerWaalsContact CD2-CB 3.41Å; L1545-H1680 HydrophobicContact CB-CB 3.58Å; L1545-H1680 HydrophobicContact CD1-CB 4.43Å; L1545-V1687 HydrophobicContact CD1-CB 4.49Å; L1545-V1687 HydrophobicContact CD1-CG1 3.65Å; L1545-V1687 HydrophobicContact CD1-CG2 3.96Å |
| 1546 | P | 78.4 | Confident | 76.2 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 138.3 | 176.4 | 24.8 | -30.7 | 0 | 0 | 0 | 109.5 | V1535 H1680 | V1535-P1546 HydrophobicContact CG1-CB 3.72Å; V1535-P1546 HydrophobicContact CG1-CG 3.39Å; P1546-H1680 PolarHBondContact O-N 3.05Å |
| 1547 | N | 70 | Confident | 76.7 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 44% | 0.444 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 172.4 | -176.2 | -74.6 | -22.8 | 0 | 0 | 0 | 111.7 | L1545 D1549 H1680 V1682 | L1545-N1547 PolarHBondContact O-N 2.85Å; N1547-D1549 PolarHBondContact O-N 2.8Å; N1547-H1680 CarbonylContact C-O 3.56Å; N1547-H1680 WeakPolarHBondContact CA-O 3.22Å; N1547-V1682 HydrophobicContact CB-CG2 3.83Å; N1547-V1682 WeakPolarHBondContact OD1-CG2 3.18Å |
| 1548 | S | 60.8 | Low | 77.3 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 2.3 | -166.9 | 58 | 0 | 0 | 0 | 0 | 117.9 | Y1552 H1680 K1683 | S1548-Y1552 WeakPolarHBondContact O-CE1 3.42Å; S1548-H1680 PolarHBondContact N-O 3.17Å; S1548-K1683 WeakPolarHBondContact OG-CD 3.49Å |
| 1549 | D | 54.5 | Low | 78.3 | Confident | 75 Ų | 75 | 69.9 Ų | 69.9 | 40% | 0.401 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 8.6 | -157.8 | -62.9 | -6.8 | 0 | 0 | 0 | 112.8 | N1547 Y1552 K1683 | N1547-D1549 PolarHBondContact O-N 2.8Å; D1549-Y1552 VanDerWaalsContact CA-OH 3.29Å; D1549-Y1552 WeakPolarHBondContact CA-OH 3.35Å; D1549-Y1552 WeakPolarHBondContact O-CE2 3.3Å; D1549-Y1552 PolarHBondContact O-OH 2.71Å; D1549-K1683 WeakPolarHBondContact OD1-CE 3.3Å; D1549-K1683 IonicContact OD1-NZ 2.77Å; D1549-K1683 PolarHBondContact OD1-NZ 2.8Å; D1549-K1683 IonicContact OD2-NZ 3.29Å; D1549-K1683 PolarHBondContact OD2-NZ 3.2Å |
| 1550 | E | 63.8 | Low | 78.9 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 34% | 0.341 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -137.7 | 144.1 | 172.7 | -47.8 | 179.2 | 145.5 | 0 | 0 | 109.8 | V1535 | V1535-E1550 HydrophobicContact CB-CB 4.4Å; V1535-E1550 HydrophobicContact CG1-CB 4.21Å; V1535-E1550 HydrophobicContact CG2-CB 3.35Å; V1535-E1550 HydrophobicContact CG2-CG 4.33Å; V1535-E1550 WeakPolarHBondContact CG2-OE2 3.39Å |
| 1551 | Y | 78.4 | Confident | 79.7 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 61.4 | 72.8 | 178.5 | -159 | -104.3 | 0 | 0 | 0 | 115.6 | I1529 L1532 D1556 W1557 D1576 F1690 | I1529-Y1551 HydrophobicContact CG2-CE2 3.92Å; L1532-Y1551 HydrophobicContact CB-CD1 4.3Å; L1532-Y1551 HydrophobicContact CB-CD2 4.31Å; L1532-Y1551 HydrophobicContact CB-CE1 4.15Å; L1532-Y1551 HydrophobicContact CB-CE2 4.17Å; L1532-Y1551 HydrophobicContact CB-CG 4.39Å; L1532-Y1551 HydrophobicContact CD1-CD1 3.89Å; L1532-Y1551 HydrophobicContact CD1-CE1 4.14Å; L1532-Y1551 HydrophobicContact CD1-CG 4.46Å; Y1551-D1556 WeakPolarHBondContact CA-OD2 3.32Å; Y1551-D1556 HydrophobicContact CD2-CB 3.41Å; Y1551-D1556 VanDerWaalsContact CD2-CB 3.41Å; Y1551-D1556 HydrophobicContact CE2-CB 3.56Å; Y1551-D1556 HydrophobicContact CG-CB 3.99Å; Y1551-W1557 AromaticContact CD1-CD1 3.71Å; Y1551-W1557 HydrophobicContact CE1-CB 4.37Å; Y1551-W1557 AromaticContact CE1-CD1 3.46Å; Y1551-W1557 VanDerWaalsContact CE1-CD1 3.46Å; Y1551-W1557 HydrophobicContact CE1-CG 4.11Å; Y1551-W1557 PolarHBondContact O-NE1 3.38Å; Y1551-D1576 WeakPolarHBondContact CE2-OD1 3.39Å; Y1551-D1576 PolarHBondContact OH-OD1 2.85Å; Y1551-F1690 HydrophobicContact CD1-CE1 4.1Å; Y1551-F1690 HydrophobicContact CD1-CE2 4.16Å; Y1551-F1690 AromaticContact CD1-CZ 3.85Å; Y1551-F1690 HydrophobicContact CD1-CZ 3.85Å; Y1551-F1690 AromaticContact CE1-CD1 3.85Å; Y1551-F1690 HydrophobicContact CE1-CD1 3.85Å; Y1551-F1690 AromaticContact CE1-CE1 3.57Å; Y1551-F1690 HydrophobicContact CE1-CE1 3.57Å; Y1551-F1690 HydrophobicContact CE1-CE2 4.31Å; Y1551-F1690 HydrophobicContact CE1-CG 4.36Å; Y1551-F1690 AromaticContact CE1-CZ 3.82Å; Y1551-F1690 HydrophobicContact CE1-CZ 3.82Å |
| 1552 | Y | 79.8 | Confident | 80.4 | Confident | 107 Ų | 107 | 64.1 Ų | 64.1 | 42% | 0.42 | 33% | 0.333 | S | S | . | . | trans | -90.6 | 144.9 | -168.3 | -66.5 | -92.3 | 0 | 0 | 0 | 115.5 | S1548 D1549 V1555 D1556 W1557 | S1548-Y1552 WeakPolarHBondContact O-CE1 3.42Å; D1549-Y1552 VanDerWaalsContact CA-OH 3.29Å; D1549-Y1552 WeakPolarHBondContact CA-OH 3.35Å; D1549-Y1552 WeakPolarHBondContact O-CE2 3.3Å; D1549-Y1552 PolarHBondContact O-OH 2.71Å; Y1552-V1555 PolarHBondContact O-N 2.81Å; Y1552-D1556 PolarHBondContact N-OD2 3.27Å; Y1552-D1556 PolarHBondContact O-N 2.8Å; Y1552-W1557 PolarHBondContact O-N 3.31Å | ||
| 1553 | E | 86.9 | Confident | 80.9 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -65.3 | 130.5 | 167.4 | -172.4 | -175.5 | 176.4 | 0 | 0 | 111.4 | V1555 W1557 R1559 R1587 R1684 | E1553-V1555 VanDerWaalsContact C-N 3.33Å; E1553-W1557 CarbonylContact C-O 3.28Å; E1553-W1557 WeakPolarHBondContact CA-O 3.3Å; E1553-W1557 HydrophobicContact CB-CD2 4.39Å; E1553-W1557 HydrophobicContact CB-CH2 4.06Å; E1553-W1557 HydrophobicContact CB-CZ2 3.59Å; E1553-W1557 HydrophobicContact CG-CD2 4.48Å; E1553-W1557 HydrophobicContact CG-CE3 4.37Å; E1553-W1557 HydrophobicContact CG-CH2 3.78Å; E1553-W1557 HydrophobicContact CG-CZ2 3.87Å; E1553-W1557 HydrophobicContact CG-CZ3 4.04Å; E1553-R1559 IonicContact OE1-CZ 3.23Å; E1553-R1559 IonicContact OE1-NE 2.72Å; E1553-R1559 PolarHBondContact OE1-NE 2.76Å; E1553-R1559 IonicContact OE1-NH2 3.62Å; E1553-R1559 PolarHBondContact OE1-NH2 2.77Å; E1553-R1559 IonicContact OE2-NH2 3.52Å; E1553-R1587 IonicContact OE1-NH1 3.75Å; E1553-R1587 IonicContact OE2-CZ 2.73Å; E1553-R1587 VanDerWaalsContact OE2-CZ 3.27Å; E1553-R1587 IonicContact OE2-NH1 3.52Å; E1553-R1587 PolarHBondContact OE2-NH1 3.19Å; E1553-R1587 IonicContact OE2-NH2 2.66Å; E1553-R1587 PolarHBondContact OE2-NH2 2.89Å; E1553-R1684 IonicContact OE2-NH1 3.37Å; E1553-R1684 PolarHBondContact OE2-NH1 3.09Å |
| 1554 | S | 85.4 | Confident | 81 | Confident | 82 Ų | 82 | 58.9 Ų | 58.9 | 57% | 0.573 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 4.9 | -173.6 | -22.3 | 0 | 0 | 0 | 0 | 115.8 | W1557 | S1554-W1557 PolarHBondContact N-O 2.83Š|
| 1555 | V | 83.3 | Confident | 80.9 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -61.7 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | Y1552 E1553 V1577 | Y1552-V1555 PolarHBondContact O-N 2.81Å; E1553-V1555 VanDerWaalsContact C-N 3.33Å; V1555-V1577 WeakPolarHBondContact O-CB 3.31Å; V1555-V1577 WeakPolarHBondContact O-CG2 3.31Å |
| 1556 | D | 86.3 | Confident | 80.1 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 23% | 0.225 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -29.8 | 176.9 | -65.2 | -94.2 | 0 | 0 | 0 | 112.4 | Y1551 Y1552 V1577 | Y1551-D1556 WeakPolarHBondContact CA-OD2 3.32Å; Y1551-D1556 HydrophobicContact CD2-CB 3.41Å; Y1551-D1556 VanDerWaalsContact CD2-CB 3.41Å; Y1551-D1556 HydrophobicContact CE2-CB 3.56Å; Y1551-D1556 HydrophobicContact CG-CB 3.99Å; Y1552-D1556 PolarHBondContact N-OD2 3.27Å; Y1552-D1556 PolarHBondContact O-N 2.8Å; D1556-V1577 WeakPolarHBondContact O-CB 3.24Å; D1556-V1577 PolarHBondContact O-N 3.44Å |
| 1557 | W | 91.9 | Very high | 79.2 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 140.7 | 178.1 | 65.3 | -85.1 | 0 | 0 | 0 | 112.5 | Y1551 Y1552 E1553 S1554 R1559 A1574 R1575 V1585 D1688 F1690 | Y1551-W1557 AromaticContact CD1-CD1 3.71Å; Y1551-W1557 HydrophobicContact CE1-CB 4.37Å; Y1551-W1557 AromaticContact CE1-CD1 3.46Å; Y1551-W1557 VanDerWaalsContact CE1-CD1 3.46Å; Y1551-W1557 HydrophobicContact CE1-CG 4.11Å; Y1551-W1557 PolarHBondContact O-NE1 3.38Å; Y1552-W1557 PolarHBondContact O-N 3.31Å; E1553-W1557 CarbonylContact C-O 3.28Å; E1553-W1557 WeakPolarHBondContact CA-O 3.3Å; E1553-W1557 HydrophobicContact CB-CD2 4.39Å; E1553-W1557 HydrophobicContact CB-CH2 4.06Å; E1553-W1557 HydrophobicContact CB-CZ2 3.59Å; E1553-W1557 HydrophobicContact CG-CD2 4.48Å; E1553-W1557 HydrophobicContact CG-CE3 4.37Å; E1553-W1557 HydrophobicContact CG-CH2 3.78Å; E1553-W1557 HydrophobicContact CG-CZ2 3.87Å; E1553-W1557 HydrophobicContact CG-CZ3 4.04Å; S1554-W1557 PolarHBondContact N-O 2.83Å; W1557-R1559 HydrophobicContact CZ3-CB 3.91Å; W1557-R1559 HydrophobicContact CZ3-CG 4.16Å; W1557-A1574 HydrophobicContact CE3-CB 3.78Å; W1557-A1574 HydrophobicContact CZ3-CB 4.13Å; W1557-R1575 CarbonylContact C-O 3.55Å; W1557-R1575 VanDerWaalsContact CA-O 3.23Å; W1557-R1575 WeakPolarHBondContact CA-O 3.4Å; W1557-V1585 HydrophobicContact CE3-CG2 4.27Å; W1557-V1585 HydrophobicContact CH2-CB 4.42Å; W1557-V1585 HydrophobicContact CH2-CG1 3.89Å; W1557-V1585 HydrophobicContact CH2-CG2 4.34Å; W1557-V1585 HydrophobicContact CZ2-CG1 4.41Å; W1557-V1585 HydrophobicContact CZ3-CB 4.36Å; W1557-V1585 HydrophobicContact CZ3-CG1 4.32Å; W1557-V1585 HydrophobicContact CZ3-CG2 4.04Å; W1557-D1688 WeakPolarHBondContact CZ2-OD2 3.31Å; W1557-F1690 AromaticContact CD1-CE1 3.75Å; W1557-F1690 AromaticContact CD2-CE1 3.74Å; W1557-F1690 HydrophobicContact CD2-CE1 3.74Å; W1557-F1690 HydrophobicContact CD2-CZ 4.34Å; W1557-F1690 AromaticContact CE2-CE1 3.5Å; W1557-F1690 VanDerWaalsContact CE2-CE1 3.5Å; W1557-F1690 AromaticContact CE2-CZ 3.63Å; W1557-F1690 HydrophobicContact CE3-CE1 4.43Å; W1557-F1690 AromaticContact CG-CE1 3.88Å; W1557-F1690 HydrophobicContact CG-CE1 3.88Å; W1557-F1690 AromaticContact CZ2-CE1 3.96Å; W1557-F1690 HydrophobicContact CZ2-CE1 3.96Å; W1557-F1690 AromaticContact CZ2-CZ 3.89Å; W1557-F1690 HydrophobicContact CZ2-CZ 3.89Å; W1557-F1690 AromaticContact NE1-CE1 3.53Å; W1557-F1690 AromaticContact NE1-CZ 3.43Å |
| 1558 | I | 89.2 | Confident | 79 | Confident | 94 Ų | 94 | 65 Ų | 65 | 48% | 0.482 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.8 | 178 | -66.4 | 164.2 | 0 | 0 | 0 | 109.3 | A1574 R1575 V1577 | I1558-A1574 CarbonylContact O-C 3.56Å; I1558-A1574 WeakPolarHBondContact O-CA 3.47Å; I1558-A1574 WeakPolarHBondContact O-CB 3.35Å; I1558-R1575 PolarHBondContact N-O 2.77Å; I1558-R1575 PolarHBondContact O-N 3.44Å; I1558-V1577 HydrophobicContact CD1-CG2 3.88Å; I1558-V1577 HydrophobicContact CG1-CG2 3.73Å |
| 1559 | R | 92.4 | Very high | 79.9 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 37% | 0.366 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.4 | 173.7 | -161.4 | -154.9 | -54 | -177.9 | 15.1 | 110.5 | E1553 W1557 Y1572 R1587 | E1553-R1559 IonicContact OE1-CZ 3.23Å; E1553-R1559 IonicContact OE1-NE 2.72Å; E1553-R1559 PolarHBondContact OE1-NE 2.76Å; E1553-R1559 IonicContact OE1-NH2 3.62Å; E1553-R1559 PolarHBondContact OE1-NH2 2.77Å; E1553-R1559 IonicContact OE2-NH2 3.52Å; W1557-R1559 HydrophobicContact CZ3-CB 3.91Å; W1557-R1559 HydrophobicContact CZ3-CG 4.16Å; R1559-Y1572 VanDerWaalsContact CD-CD1 3.46Å; R1559-Y1572 HydrophobicContact CG-CD1 3.96Å; R1559-Y1572 HydrophobicContact CG-CD2 4.29Å; R1559-Y1572 HydrophobicContact CG-CG 3.74Å; R1559-Y1572 PolarHBondContact NH1-OH 3.43Å; R1559-R1587 VanDerWaalsContact NH2-NH1 3.17Å |
| 1560 | G | 91.1 | Very high | 81.5 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 33% | 0.33 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -159 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | Q1573 | G1560-Q1573 WeakPolarHBondContact CA-O 3.38Å; G1560-Q1573 PolarHBondContact N-O 3.27Å |
| 1561 | P | 89.3 | Confident | 82.8 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 159.1 | -179.2 | 26.9 | -36.4 | 0 | 0 | 0 | 113 | L1563 Q1573 | P1561-L1563 PolarHBondContact O-N 3.34Å; P1561-Q1573 HydrophobicContact CG-CB 4.23Å; P1561-Q1573 PolarHBondContact O-N 2.85Å |
| 1562 | I | 88.9 | Confident | 83.6 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 35% | 0.349 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 123.4 | 174.7 | -165.4 | 155.3 | 0 | 0 | 0 | 110.3 | Q1570 C1571 Y1572 | I1562-Q1570 HydrophobicContact CD1-CB 4.2Å; I1562-Q1570 HydrophobicContact CD1-CG 4.4Å; I1562-C1571 WeakPolarHBondContact CG1-O 3.42Å; I1562-Y1572 HydrophobicContact CB-CD1 4.02Å; I1562-Y1572 HydrophobicContact CB-CE1 4.16Å; I1562-Y1572 HydrophobicContact CD1-CD1 4.41Å; I1562-Y1572 HydrophobicContact CD1-CE1 3.9Å; I1562-Y1572 HydrophobicContact CG1-CD1 4.18Å; I1562-Y1572 HydrophobicContact CG1-CE1 4.17Å |
| 1563 | L | 87.3 | Confident | 84.2 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -25.6 | 176.8 | -63.5 | 171.5 | 0 | 0 | 0 | 111.8 | P1561 C1571 Q1573 A1584 | P1561-L1563 PolarHBondContact O-N 3.34Å; L1563-C1571 WeakPolarHBondContact CA-O 3.45Å; L1563-C1571 PolarHBondContact N-O 2.92Å; L1563-Q1573 HydrophobicContact CD1-CB 4.16Å; L1563-Q1573 HydrophobicContact CD2-CB 4.19Å; L1563-Q1573 HydrophobicContact CG-CB 4.11Å; L1563-A1584 HydrophobicContact CD1-CB 4.04Å |
| 1564 | G | 80.2 | Confident | 84.5 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | 170.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1571 | G1564-C1571 PolarHBondContact N-O 3.19Å; G1564-C1571 PolarHBondContact O-N 2.76Å |
| 1565 | H | 77.9 | Confident | 84.8 | Confident | 163 Ų | 163 | 58.4 Ų | 58.4 | 76% | 0.755 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.5 | 175.2 | -66.5 | 82.7 | 0 | 0 | 0 | 110.6 | Q1570 | H1565-Q1570 PolarHBondContact NE2-NE2 3.37Å |
| 1566 | G | 66.6 | Low | 85.1 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | trans | -107.8 | 168.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F1568 S1569 | G1566-F1568 PolarHBondContact O-N 3.49Å; G1566-S1569 PolarHBondContact N-O 3.04Å; G1566-S1569 PolarHBondContact O-N 3.44Å; G1566-S1569 VanDerWaalsContact O-O 3.1Å | ||
| 1567 | A | 60 | Low | 85.2 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 82% | 0.818 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -52 | -33 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1568 | F | 64.9 | Low | 84.6 | Confident | 70 Ų | 70 | 63.6 Ų | 63.6 | 31% | 0.307 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -128.5 | 6.6 | 169.9 | -44.1 | -78.4 | 0 | 0 | 0 | 111.8 | G1566 R1589 F1596 | G1566-F1568 PolarHBondContact O-N 3.49Å; F1568-R1589 PolarHBondContact O-N 2.73Å; F1568-F1596 AromaticContact CD2-CD2 3.93Å; F1568-F1596 HydrophobicContact CD2-CD2 3.93Å; F1568-F1596 AromaticContact CD2-CE2 3.86Å; F1568-F1596 HydrophobicContact CD2-CE2 3.86Å; F1568-F1596 AromaticContact CE2-CD2 3.83Å; F1568-F1596 HydrophobicContact CE2-CD2 3.83Å; F1568-F1596 HydrophobicContact CE2-CE2 4.04Å |
| 1569 | S | 80.7 | Confident | 84.3 | Confident | 17 Ų | 17 | 62 Ų | 62 | 12% | 0.119 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.8 | -178.1 | 67.9 | 0 | 0 | 0 | 0 | 115.8 | G1566 K1586 R1587 | G1566-S1569 PolarHBondContact N-O 3.04Å; G1566-S1569 PolarHBondContact O-N 3.44Å; G1566-S1569 VanDerWaalsContact O-O 3.1Å; S1569-K1586 WeakPolarHBondContact OG-CE 3.33Å; S1569-R1587 WeakPolarHBondContact CB-O 3.23Å |
| 1570 | Q | 87.1 | Confident | 83.7 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.6 | 150.5 | -63.5 | -172.4 | -71.1 | 0 | 0 | 109.6 | I1562 H1565 Y1572 R1587 | I1562-Q1570 HydrophobicContact CD1-CB 4.2Å; I1562-Q1570 HydrophobicContact CD1-CG 4.4Å; H1565-Q1570 PolarHBondContact NE2-NE2 3.37Å; Q1570-Y1572 HydrophobicContact CB-CD2 4.4Å; Q1570-Y1572 HydrophobicContact CB-CE2 3.56Å; Q1570-Y1572 PolarHBondContact NE2-OH 3.4Å; Q1570-Y1572 PolarHBondContact OE1-OH 2.86Å; Q1570-R1587 PolarHBondContact N-O 2.78Å; Q1570-R1587 PolarHBondContact O-N 3.39Å |
| 1571 | C | 91.8 | Very high | 83.5 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 25% | 0.25 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 112.8 | 179.8 | -67.5 | 0 | 0 | 0 | 0 | 109.1 | I1562 L1563 G1564 V1585 | I1562-C1571 WeakPolarHBondContact CG1-O 3.42Å; L1563-C1571 WeakPolarHBondContact CA-O 3.45Å; L1563-C1571 PolarHBondContact N-O 2.92Å; G1564-C1571 PolarHBondContact N-O 3.19Å; G1564-C1571 PolarHBondContact O-N 2.76Å; C1571-V1585 CarbonylContact C-O 3.57Å; C1571-V1585 WeakPolarHBondContact CA-O 3.43Å |
| 1572 | Y | 93.8 | Very high | 83.5 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 8% | 0.078 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 151.5 | 177.4 | -57.2 | -82.3 | 0 | 0 | 0 | 110.8 | R1559 I1562 Q1570 A1584 V1585 R1587 | R1559-Y1572 VanDerWaalsContact CD-CD1 3.46Å; R1559-Y1572 HydrophobicContact CG-CD1 3.96Å; R1559-Y1572 HydrophobicContact CG-CD2 4.29Å; R1559-Y1572 HydrophobicContact CG-CG 3.74Å; R1559-Y1572 PolarHBondContact NH1-OH 3.43Å; I1562-Y1572 HydrophobicContact CB-CD1 4.02Å; I1562-Y1572 HydrophobicContact CB-CE1 4.16Å; I1562-Y1572 HydrophobicContact CD1-CD1 4.41Å; I1562-Y1572 HydrophobicContact CD1-CE1 3.9Å; I1562-Y1572 HydrophobicContact CG1-CD1 4.18Å; I1562-Y1572 HydrophobicContact CG1-CE1 4.17Å; Q1570-Y1572 HydrophobicContact CB-CD2 4.4Å; Q1570-Y1572 HydrophobicContact CB-CE2 3.56Å; Q1570-Y1572 PolarHBondContact NE2-OH 3.4Å; Q1570-Y1572 PolarHBondContact OE1-OH 2.86Å; Y1572-A1584 CarbonylContact O-C 3.59Å; Y1572-A1584 VanDerWaalsContact O-CA 3.32Å; Y1572-A1584 WeakPolarHBondContact O-CA 3.46Å; Y1572-V1585 PolarHBondContact N-O 3.18Å; Y1572-V1585 PolarHBondContact O-N 2.95Å; Y1572-R1587 HydrophobicContact CD2-CB 4.46Å; Y1572-R1587 HydrophobicContact CE2-CB 4.12Å |
| 1573 | Q | 93.8 | Very high | 83.6 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 148.5 | 154.4 | -166.6 | 179.2 | 12.2 | 0 | 0 | 107.5 | G1560 P1561 L1563 L1583 | G1560-Q1573 WeakPolarHBondContact CA-O 3.38Å; G1560-Q1573 PolarHBondContact N-O 3.27Å; P1561-Q1573 HydrophobicContact CG-CB 4.23Å; P1561-Q1573 PolarHBondContact O-N 2.85Å; L1563-Q1573 HydrophobicContact CD1-CB 4.16Å; L1563-Q1573 HydrophobicContact CD2-CB 4.19Å; L1563-Q1573 HydrophobicContact CG-CB 4.11Å; Q1573-L1583 CarbonylContact C-O 3.51Å; Q1573-L1583 WeakPolarHBondContact CA-O 3.34Å |
| 1574 | A | 93.3 | Very high | 83.9 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 163.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | W1557 I1558 L1582 L1583 V1585 | W1557-A1574 HydrophobicContact CE3-CB 3.78Å; W1557-A1574 HydrophobicContact CZ3-CB 4.13Å; I1558-A1574 CarbonylContact O-C 3.56Å; I1558-A1574 WeakPolarHBondContact O-CA 3.47Å; I1558-A1574 WeakPolarHBondContact O-CB 3.35Å; A1574-L1582 WeakPolarHBondContact O-CA 3.48Å; A1574-L1583 HydrophobicContact CB-CB 4.28Å; A1574-L1583 PolarHBondContact N-O 2.83Å; A1574-L1583 PolarHBondContact O-N 2.79Å; A1574-V1585 HydrophobicContact CB-CB 4.46Å; A1574-V1585 HydrophobicContact CB-CG2 3.55Å |
| 1575 | R | 91.4 | Very high | 84.6 | Confident | 106 Ų | 106 | 49.6 Ų | 49.6 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124 | 168.3 | -166 | -170.8 | -72.2 | -94.8 | 18.4 | 108.8 | W1557 I1558 V1577 G1580 L1581 L1582 | W1557-R1575 CarbonylContact C-O 3.55Å; W1557-R1575 VanDerWaalsContact CA-O 3.23Å; W1557-R1575 WeakPolarHBondContact CA-O 3.4Å; I1558-R1575 PolarHBondContact N-O 2.77Å; I1558-R1575 PolarHBondContact O-N 3.44Å; R1575-V1577 PolarHBondContact O-N 3.27Å; R1575-G1580 VanDerWaalsContact CG-O 3.27Å; R1575-G1580 WeakPolarHBondContact CG-O 3.45Å; R1575-G1580 PolarHBondContact NH1-O 2.77Å; R1575-L1581 WeakPolarHBondContact CA-O 3.24Å; R1575-L1582 HydrophobicContact CB-CD2 4.02Å; R1575-L1582 HydrophobicContact CG-CD2 4.12Å |
| 1576 | D | 90.2 | Very high | 85.3 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 126.9 | 165.8 | 174 | 91.4 | 0 | 0 | 0 | 108.8 | I1529 Y1551 R1578 T1579 G1580 L1581 L1583 | I1529-D1576 WeakPolarHBondContact CG2-OD1 3.5Å; Y1551-D1576 WeakPolarHBondContact CE2-OD1 3.39Å; Y1551-D1576 PolarHBondContact OH-OD1 2.85Å; D1576-R1578 PolarHBondContact O-N 3.39Å; D1576-R1578 PolarHBondContact OD2-N 2.78Å; D1576-T1579 WeakPolarHBondContact CB-OG1 3.46Å; D1576-T1579 VanDerWaalsContact CG-OG1 3.29Å; D1576-T1579 WeakPolarHBondContact OD2-CB 3.36Å; D1576-T1579 WeakPolarHBondContact OD2-CG2 3.17Å; D1576-T1579 PolarHBondContact OD2-N 3.14Å; D1576-T1579 PolarHBondContact OD2-OG1 3.1Å; D1576-G1580 VanDerWaalsContact O-CA 3.26Å; D1576-G1580 WeakPolarHBondContact O-CA 3.49Å; D1576-G1580 PolarHBondContact O-N 3.24Å; D1576-L1581 PolarHBondContact N-O 2.82Å; D1576-L1583 HydrophobicContact CB-CD1 4.05Å |
| 1577 | V | 86.5 | Confident | 86.4 | Confident | 73 Ų | 73 | 41.4 Ų | 41.4 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -38.3 | -170.3 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | V1555 D1556 I1558 R1575 | V1555-V1577 WeakPolarHBondContact O-CB 3.31Å; V1555-V1577 WeakPolarHBondContact O-CG2 3.31Å; D1556-V1577 WeakPolarHBondContact O-CB 3.24Å; D1556-V1577 PolarHBondContact O-N 3.44Å; I1558-V1577 HydrophobicContact CD1-CG2 3.88Å; I1558-V1577 HydrophobicContact CG1-CG2 3.73Å; R1575-V1577 PolarHBondContact O-N 3.27Å |
| 1578 | R | 80.6 | Confident | 87.8 | Confident | 155 Ų | 155 | 37.3 Ų | 37.3 | 59% | 0.585 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -35.6 | -174.7 | 171.6 | 167.6 | 44.3 | 167.8 | -17.9 | 113.6 | G1531 D1576 | G1531-R1578 VanDerWaalsContact CA-NH2 3.32Å; D1576-R1578 PolarHBondContact O-N 3.39Å; D1576-R1578 PolarHBondContact OD2-N 2.78Å |
| 1579 | T | 82 | Confident | 88.7 | Confident | 59 Ų | 59 | 40.8 Ų | 40.8 | 36% | 0.362 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -11.7 | -177.9 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | D1576 L1581 | D1576-T1579 WeakPolarHBondContact CB-OG1 3.46Å; D1576-T1579 VanDerWaalsContact CG-OG1 3.29Å; D1576-T1579 WeakPolarHBondContact OD2-CB 3.36Å; D1576-T1579 WeakPolarHBondContact OD2-CG2 3.17Å; D1576-T1579 PolarHBondContact OD2-N 3.14Å; D1576-T1579 PolarHBondContact OD2-OG1 3.1Å; T1579-L1581 PolarHBondContact O-N 2.93Å; T1579-L1581 VanDerWaalsContact O-N 3.1Å; T1579-L1581 WeakPolarHBondContact OG1-CB 3.39Å; T1579-L1581 PolarHBondContact OG1-N 3.37Å |
| 1580 | G | 81.1 | Confident | 88.6 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 31% | 0.309 | 20% | 0.198 | S | C | . | . | trans | 67.6 | 0 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1575 D1576 | R1575-G1580 VanDerWaalsContact CG-O 3.27Å; R1575-G1580 WeakPolarHBondContact CG-O 3.45Å; R1575-G1580 PolarHBondContact NH1-O 2.77Å; D1576-G1580 VanDerWaalsContact O-CA 3.26Å; D1576-G1580 WeakPolarHBondContact O-CA 3.49Å; D1576-G1580 PolarHBondContact O-N 3.24Å | ||
| 1581 | L | 85.9 | Confident | 87.2 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | trans | -66.1 | 130.9 | -172 | -179.6 | 60.6 | 0 | 0 | 0 | 111.3 | L1526 I1529 R1575 D1576 T1579 L1583 | L1526-L1581 HydrophobicContact CD2-CD1 4.33Å; I1529-L1581 HydrophobicContact CD1-CD2 4.42Å; I1529-L1581 HydrophobicContact CG1-CD2 4.13Å; R1575-L1581 WeakPolarHBondContact CA-O 3.24Å; D1576-L1581 PolarHBondContact N-O 2.82Å; T1579-L1581 PolarHBondContact O-N 2.93Å; T1579-L1581 VanDerWaalsContact O-N 3.1Å; T1579-L1581 WeakPolarHBondContact OG1-CB 3.39Å; T1579-L1581 PolarHBondContact OG1-N 3.37Å; L1581-L1583 HydrophobicContact CD2-CD2 3.83Å; L1581-L1583 HydrophobicContact CG-CD2 3.83Å; L1581-L1583 HydrophobicContact CG-CG 4.39Å | ||
| 1582 | L | 89.2 | Confident | 85.2 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 133.6 | 173.7 | -69.1 | 174.7 | 0 | 0 | 0 | 111.3 | A1574 R1575 W1693 | A1574-L1582 WeakPolarHBondContact O-CA 3.48Å; R1575-L1582 HydrophobicContact CB-CD2 4.02Å; R1575-L1582 HydrophobicContact CG-CD2 4.12Å; L1582-W1693 HydrophobicContact CB-CD2 4.14Å; L1582-W1693 HydrophobicContact CB-CE3 3.63Å; L1582-W1693 HydrophobicContact CB-CZ3 4.03Å; L1582-W1693 HydrophobicContact CD1-CE3 4.02Å; L1582-W1693 HydrophobicContact CD1-CH2 3.83Å; L1582-W1693 HydrophobicContact CD1-CZ3 3.5Å; L1582-W1693 HydrophobicContact CG-CE3 4.49Å; L1582-W1693 HydrophobicContact CG-CZ3 4.42Å |
| 1583 | L | 92 | Very high | 82.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 164.3 | -168.5 | -58.4 | 174.4 | 0 | 0 | 0 | 110.6 | I1529 Q1573 A1574 D1576 L1581 F1676 | I1529-L1583 HydrophobicContact CD1-CD1 3.66Å; I1529-L1583 HydrophobicContact CD1-CD2 3.88Å; I1529-L1583 HydrophobicContact CD1-CG 4.43Å; Q1573-L1583 CarbonylContact C-O 3.51Å; Q1573-L1583 WeakPolarHBondContact CA-O 3.34Å; A1574-L1583 HydrophobicContact CB-CB 4.28Å; A1574-L1583 PolarHBondContact N-O 2.83Å; A1574-L1583 PolarHBondContact O-N 2.79Å; D1576-L1583 HydrophobicContact CB-CD1 4.05Å; L1581-L1583 HydrophobicContact CD2-CD2 3.83Å; L1581-L1583 HydrophobicContact CG-CD2 3.83Å; L1581-L1583 HydrophobicContact CG-CG 4.39Å; L1583-F1676 HydrophobicContact CD2-CD2 3.67Å; L1583-F1676 HydrophobicContact CD2-CE2 3.39Å; L1583-F1676 HydrophobicContact CD2-CZ 4.33Å |
| 1584 | A | 93.6 | Very high | 79.6 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1563 Y1572 I1691 | L1563-A1584 HydrophobicContact CD1-CB 4.04Å; Y1572-A1584 CarbonylContact O-C 3.59Å; Y1572-A1584 VanDerWaalsContact O-CA 3.32Å; Y1572-A1584 WeakPolarHBondContact O-CA 3.46Å; A1584-I1691 HydrophobicContact CB-CB 4.44Å; A1584-I1691 PolarHBondContact N-O 3.46Å; A1584-I1691 PolarHBondContact O-N 2.87Å |
| 1585 | V | 93.5 | Very high | 76.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 106.5 | 176.6 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | W1557 C1571 Y1572 A1574 R1587 D1688 L1689 F1690 | W1557-V1585 HydrophobicContact CE3-CG2 4.27Å; W1557-V1585 HydrophobicContact CH2-CB 4.42Å; W1557-V1585 HydrophobicContact CH2-CG1 3.89Å; W1557-V1585 HydrophobicContact CH2-CG2 4.34Å; W1557-V1585 HydrophobicContact CZ2-CG1 4.41Å; W1557-V1585 HydrophobicContact CZ3-CB 4.36Å; W1557-V1585 HydrophobicContact CZ3-CG1 4.32Å; W1557-V1585 HydrophobicContact CZ3-CG2 4.04Å; C1571-V1585 CarbonylContact C-O 3.57Å; C1571-V1585 WeakPolarHBondContact CA-O 3.43Å; Y1572-V1585 PolarHBondContact N-O 3.18Å; Y1572-V1585 PolarHBondContact O-N 2.95Å; A1574-V1585 HydrophobicContact CB-CB 4.46Å; A1574-V1585 HydrophobicContact CB-CG2 3.55Å; V1585-R1587 PolarHBondContact O-N 3.35Å; V1585-D1688 HydrophobicContact CG1-CB 3.87Å; V1585-L1689 CarbonylContact C-O 3.54Å; V1585-L1689 VanDerWaalsContact CA-O 3.31Å; V1585-L1689 WeakPolarHBondContact CA-O 3.24Å; V1585-F1690 HydrophobicContact CG1-CE1 4.34Å; V1585-F1690 HydrophobicContact CG2-CD1 3.53Å; V1585-F1690 HydrophobicContact CG2-CE1 3.65Å; V1585-F1690 HydrophobicContact CG2-CG 4.41Å |
| 1586 | K | 92.2 | Very high | 73.7 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 97.5 | 173.6 | 173.1 | 179.5 | 166.5 | -171.7 | 0 | 108.3 | S1569 I1588 E1660 L1689 I1691 D1756 | S1569-K1586 WeakPolarHBondContact OG-CE 3.33Å; K1586-I1588 HydrophobicContact CG-CG1 4.21Å; K1586-E1660 IonicContact NZ-OE1 2.77Å; K1586-E1660 PolarHBondContact NZ-OE1 3.18Å; K1586-E1660 IonicContact NZ-OE2 3.96Å; K1586-E1660 PolarHBondContact NZ-OE2 3.08Å; K1586-L1689 HydrophobicContact CB-CB 4.22Å; K1586-L1689 HydrophobicContact CD-CD1 4.18Å; K1586-L1689 HydrophobicContact CG-CD1 4.48Å; K1586-L1689 PolarHBondContact N-O 3.35Å; K1586-L1689 PolarHBondContact O-N 3.36Å; K1586-I1691 HydrophobicContact CB-CD1 3.91Å; K1586-I1691 HydrophobicContact CD-CD1 4.45Å; K1586-D1756 IonicContact NZ-OD1 3.68Å; K1586-D1756 PolarHBondContact NZ-OD1 3.39Å |
| 1587 | R | 91.5 | Very high | 70.6 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 115.3 | 176.9 | -179.3 | 163.9 | -72.1 | 178.3 | -6.2 | 110.6 | E1553 R1559 S1569 Q1570 Y1572 V1585 F1686 V1687 D1688 | E1553-R1587 IonicContact OE1-NH1 3.75Å; E1553-R1587 IonicContact OE2-CZ 2.73Å; E1553-R1587 VanDerWaalsContact OE2-CZ 3.27Å; E1553-R1587 IonicContact OE2-NH1 3.52Å; E1553-R1587 PolarHBondContact OE2-NH1 3.19Å; E1553-R1587 IonicContact OE2-NH2 2.66Å; E1553-R1587 PolarHBondContact OE2-NH2 2.89Å; R1559-R1587 VanDerWaalsContact NH2-NH1 3.17Å; S1569-R1587 WeakPolarHBondContact CB-O 3.23Å; Q1570-R1587 PolarHBondContact N-O 2.78Å; Q1570-R1587 PolarHBondContact O-N 3.39Å; Y1572-R1587 HydrophobicContact CD2-CB 4.46Å; Y1572-R1587 HydrophobicContact CE2-CB 4.12Å; V1585-R1587 PolarHBondContact O-N 3.35Å; R1587-F1686 HydrophobicContact CG-CB 4.13Å; R1587-F1686 HydrophobicContact CG-CD1 4.49Å; R1587-F1686 HydrophobicContact CG-CD2 3.93Å; R1587-F1686 HydrophobicContact CG-CE2 4.46Å; R1587-F1686 HydrophobicContact CG-CG 3.96Å; R1587-F1686 VanDerWaalsContact CZ-CE2 3.46Å; R1587-F1686 VanDerWaalsContact NE-CE2 3.31Å; R1587-V1687 CarbonylContact C-O 3.58Å; R1587-V1687 WeakPolarHBondContact CA-O 3.04Å; R1587-D1688 WeakPolarHBondContact CA-OD1 3.13Å; R1587-D1688 WeakPolarHBondContact CB-OD1 3.31Å; R1587-D1688 WeakPolarHBondContact CG-OD1 3.37Å; R1587-D1688 IonicContact CZ-OD1 3.61Å; R1587-D1688 IonicContact CZ-OD2 3.78Å; R1587-D1688 IonicContact NE-OD1 3.3Å; R1587-D1688 PolarHBondContact NE-OD1 2.77Å; R1587-D1688 IonicContact NE-OD2 2.65Å; R1587-D1688 PolarHBondContact NE-OD2 2.95Å; R1587-D1688 IonicContact NH2-OD1 2.77Å; R1587-D1688 IonicContact NH2-OD2 2.74Å; R1587-D1688 PolarHBondContact NH2-OD2 2.85Å |
| 1588 | I | 87.9 | Confident | 67.7 | Low | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.5 | -179 | -51.9 | 176.1 | 0 | 0 | 0 | 109.3 | K1586 V1657 F1686 V1687 L1689 | K1586-I1588 HydrophobicContact CG-CG1 4.21Å; I1588-V1657 HydrophobicContact CD1-CG1 4.03Å; I1588-V1657 HydrophobicContact CD1-CG2 3.74Å; I1588-V1657 HydrophobicContact CG2-CG2 4.16Å; I1588-F1686 CarbonylContact O-C 3.59Å; I1588-F1686 WeakPolarHBondContact O-CA 3.32Å; I1588-F1686 WeakPolarHBondContact O-CB 3.43Å; I1588-V1687 PolarHBondContact N-O 2.89Å; I1588-V1687 PolarHBondContact O-N 3.1Å; I1588-L1689 HydrophobicContact CD1-CD1 3.79Å; I1588-L1689 HydrophobicContact CD1-CG 4.24Å |
| 1589 | R | 83.6 | Confident | 65.1 | Low | 143 Ų | 143 | 63.1 Ų | 63.1 | 54% | 0.54 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.4 | 179.5 | -60.6 | -177 | -173.5 | -174 | 0.5 | 111.1 | F1568 | F1568-R1589 PolarHBondContact O-N 2.73Å |
| 1590 | L | 79 | Confident | 62.5 | Low | 15 Ų | 15 | 65.2 Ų | 65.2 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | trans | -96.6 | 120.9 | 179.9 | -61.4 | 177.6 | 0 | 0 | 0 | 110.7 | Q1653 L1654 H1680 G1685 V1687 | L1590-Q1653 HydrophobicContact CD2-CB 3.95Å; L1590-L1654 HydrophobicContact CD1-CB 4.32Å; L1590-L1654 HydrophobicContact CD1-CD1 4.2Å; L1590-L1654 HydrophobicContact CD2-CB 4.39Å; L1590-H1680 WeakPolarHBondContact CD1-NE2 3.15Å; L1590-G1685 PolarHBondContact N-O 2.91Å; L1590-V1687 HydrophobicContact CD1-CG2 4.06Å; L1590-V1687 HydrophobicContact CD2-CG2 4.4Å; L1590-V1687 HydrophobicContact CG-CG2 4.37Å | ||
| 1591 | G | 58 | Low | 59.9 | Low | 19 Ų | 19 | 68.2 Ų | 68.2 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 78.2 | 165.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1650 | G1591-S1650 WeakPolarHBondContact CA-OG 3.17Å; G1591-S1650 PolarHBondContact N-OG 3.08Å |
| 1592 | R | 49.9 | Very low | 57.1 | Low | 203 Ų | 203 | 74.6 Ų | 74.6 | 77% | 0.766 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 66.4 | 113.5 | -154.2 | -59.8 | 177.3 | 167 | -177.7 | -7.3 | 111.4 | G1594 | R1592-G1594 PolarHBondContact O-N 3.03Š|
| 1593 | N | 40.2 | Very low | 54.1 | Low | 136 Ų | 136 | 81.1 Ų | 81.1 | 73% | 0.727 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 48.6 | 38.8 | 172.5 | -63.7 | 12.2 | 0 | 0 | 0 | 117.6 | M1595 | N1593-M1595 PolarHBondContact O-N 3.47Š|
| 1594 | G | 30.2 | Very low | 51 | Low | 17 Ų | 17 | 87.9 Ų | 87.9 | 18% | 0.175 | 45% | 0.446 | C | S | . | . | trans | -68.7 | 82.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1592 F1596 | R1592-G1594 PolarHBondContact O-N 3.03Å; G1594-F1596 VanDerWaalsContact C-N 3.26Å; G1594-F1596 PolarHBondContact O-N 2.83Å | ||
| 1595 | M | 29.4 | Very low | 47.9 | Very low | 146 Ų | 146 | 96 Ų | 96 | 72% | 0.719 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 61.2 | 169.9 | -164.9 | -178.2 | 76.4 | 0 | 0 | 111.2 | N1593 | N1593-M1595 PolarHBondContact O-N 3.47Š|
| 1596 | F | 30.6 | Very low | 44.6 | Very low | 102 Ų | 102 | 100.4 Ų | 100.4 | 45% | 0.447 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -19.3 | 170 | -121 | -93.2 | 0 | 0 | 0 | 112.4 | F1568 G1594 E1656 | F1568-F1596 AromaticContact CD2-CD2 3.93Å; F1568-F1596 HydrophobicContact CD2-CD2 3.93Å; F1568-F1596 AromaticContact CD2-CE2 3.86Å; F1568-F1596 HydrophobicContact CD2-CE2 3.86Å; F1568-F1596 AromaticContact CE2-CD2 3.83Å; F1568-F1596 HydrophobicContact CE2-CD2 3.83Å; F1568-F1596 HydrophobicContact CE2-CE2 4.04Å; G1594-F1596 VanDerWaalsContact C-N 3.26Å; G1594-F1596 PolarHBondContact O-N 2.83Å; F1596-E1656 VanDerWaalsContact CB-OE2 3.3Å; F1596-E1656 WeakPolarHBondContact CB-OE2 3.18Å; F1596-E1656 WeakPolarHBondContact CD1-OE2 3.49Å |
| 1597 | S | 25.3 | Very low | 41.4 | Very low | 69 Ų | 69 | 110.7 Ų | 110.7 | 48% | 0.483 | 56% | 0.555 | S | S | . | * | trans | -106.9 | 89.9 | 178.3 | -176 | 0 | 0 | 0 | 0 | 111 | ||||
| 1598 | L | 25 | Very low | 38.3 | Very low | 136 Ų | 136 | 114.4 Ų | 114.4 | 71% | 0.712 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -162.7 | 38.5 | 161.8 | -120.3 | 172.6 | 0 | 0 | 0 | 116 | ||
| 1599 | F | 27.4 | Very low | 35.2 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 44% | 0.439 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -147.6 | 23.9 | 160 | -85 | -53.5 | 0 | 0 | 0 | 113.7 | G1775 Q1776 V1777 | F1599-G1775 WeakPolarHBondContact CD1-O 3.21Å; F1599-Q1776 WeakPolarHBondContact O-CG 3.1Å; F1599-Q1776 PolarHBondContact O-NE2 3.33Å; F1599-V1777 HydrophobicContact CD2-CB 4.32Å; F1599-V1777 WeakPolarHBondContact CD2-O 3.23Å; F1599-V1777 HydrophobicContact CE1-CG2 4.5Å; F1599-V1777 HydrophobicContact CE2-CB 3.86Å; F1599-V1777 WeakPolarHBondContact CE2-O 3.46Å; F1599-V1777 HydrophobicContact CZ-CB 4Å; F1599-V1777 HydrophobicContact CZ-CG2 4.31Å |
| 1600 | S | 26.1 | Very low | 32.5 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | trans | -115.6 | 85.3 | 174.5 | -66.8 | 0 | 0 | 0 | 0 | 110.3 | Q1776 | S1600-Q1776 PolarHBondContact OG-NE2 2.84Å; S1600-Q1776 VanDerWaalsContact OG-NE2 3.15Å | ||
| 1601 | S | 27.2 | Very low | 29.9 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | trans | -150 | 133.2 | 175.3 | 162.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1602 | E | 26.6 | Very low | 28.3 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | cis | -155.7 | 116.5 | -1.5 | -112.3 | 156.3 | -122 | 0 | 0 | 108.9 | ||||
| 1603 | K | 26.7 | Very low | 27.2 | Very low | 189 Ų | 189 | 128.1 Ų | 128.1 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | trans | -150.1 | 124.3 | 163 | -73.4 | -165.3 | 178.7 | 168.9 | 0 | 112.1 | ||||
| 1604 | N | 27.6 | Very low | 26.4 | Very low | 141 Ų | 141 | 131 Ų | 131 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | 64.3 | 146.5 | 165.7 | -60.5 | -28.2 | 0 | 0 | 0 | 117.6 | ||||
| 1605 | K | 27.9 | Very low | 26.2 | Very low | 187 Ų | 187 | 136.9 Ų | 136.9 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | cis | -163 | 156.8 | -36.4 | -123.3 | 167.5 | -171.6 | 173.6 | 0 | 106.2 | Y1607 | K1605-Y1607 PolarHBondContact O-N 2.92Š| ||
| 1606 | A | 24.6 | Very low | 26 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -64.3 | 132.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1607 | Y | 25.3 | Very low | 25.8 | Very low | 234 Ų | 234 | 139.5 Ų | 139.5 | 92% | 0.918 | 73% | 0.727 | S | S | * | * | trans | -95 | 112.1 | 150.4 | -110.9 | -84.2 | 0 | 0 | 0 | 107.6 | K1605 | K1605-Y1607 PolarHBondContact O-N 2.92Š| ||
| 1608 | P | 26.2 | Very low | 25.7 | Very low | 89 Ų | 89 | 142.8 Ų | 142.8 | 58% | 0.578 | 73% | 0.734 | S | S | * | * | trans | -80 | 148.6 | -177.2 | 32.2 | -34.5 | 0 | 0 | 0 | 111.8 | Q1610 | P1608-Q1610 PolarHBondContact O-N 3.29Š| ||
| 1609 | S | 23.1 | Very low | 25.7 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | trans | -70.8 | 106.9 | 171.9 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1610 | Q | 25.4 | Very low | 25.9 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -150.1 | 139.7 | 175.5 | -84.5 | -165.4 | 4.6 | 0 | 0 | 107.5 | P1608 | P1608-Q1610 PolarHBondContact O-N 3.29Š| ||
| 1611 | I | 24.8 | Very low | 26 | Very low | 101 Ų | 101 | 147.4 Ų | 147.4 | 52% | 0.518 | 76% | 0.758 | S | S | . | * | cis | -141.8 | 142.6 | 1.9 | -89.9 | 136.8 | 0 | 0 | 0 | 109.1 | Q1613 | I1611-Q1613 HydrophobicContact CG2-CB 4.28Å; I1611-Q1613 HydrophobicContact CG2-CG 4.05Å | ||
| 1612 | N | 24.7 | Very low | 26 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 171.1 | 97.8 | 142.9 | -89.4 | -10.9 | 0 | 0 | 0 | 105.4 | ||||
| 1613 | Q | 26.1 | Very low | 25.8 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | 52.3 | 61.4 | 50.2 | -56.3 | -174.4 | -2.4 | 0 | 0 | 112.1 | I1611 N1615 | I1611-Q1613 HydrophobicContact CG2-CB 4.28Å; I1611-Q1613 HydrophobicContact CG2-CG 4.05Å; Q1613-N1615 PolarHBondContact O-N 3.1Å | |||
| 1614 | Q | 23.9 | Very low | 25.9 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -70.3 | 119.1 | 144.4 | -79.3 | -179.6 | -46.2 | 0 | 0 | 107.4 | ||||
| 1615 | N | 25.9 | Very low | 25.7 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -70 | 150 | 164 | -74.2 | -38.5 | 0 | 0 | 0 | 109.3 | Q1613 | Q1613-N1615 PolarHBondContact O-N 3.1Š| ||
| 1616 | N | 24.9 | Very low | 25.5 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -31.5 | 136.7 | 158.7 | -37.5 | -29.2 | 0 | 0 | 0 | 112.2 | ||||
| 1617 | H | 26.5 | Very low | 25.5 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | -158.3 | 147.7 | 101.9 | -103.4 | -62.3 | 0 | 0 | 0 | 112.8 | |||||
| 1618 | E | 24.2 | Very low | 25.4 | Very low | 137 Ų | 137 | 135 Ų | 135 | 64% | 0.64 | 72% | 0.72 | S | S | * | * | trans | -55.6 | 131.9 | 166.8 | -52.7 | 94.7 | 155.4 | 0 | 0 | 111.1 | ||||
| 1619 | N | 24.8 | Very low | 25.4 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | 173.8 | 135.6 | 102.2 | -85.8 | -50.6 | 0 | 0 | 0 | 111.4 | |||||
| 1620 | E | 32.2 | Very low | 25.6 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | trans | -78.7 | 164.4 | 158.9 | -140.9 | -167.7 | -110.9 | 0 | 0 | 108.6 | N1622 | E1620-N1622 WeakPolarHBondContact OE2-CB 3.1Å; E1620-N1622 PolarHBondContact OE2-N 3.18Å | ||
| 1621 | P | 27.8 | Very low | 25.7 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | -142.9 | 135.8 | 89 | 35.2 | -19.2 | 0 | 0 | 0 | 115.7 | |||||
| 1622 | N | 27.5 | Very low | 25.8 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 55% | 0.551 | 72% | 0.724 | S | S | * | * | trans | -45.5 | 141.1 | 151.3 | 165.6 | 22.2 | 0 | 0 | 0 | 113.1 | E1620 N1624 | E1620-N1622 WeakPolarHBondContact OE2-CB 3.1Å; E1620-N1622 PolarHBondContact OE2-N 3.18Å; N1622-N1624 PolarHBondContact OD1-N 3.12Å | ||
| 1623 | C | 22.7 | Very low | 25.8 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | trans | -151.6 | 120.5 | 143.2 | -114.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1624 | N | 27.4 | Very low | 25.9 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 65% | 0.652 | 72% | 0.721 | S | S | * | * | trans | -60 | 148.7 | 153.7 | -58.6 | -69.8 | 0 | 0 | 0 | 108 | N1622 | N1622-N1624 PolarHBondContact OD1-N 3.12Š| ||
| 1625 | N | 23.7 | Very low | 26 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | -179.1 | 161.8 | 77 | -103.1 | -39.4 | 0 | 0 | 0 | 112 | |||||
| 1626 | N | 23.4 | Very low | 26.1 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | trans | 67 | 128.2 | 149.2 | -64.4 | -6.6 | 0 | 0 | 0 | 120.1 | ||||
| 1627 | N | 24.1 | Very low | 26.1 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | trans | 85.1 | 135.4 | 132.2 | -80.9 | 47.8 | 0 | 0 | 0 | 121.6 | ||||
| 1628 | D | 25.1 | Very low | 26.1 | Very low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | trans | 70.2 | 94 | 138.6 | -60.1 | -32.6 | 0 | 0 | 0 | 120.3 | ||||
| 1629 | N | 25.8 | Very low | 26.2 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | 75.9 | 104.4 | 121.2 | -59.2 | -44.9 | 0 | 0 | 0 | 119.9 | |||||
| 1630 | N | 26.4 | Very low | 26.4 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | 79.4 | 143.1 | 127.1 | -60.2 | -25 | 0 | 0 | 0 | 120.9 | |||||
| 1631 | N | 27.3 | Very low | 26.4 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 64.9 | 104.7 | 154.1 | -65.3 | -6.4 | 0 | 0 | 0 | 118.8 | ||||
| 1632 | S | 26.5 | Very low | 26.5 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | 44.8 | 118.3 | 114.3 | -49.4 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 1633 | N | 26.6 | Very low | 27.3 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | -164.8 | 153.2 | 99.1 | -96.7 | -16.8 | 0 | 0 | 0 | 114.4 | |||||
| 1634 | N | 27.6 | Very low | 28.5 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | trans | 73.1 | 129.8 | 145.7 | -65.8 | -1 | 0 | 0 | 0 | 123 | ||||
| 1635 | N | 26.6 | Very low | 29.9 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | 72.8 | 77.3 | 132.9 | -58.2 | -1.5 | 0 | 0 | 0 | 120.1 | ||||
| 1636 | G | 26.3 | Very low | 31.8 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | 56.5 | 104 | 108.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1637 | Q | 26.4 | Very low | 34.1 | Very low | 191 Ų | 191 | 127.8 Ų | 127.8 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | trans | -143.1 | 153.2 | 150.2 | -109.5 | 165.9 | 18.7 | 0 | 0 | 111.2 | ||||
| 1638 | Q | 26.2 | Very low | 36.3 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 89% | 0.893 | 67% | 0.667 | S | S | * | * | trans | -68.7 | 143.9 | -171.2 | -61.2 | 154.1 | -2.1 | 0 | 0 | 111.4 | ||||
| 1639 | N | 26.4 | Very low | 38.4 | Very low | 146 Ų | 146 | 121 Ų | 121 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | trans | -136 | 143.7 | 166.1 | -94.2 | -63.6 | 0 | 0 | 0 | 111.6 | ||||
| 1640 | P | 28.8 | Very low | 40.6 | Very low | 94 Ų | 94 | 115.6 Ų | 115.6 | 61% | 0.61 | 62% | 0.621 | S | S | * | * | trans | -91.2 | 152 | -159.3 | -6.2 | 27 | 0 | 0 | 0 | 113.4 | Y1642 | P1640-Y1642 PolarHBondContact O-N 3.04Å; P1640-Y1642 VanDerWaalsContact O-N 3.1Å | ||
| 1641 | I | 31.6 | Very low | 43.2 | Very low | 159 Ų | 159 | 113.1 Ų | 113.1 | 82% | 0.815 | 61% | 0.607 | S | S | * | * | trans | -66.8 | 110 | 169.2 | -60.5 | 173.7 | 0 | 0 | 0 | 108.6 | H1643 | I1641-H1643 PolarHBondContact O-N 3.3Š| ||
| 1642 | Y | 30 | Very low | 45.5 | Very low | 209 Ų | 209 | 110.5 Ų | 110.5 | 82% | 0.82 | 59% | 0.593 | S | S | * | * | trans | -64.4 | 96.1 | -179.9 | -76.1 | -85.7 | 0 | 0 | 0 | 112 | P1640 R1644 | P1640-Y1642 PolarHBondContact O-N 3.04Å; P1640-Y1642 VanDerWaalsContact O-N 3.1Å; Y1642-R1644 PolarHBondContact O-N 2.94Å | ||
| 1643 | H | 44.3 | Very low | 47.9 | Very low | 122 Ų | 122 | 106.5 Ų | 106.5 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 122.1 | 165.9 | -72.4 | -92.7 | 0 | 0 | 0 | 109.9 | I1641 P1645 | I1641-H1643 PolarHBondContact O-N 3.3Å; H1643-P1645 VanDerWaalsContact O-CD 3.32Å; H1643-P1645 WeakPolarHBondContact O-CD 3.25Å |
| 1644 | R | 47.2 | Very low | 50.7 | Low | 142 Ų | 142 | 100.5 Ų | 100.5 | 54% | 0.536 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 123.5 | 168.8 | -175.1 | -171.5 | -69.9 | 155.8 | 2.8 | 108.1 | Q770 Y1642 L1646 | Q770-R1644 VanDerWaalsContact OE1-CZ 3.23Å; Y1642-R1644 PolarHBondContact O-N 2.94Å; R1644-L1646 PolarHBondContact O-N 3.08Å |
| 1645 | P | 57 | Low | 53.4 | Low | 116 Ų | 116 | 96.8 Ų | 96.8 | 75% | 0.753 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 137.4 | 179.4 | -26.5 | 35.6 | 0 | 0 | 0 | 112.1 | H1643 | H1643-P1645 VanDerWaalsContact O-CD 3.32Å; H1643-P1645 WeakPolarHBondContact O-CD 3.25Å |
| 1646 | L | 64.3 | Low | 55.9 | Low | 45 Ų | 45 | 93 Ų | 93 | 24% | 0.236 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 142.9 | 166.1 | -73.4 | 174.6 | 0 | 0 | 0 | 109.3 | R1644 L1651 L1654 | R1644-L1646 PolarHBondContact O-N 3.08Å; L1646-L1651 HydrophobicContact CB-CD2 3.75Å; L1646-L1651 HydrophobicContact CB-CG 3.76Å; L1646-L1651 HydrophobicContact CD1-CD2 3.91Å; L1646-L1651 HydrophobicContact CG-CD2 4.46Å; L1646-L1654 HydrophobicContact CD1-CD2 3.78Å |
| 1647 | S | 70.7 | Confident | 58.6 | Low | 42 Ų | 42 | 89.9 Ų | 89.9 | 29% | 0.294 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 150.6 | 173.6 | 81.2 | 0 | 0 | 0 | 0 | 110.3 | T1649 S1650 L1651 | S1647-T1649 PolarHBondContact O-N 2.98Å; S1647-T1649 VanDerWaalsContact O-N 3.1Å; S1647-S1650 CarbonylContact O-C 3.47Å; S1647-S1650 VanDerWaalsContact O-CA 3.32Å; S1647-S1650 WeakPolarHBondContact O-CA 3.39Å; S1647-S1650 VanDerWaalsContact O-CB 3.3Å; S1647-S1650 WeakPolarHBondContact O-CB 3.46Å; S1647-S1650 PolarHBondContact O-N 3.16Å; S1647-S1650 PolarHBondContact OG-N 3.24Å; S1647-S1650 VanDerWaalsContact OG-N 3.1Å; S1647-S1650 PolarHBondContact OG-OG 2.84Å; S1647-L1651 PolarHBondContact O-N 2.97Å |
| 1648 | P | 71.1 | Confident | 61.5 | Low | 60 Ų | 60 | 82.5 Ų | 82.5 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -53.5 | -31.4 | 174.4 | -28.7 | 36.8 | 0 | 0 | 0 | 114 | F339 L1651 N1652 | F339-P1648 HydrophobicContact CE1-CG 4.19Å; F339-P1648 HydrophobicContact CE2-CG 3.97Å; F339-P1648 HydrophobicContact CZ-CG 3.78Å; P1648-L1651 PolarHBondContact O-N 2.77Å; P1648-N1652 WeakPolarHBondContact O-CB 3.47Å; P1648-N1652 PolarHBondContact O-N 2.99Å; P1648-N1652 PolarHBondContact O-OD1 2.73Å; P1648-N1652 VanDerWaalsContact O-OD1 3.13Å |
| 1649 | T | 69 | Low | 64.1 | Low | 38 Ų | 38 | 76 Ų | 76 | 23% | 0.233 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.7 | -39.2 | 172.3 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | S1647 Q1653 | S1647-T1649 PolarHBondContact O-N 2.98Å; S1647-T1649 VanDerWaalsContact O-N 3.1Å; T1649-Q1653 VanDerWaalsContact O-CG 3.3Å; T1649-Q1653 WeakPolarHBondContact O-CG 3.33Å; T1649-Q1653 PolarHBondContact O-N 2.81Å |
| 1650 | S | 73.3 | Confident | 66.8 | Low | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.7 | -33 | 172.8 | -52.1 | 0 | 0 | 0 | 0 | 113 | G1591 S1647 L1654 | G1591-S1650 WeakPolarHBondContact CA-OG 3.17Å; G1591-S1650 PolarHBondContact N-OG 3.08Å; S1647-S1650 CarbonylContact O-C 3.47Å; S1647-S1650 VanDerWaalsContact O-CA 3.32Å; S1647-S1650 WeakPolarHBondContact O-CA 3.39Å; S1647-S1650 VanDerWaalsContact O-CB 3.3Å; S1647-S1650 WeakPolarHBondContact O-CB 3.46Å; S1647-S1650 PolarHBondContact O-N 3.16Å; S1647-S1650 PolarHBondContact OG-N 3.24Å; S1647-S1650 VanDerWaalsContact OG-N 3.1Å; S1647-S1650 PolarHBondContact OG-OG 2.84Å; S1650-L1654 WeakPolarHBondContact O-CB 3.45Å; S1650-L1654 PolarHBondContact O-N 3.09Å |
| 1651 | L | 79.1 | Confident | 69.5 | Low | 83 Ų | 83 | 65.3 Ų | 65.3 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 174.9 | -72.6 | 169.7 | 0 | 0 | 0 | 111.4 | L1646 S1647 P1648 L1654 A1655 | L1646-L1651 HydrophobicContact CB-CD2 3.75Å; L1646-L1651 HydrophobicContact CB-CG 3.76Å; L1646-L1651 HydrophobicContact CD1-CD2 3.91Å; L1646-L1651 HydrophobicContact CG-CD2 4.46Å; S1647-L1651 PolarHBondContact O-N 2.97Å; P1648-L1651 PolarHBondContact O-N 2.77Å; L1651-L1654 PolarHBondContact O-N 3.43Å; L1651-A1655 WeakPolarHBondContact O-CB 3.03Å; L1651-A1655 PolarHBondContact O-N 3.27Å |
| 1652 | N | 76.4 | Confident | 72.1 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 172.6 | -69.5 | 9.8 | 0 | 0 | 0 | 110.8 | P1648 L1654 A1655 E1656 | P1648-N1652 WeakPolarHBondContact O-CB 3.47Å; P1648-N1652 PolarHBondContact O-N 2.99Å; P1648-N1652 PolarHBondContact O-OD1 2.73Å; P1648-N1652 VanDerWaalsContact O-OD1 3.13Å; N1652-L1654 VanDerWaalsContact C-N 3.29Å; N1652-L1654 PolarHBondContact O-N 3.19Å; N1652-A1655 PolarHBondContact O-N 3.29Å; N1652-E1656 WeakPolarHBondContact O-CB 3.47Å; N1652-E1656 VanDerWaalsContact O-CG 3.24Å; N1652-E1656 WeakPolarHBondContact O-CG 3.16Å; N1652-E1656 PolarHBondContact O-N 2.88Å |
| 1653 | Q | 77.4 | Confident | 74.7 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58 | -39.3 | 173.4 | -74 | -178.6 | -62.4 | 0 | 0 | 112.6 | L1590 T1649 E1656 V1657 | L1590-Q1653 HydrophobicContact CD2-CB 3.95Å; T1649-Q1653 VanDerWaalsContact O-CG 3.3Å; T1649-Q1653 WeakPolarHBondContact O-CG 3.33Å; T1649-Q1653 PolarHBondContact O-N 2.81Å; Q1653-E1656 WeakPolarHBondContact CA-OE2 3.46Å; Q1653-V1657 VanDerWaalsContact O-CG2 3.3Å; Q1653-V1657 WeakPolarHBondContact O-CG2 3.37Å; Q1653-V1657 PolarHBondContact O-N 3.37Å |
| 1654 | L | 85.1 | Confident | 76.8 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 175.6 | -179.7 | 60.6 | 0 | 0 | 0 | 111.4 | L1545 L1590 L1646 S1650 L1651 N1652 E1656 V1657 E1658 V1687 | L1545-L1654 HydrophobicContact CD1-CD1 3.85Å; L1590-L1654 HydrophobicContact CD1-CB 4.32Å; L1590-L1654 HydrophobicContact CD1-CD1 4.2Å; L1590-L1654 HydrophobicContact CD2-CB 4.39Å; L1646-L1654 HydrophobicContact CD1-CD2 3.78Å; S1650-L1654 WeakPolarHBondContact O-CB 3.45Å; S1650-L1654 PolarHBondContact O-N 3.09Å; L1651-L1654 PolarHBondContact O-N 3.43Å; N1652-L1654 VanDerWaalsContact C-N 3.29Å; N1652-L1654 PolarHBondContact O-N 3.19Å; L1654-E1656 VanDerWaalsContact C-N 3.33Å; L1654-E1656 PolarHBondContact O-N 2.82Å; L1654-V1657 PolarHBondContact O-N 3.49Å; L1654-E1658 HydrophobicContact CD1-CG 4.33Å; L1654-E1658 HydrophobicContact CG-CG 4.46Å; L1654-E1658 WeakPolarHBondContact O-CB 3.15Å; L1654-E1658 VanDerWaalsContact O-CG 3.31Å; L1654-E1658 WeakPolarHBondContact O-CG 3.07Å; L1654-E1658 PolarHBondContact O-N 3.12Å; L1654-V1687 HydrophobicContact CD1-CG2 3.83Å |
| 1655 | A | 83.4 | Confident | 78.6 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 41% | 0.405 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.1 | -31.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1651 N1652 T1659 | L1651-A1655 WeakPolarHBondContact O-CB 3.03Å; L1651-A1655 PolarHBondContact O-N 3.27Å; N1652-A1655 PolarHBondContact O-N 3.29Å; A1655-T1659 WeakPolarHBondContact O-CB 3.16Å; A1655-T1659 PolarHBondContact O-N 3.41Å; A1655-T1659 VanDerWaalsContact O-N 3.09Å; A1655-T1659 PolarHBondContact O-OG1 2.91Å |
| 1656 | E | 79.1 | Confident | 79.9 | Confident | 67 Ų | 67 | 43.6 Ų | 43.6 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.6 | -48.2 | 170.5 | -72.2 | 158.9 | 179.9 | 0 | 0 | 110.4 | F1596 N1652 Q1653 L1654 T1659 E1660 | F1596-E1656 VanDerWaalsContact CB-OE2 3.3Å; F1596-E1656 WeakPolarHBondContact CB-OE2 3.18Å; F1596-E1656 WeakPolarHBondContact CD1-OE2 3.49Å; N1652-E1656 WeakPolarHBondContact O-CB 3.47Å; N1652-E1656 VanDerWaalsContact O-CG 3.24Å; N1652-E1656 WeakPolarHBondContact O-CG 3.16Å; N1652-E1656 PolarHBondContact O-N 2.88Å; Q1653-E1656 WeakPolarHBondContact CA-OE2 3.46Å; L1654-E1656 VanDerWaalsContact C-N 3.33Å; L1654-E1656 PolarHBondContact O-N 2.82Å; E1656-T1659 CarbonylContact O-C 3.55Å; E1656-T1659 WeakPolarHBondContact O-CA 3.27Å; E1656-T1659 WeakPolarHBondContact O-CB 3.49Å; E1656-T1659 PolarHBondContact O-N 3.23Å; E1656-T1659 VanDerWaalsContact O-N 3.1Å; E1656-E1660 PolarHBondContact O-N 2.72Å |
| 1657 | V | 84.8 | Confident | 81.1 | Confident | 11 Ų | 11 | 41.9 Ų | 41.9 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.2 | -38.8 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | L1545 I1588 Q1653 L1654 T1659 E1660 V1661 V1687 L1689 | L1545-V1657 HydrophobicContact CD1-CG1 4.28Å; I1588-V1657 HydrophobicContact CD1-CG1 4.03Å; I1588-V1657 HydrophobicContact CD1-CG2 3.74Å; I1588-V1657 HydrophobicContact CG2-CG2 4.16Å; Q1653-V1657 VanDerWaalsContact O-CG2 3.3Å; Q1653-V1657 WeakPolarHBondContact O-CG2 3.37Å; Q1653-V1657 PolarHBondContact O-N 3.37Å; L1654-V1657 PolarHBondContact O-N 3.49Å; V1657-T1659 PolarHBondContact O-N 2.96Å; V1657-E1660 PolarHBondContact O-N 2.65Å; V1657-E1660 VanDerWaalsContact O-N 3.16Å; V1657-V1661 HydrophobicContact CG1-CG2 4.4Å; V1657-V1661 WeakPolarHBondContact O-CB 3.15Å; V1657-V1661 WeakPolarHBondContact O-CG2 3.37Å; V1657-V1661 PolarHBondContact O-N 3.41Å; V1657-V1687 HydrophobicContact CG1-CB 4.17Å; V1657-V1687 HydrophobicContact CG1-CG1 3.87Å; V1657-V1687 HydrophobicContact CG1-CG2 4.25Å; V1657-L1689 HydrophobicContact CG1-CD2 4.28Å |
| 1658 | E | 86.3 | Confident | 82 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -30.1 | 171.2 | -77 | 177.4 | 157.5 | 0 | 0 | 111.6 | K1544 L1545 L1654 R1662 | K1544-E1658 VanDerWaalsContact CA-OE1 3.27Å; K1544-E1658 WeakPolarHBondContact CA-OE1 3.39Å; L1545-E1658 HydrophobicContact CB-CG 4.46Å; L1545-E1658 HydrophobicContact CD1-CG 3.78Å; L1545-E1658 HydrophobicContact CG-CG 3.84Å; L1545-E1658 PolarHBondContact N-OE1 3.1Å; L1654-E1658 HydrophobicContact CD1-CG 4.33Å; L1654-E1658 HydrophobicContact CG-CG 4.46Å; L1654-E1658 WeakPolarHBondContact O-CB 3.15Å; L1654-E1658 VanDerWaalsContact O-CG 3.31Å; L1654-E1658 WeakPolarHBondContact O-CG 3.07Å; L1654-E1658 PolarHBondContact O-N 3.12Å; E1658-R1662 WeakPolarHBondContact O-CB 3.48Å; E1658-R1662 PolarHBondContact O-N 2.85Å |
| 1659 | T | 81.1 | Confident | 83 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -77.9 | -38.3 | 173.1 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | A1655 E1656 V1657 R1662 I1663 | A1655-T1659 WeakPolarHBondContact O-CB 3.16Å; A1655-T1659 PolarHBondContact O-N 3.41Å; A1655-T1659 VanDerWaalsContact O-N 3.09Å; A1655-T1659 PolarHBondContact O-OG1 2.91Å; E1656-T1659 CarbonylContact O-C 3.55Å; E1656-T1659 WeakPolarHBondContact O-CA 3.27Å; E1656-T1659 WeakPolarHBondContact O-CB 3.49Å; E1656-T1659 PolarHBondContact O-N 3.23Å; E1656-T1659 VanDerWaalsContact O-N 3.1Å; V1657-T1659 PolarHBondContact O-N 2.96Å; T1659-R1662 PolarHBondContact O-N 3.28Å; T1659-R1662 PolarHBondContact OG1-NH2 3.02Å; T1659-I1663 HydrophobicContact CG2-CD1 4.18Å; T1659-I1663 WeakPolarHBondContact O-CG1 3.37Å; T1659-I1663 PolarHBondContact O-N 3.39Å |
| 1660 | E | 82.6 | Confident | 84.2 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -50.4 | 169.7 | -173.3 | 179.9 | 173.2 | 0 | 0 | 110.2 | K1586 E1656 V1657 R1662 I1663 M1664 F1757 G1758 | K1586-E1660 IonicContact NZ-OE1 2.77Å; K1586-E1660 PolarHBondContact NZ-OE1 3.18Å; K1586-E1660 IonicContact NZ-OE2 3.96Å; K1586-E1660 PolarHBondContact NZ-OE2 3.08Å; E1656-E1660 PolarHBondContact O-N 2.72Å; V1657-E1660 PolarHBondContact O-N 2.65Å; V1657-E1660 VanDerWaalsContact O-N 3.16Å; E1660-R1662 PolarHBondContact O-N 3.37Å; E1660-I1663 WeakPolarHBondContact O-CB 3.26Å; E1660-I1663 PolarHBondContact O-N 3.2Å; E1660-I1663 VanDerWaalsContact O-N 3.13Å; E1660-M1664 HydrophobicContact CG-SD 4.15Å; E1660-M1664 WeakPolarHBondContact O-CG 3.16Å; E1660-M1664 PolarHBondContact O-N 2.95Å; E1660-F1757 HydrophobicContact CG-CB 4.05Å; E1660-G1758 PolarHBondContact OE1-N 2.95Å |
| 1661 | V | 86.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -49.3 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | M1536 F1539 L1545 V1657 I1663 M1664 L1665 L1675 A1678 L1689 | M1536-V1661 HydrophobicContact CE-CG1 4.38Å; F1539-V1661 HydrophobicContact CD1-CG1 4.48Å; F1539-V1661 HydrophobicContact CE1-CG1 3.89Å; F1539-V1661 HydrophobicContact CE2-CG1 3.98Å; F1539-V1661 HydrophobicContact CZ-CB 4.29Å; F1539-V1661 HydrophobicContact CZ-CG1 3.61Å; L1545-V1661 HydrophobicContact CD2-CG1 4.36Å; L1545-V1661 HydrophobicContact CD2-CG2 4.4Å; V1657-V1661 HydrophobicContact CG1-CG2 4.4Å; V1657-V1661 WeakPolarHBondContact O-CB 3.15Å; V1657-V1661 WeakPolarHBondContact O-CG2 3.37Å; V1657-V1661 PolarHBondContact O-N 3.41Å; V1661-I1663 PolarHBondContact O-N 3.1Å; V1661-M1664 PolarHBondContact O-N 2.83Å; V1661-L1665 HydrophobicContact CG1-CD1 3.66Å; V1661-L1665 HydrophobicContact CG1-CG 4.12Å; V1661-L1665 WeakPolarHBondContact O-CB 3.23Å; V1661-L1665 VanDerWaalsContact O-CG 3.29Å; V1661-L1665 WeakPolarHBondContact O-CG 3.05Å; V1661-L1665 PolarHBondContact O-N 3.45Å; V1661-L1675 HydrophobicContact CB-CD2 4.37Å; V1661-L1675 HydrophobicContact CG1-CD2 4.12Å; V1661-L1675 HydrophobicContact CG2-CD2 4.27Å; V1661-A1678 HydrophobicContact CG1-CB 4.17Å; V1661-A1678 HydrophobicContact CG2-CB 3.76Å; V1661-L1689 HydrophobicContact CG2-CD2 3.44Å; V1661-L1689 VanDerWaalsContact CG2-CD2 3.44Å |
| 1662 | R | 85.6 | Confident | 86 | Confident | 105 Ų | 105 | 41.5 Ų | 41.5 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64 | -25 | 177.8 | -179.9 | 175.4 | 57.4 | 114.5 | -1.5 | 113.3 | F1539 E1658 T1659 E1660 Q1666 R1762 | F1539-R1662 HydrophobicContact CZ-CB 4.34Å; E1658-R1662 WeakPolarHBondContact O-CB 3.48Å; E1658-R1662 PolarHBondContact O-N 2.85Å; T1659-R1662 PolarHBondContact O-N 3.28Å; T1659-R1662 PolarHBondContact OG1-NH2 3.02Å; E1660-R1662 PolarHBondContact O-N 3.37Å; R1662-Q1666 WeakPolarHBondContact O-CG 3.39Å; R1662-R1762 PolarHBondContact O-NH2 3.3Å |
| 1663 | I | 83.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.8 | -58 | 168.7 | -72.8 | 165.7 | 0 | 0 | 0 | 109.4 | T1659 E1660 V1661 L1665 Q1666 L1667 I1733 F1757 R1762 | T1659-I1663 HydrophobicContact CG2-CD1 4.18Å; T1659-I1663 WeakPolarHBondContact O-CG1 3.37Å; T1659-I1663 PolarHBondContact O-N 3.39Å; E1660-I1663 WeakPolarHBondContact O-CB 3.26Å; E1660-I1663 PolarHBondContact O-N 3.2Å; E1660-I1663 VanDerWaalsContact O-N 3.13Å; V1661-I1663 PolarHBondContact O-N 3.1Å; I1663-L1665 PolarHBondContact O-N 3.41Å; I1663-Q1666 PolarHBondContact O-N 3.02Å; I1663-L1667 HydrophobicContact CG2-CD1 4.09Å; I1663-I1733 HydrophobicContact CG2-CD1 3.92Å; I1663-I1733 HydrophobicContact CG2-CG1 4.48Å; I1663-F1757 HydrophobicContact CG2-CD1 4.36Å; I1663-R1762 HydrophobicContact CD1-CG 4.33Å; I1663-R1762 HydrophobicContact CG1-CG 4.37Å |
| 1664 | M | 88.8 | Confident | 87.4 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -36.8 | -173.3 | -67.8 | -175.7 | 78 | 0 | 0 | 114 | E1660 V1661 Q1666 L1667 L1675 F1757 | E1660-M1664 HydrophobicContact CG-SD 4.15Å; E1660-M1664 WeakPolarHBondContact O-CG 3.16Å; E1660-M1664 PolarHBondContact O-N 2.95Å; V1661-M1664 PolarHBondContact O-N 2.83Å; M1664-Q1666 PolarHBondContact O-N 2.66Å; M1664-Q1666 VanDerWaalsContact O-N 3.15Å; M1664-L1667 PolarHBondContact O-N 2.95Å; M1664-L1667 VanDerWaalsContact O-N 3.09Å; M1664-L1675 HydrophobicContact CB-CB 3.81Å; M1664-L1675 HydrophobicContact CB-CD2 3.74Å; M1664-L1675 HydrophobicContact CB-CG 4.4Å; M1664-L1675 HydrophobicContact CE-CB 4.13Å; M1664-F1757 HydrophobicContact CE-CD2 3.89Å; M1664-F1757 HydrophobicContact CE-CE2 4.43Å; M1664-F1757 HydrophobicContact CG-CB 3.94Å; M1664-F1757 HydrophobicContact CG-CD2 3.8Å; M1664-F1757 HydrophobicContact CG-CG 3.96Å; M1664-F1757 HydrophobicContact SD-CB 4.24Å; M1664-F1757 HydrophobicContact SD-CD2 4.02Å; M1664-F1757 HydrophobicContact SD-CG 4.48Å |
| 1665 | L | 85.6 | Confident | 87.7 | Confident | 66 Ų | 66 | 41.3 Ų | 41.3 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.4 | 175.6 | -68 | 173.3 | 0 | 0 | 0 | 114.2 | M1536 F1539 V1661 I1663 L1675 | M1536-L1665 HydrophobicContact CE-CD1 3.47Å; M1536-L1665 VanDerWaalsContact CE-CD1 3.47Å; M1536-L1665 HydrophobicContact CE-CD2 4.14Å; M1536-L1665 HydrophobicContact CE-CG 4.39Å; F1539-L1665 HydrophobicContact CD1-CD1 3.57Å; F1539-L1665 HydrophobicContact CE1-CD1 3.53Å; V1661-L1665 HydrophobicContact CG1-CD1 3.66Å; V1661-L1665 HydrophobicContact CG1-CG 4.12Å; V1661-L1665 WeakPolarHBondContact O-CB 3.23Å; V1661-L1665 VanDerWaalsContact O-CG 3.29Å; V1661-L1665 WeakPolarHBondContact O-CG 3.05Å; V1661-L1665 PolarHBondContact O-N 3.45Å; I1663-L1665 PolarHBondContact O-N 3.41Å; L1665-L1675 HydrophobicContact CD2-CD2 3.96Å; L1665-L1675 HydrophobicContact CD2-CG 4.27Å; L1665-L1675 HydrophobicContact CG-CD2 4Å |
| 1666 | Q | 84.6 | Confident | 88 | Confident | 112 Ų | 112 | 40.4 Ų | 40.4 | 52% | 0.523 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 5.5 | 177 | -63.8 | -175.9 | -21.8 | 0 | 0 | 112.5 | R1662 I1663 M1664 R1762 | R1662-Q1666 WeakPolarHBondContact O-CG 3.39Å; I1663-Q1666 PolarHBondContact O-N 3.02Å; M1664-Q1666 PolarHBondContact O-N 2.66Å; M1664-Q1666 VanDerWaalsContact O-N 3.15Å; Q1666-R1762 VanDerWaalsContact OE1-CZ 3.27Å |
| 1667 | L | 89.4 | Confident | 88.4 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | trans | -111.9 | 120.1 | -178.8 | -55.5 | 175.7 | 0 | 0 | 0 | 110.7 | I1663 M1664 I1672 Y1727 L1728 I1733 F1757 | I1663-L1667 HydrophobicContact CG2-CD1 4.09Å; M1664-L1667 PolarHBondContact O-N 2.95Å; M1664-L1667 VanDerWaalsContact O-N 3.09Å; L1667-I1672 HydrophobicContact CB-CG2 3.97Å; L1667-I1672 HydrophobicContact CD1-CG2 4.07Å; L1667-Y1727 HydrophobicContact CB-CE1 4.24Å; L1667-Y1727 HydrophobicContact CD2-CD1 4.43Å; L1667-Y1727 HydrophobicContact CD2-CE1 3.72Å; L1667-L1728 HydrophobicContact CD1-CD2 3.78Å; L1667-L1728 HydrophobicContact CD2-CD2 3.92Å; L1667-L1728 HydrophobicContact CG-CD2 4.5Å; L1667-I1733 HydrophobicContact CD2-CD1 3.77Å; L1667-F1757 HydrophobicContact CD1-CD1 4.15Å; L1667-F1757 HydrophobicContact CD1-CE1 3.7Å; L1667-F1757 HydrophobicContact CD1-CE2 4.46Å; L1667-F1757 HydrophobicContact CD1-CZ 3.89Å | ||
| 1668 | D | 88.4 | Confident | 88.7 | Confident | 97 Ų | 97 | 36.7 Ų | 36.7 | 52% | 0.519 | 18% | 0.179 | S | C | . | . | trans | -138.6 | 103.3 | 170.3 | -161.5 | 7.8 | 0 | 0 | 0 | 109.3 | R1674 Y1727 | D1668-R1674 IonicContact OD1-CZ 3.37Å; D1668-R1674 IonicContact OD1-NH1 4Å; D1668-R1674 PolarHBondContact OD1-NH1 2.9Å; D1668-R1674 IonicContact OD2-CZ 3.62Å; D1668-R1674 IonicContact OD2-NH1 2.7Å; D1668-R1674 PolarHBondContact OD2-NH1 2.61Å; D1668-Y1727 PolarHBondContact N-OH 2.61Å; D1668-Y1727 PolarHBondContact O-OH 3.27Å; D1668-Y1727 VanDerWaalsContact O-OH 3.1Å | ||
| 1669 | H | 93.2 | Very high | 88.8 | Confident | 38 Ų | 38 | 35.4 Ų | 35.4 | 18% | 0.176 | 17% | 0.174 | C | C | . | . | trans | -157.7 | 138.5 | -175.6 | -179.1 | -98.1 | 0 | 0 | 0 | 109.9 | N1671 I1672 Y1727 | H1669-N1671 PolarHBondContact ND1-N 3.48Å; H1669-N1671 VanDerWaalsContact ND1-N 3.19Å; H1669-N1671 PolarHBondContact O-N 2.78Å; H1669-I1672 HydrophobicContact CB-CB 4.14Å; H1669-I1672 HydrophobicContact CB-CG1 3.81Å; H1669-I1672 PolarHBondContact O-N 2.83Å; H1669-Y1727 HydrophobicContact CB-CD1 3.74Å; H1669-Y1727 HydrophobicContact CB-CD2 3.82Å; H1669-Y1727 HydrophobicContact CB-CE1 3.77Å; H1669-Y1727 HydrophobicContact CB-CE2 3.84Å; H1669-Y1727 HydrophobicContact CB-CG 3.77Å; H1669-Y1727 AromaticContact CD2-CD2 3.5Å; H1669-Y1727 AromaticContact CD2-CG 3.73Å; H1669-Y1727 AromaticContact CG-CD2 3.8Å; H1669-Y1727 AromaticContact CG-CG 3.68Å | ||
| 1670 | P | 92.8 | Very high | 89.2 | Confident | 77 Ų | 77 | 33.3 Ų | 33.3 | 50% | 0.5 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.2 | -174.6 | 23 | -35.9 | 0 | 0 | 0 | 115.2 | K1753 | P1670-K1753 WeakPolarHBondContact O-CE 2.73Š|
| 1671 | N | 96 | Very high | 89.3 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 19.7 | 174.9 | -55.8 | 120.1 | 0 | 0 | 0 | 114.3 | H1669 Q1720 I1752 K1753 I1754 | H1669-N1671 PolarHBondContact ND1-N 3.48Å; H1669-N1671 VanDerWaalsContact ND1-N 3.19Å; H1669-N1671 PolarHBondContact O-N 2.78Å; N1671-Q1720 WeakPolarHBondContact CB-O 3.3Å; N1671-Q1720 PolarHBondContact ND2-OE1 3.3Å; N1671-I1752 WeakPolarHBondContact CA-O 3.27Å; N1671-I1752 PolarHBondContact ND2-O 3.39Å; N1671-K1753 WeakPolarHBondContact O-CA 2.89Å; N1671-I1754 PolarHBondContact O-N 3.36Å |
| 1672 | I | 94.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -122 | 140.2 | 172.2 | -59.6 | -60.5 | 0 | 0 | 0 | 109 | L1667 H1669 R1674 Y1727 L1728 I1754 F1757 | L1667-I1672 HydrophobicContact CB-CG2 3.97Å; L1667-I1672 HydrophobicContact CD1-CG2 4.07Å; H1669-I1672 HydrophobicContact CB-CB 4.14Å; H1669-I1672 HydrophobicContact CB-CG1 3.81Å; H1669-I1672 PolarHBondContact O-N 2.83Å; I1672-R1674 PolarHBondContact O-N 3.38Å; I1672-Y1727 HydrophobicContact CG1-CD1 3.99Å; I1672-Y1727 HydrophobicContact CG1-CE1 4.45Å; I1672-L1728 HydrophobicContact CD1-CD1 3.96Å; I1672-L1728 HydrophobicContact CD1-CD2 3.83Å; I1672-L1728 HydrophobicContact CD1-CG 3.74Å; I1672-L1728 HydrophobicContact CG1-CD2 4.39Å; I1672-I1754 HydrophobicContact CD1-CB 3.93Å; I1672-I1754 HydrophobicContact CD1-CD1 3.98Å; I1672-I1754 HydrophobicContact CD1-CG1 4.26Å; I1672-F1757 HydrophobicContact CD1-CZ 4.45Å; I1672-F1757 HydrophobicContact CG2-CE2 4.1Å; I1672-F1757 HydrophobicContact CG2-CZ 3.76Å |
| 1673 | L | 93 | Very high | 88.2 | Confident | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 125.3 | -179.6 | -170.6 | 67.3 | 0 | 0 | 0 | 111.2 | I1691 E1692 M1694 L1744 K1753 I1754 | L1673-I1691 HydrophobicContact CD1-CG2 4.17Å; L1673-I1691 HydrophobicContact CD2-CG2 3.44Å; L1673-I1691 VanDerWaalsContact CD2-CG2 3.44Å; L1673-I1691 HydrophobicContact CG-CG2 3.56Å; L1673-E1692 HydrophobicContact CD1-CB 4.01Å; L1673-M1694 HydrophobicContact CD1-CG 3.41Å; L1673-M1694 VanDerWaalsContact CD1-CG 3.41Å; L1673-M1694 HydrophobicContact CD1-SD 3.96Å; L1673-L1744 HydrophobicContact CD1-CD1 4.41Å; L1673-L1744 HydrophobicContact CD2-CD1 3.77Å; L1673-K1753 HydrophobicContact CB-CB 4.34Å; L1673-K1753 HydrophobicContact CD1-CD 4.46Å; L1673-I1754 VanDerWaalsContact CB-O 3.28Å; L1673-I1754 WeakPolarHBondContact CB-O 3.21Å; L1673-I1754 PolarHBondContact N-O 3.1Å |
| 1674 | R | 90.7 | Very high | 87.8 | Confident | 91 Ų | 91 | 44.2 Ų | 44.2 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -84.9 | 128.6 | -173 | -172.9 | 173.9 | 177.7 | 121.5 | -1.5 | 112.3 | D1668 I1672 F1676 E1692 | D1668-R1674 IonicContact OD1-CZ 3.37Å; D1668-R1674 IonicContact OD1-NH1 4Å; D1668-R1674 PolarHBondContact OD1-NH1 2.9Å; D1668-R1674 IonicContact OD2-CZ 3.62Å; D1668-R1674 IonicContact OD2-NH1 2.7Å; D1668-R1674 PolarHBondContact OD2-NH1 2.61Å; I1672-R1674 PolarHBondContact O-N 3.38Å; R1674-F1676 HydrophobicContact CG-CE1 4.48Å; R1674-E1692 HydrophobicContact CB-CB 4.32Å; R1674-E1692 PolarHBondContact O-N 2.9Å |
| 1675 | L | 91 | Very high | 87.3 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.3 | 166.3 | -175.5 | 69.7 | 0 | 0 | 0 | 109 | V1661 M1664 L1665 G1677 L1689 F1690 I1691 | V1661-L1675 HydrophobicContact CB-CD2 4.37Å; V1661-L1675 HydrophobicContact CG1-CD2 4.12Å; V1661-L1675 HydrophobicContact CG2-CD2 4.27Å; M1664-L1675 HydrophobicContact CB-CB 3.81Å; M1664-L1675 HydrophobicContact CB-CD2 3.74Å; M1664-L1675 HydrophobicContact CB-CG 4.4Å; M1664-L1675 HydrophobicContact CE-CB 4.13Å; L1665-L1675 HydrophobicContact CD2-CD2 3.96Å; L1665-L1675 HydrophobicContact CD2-CG 4.27Å; L1665-L1675 HydrophobicContact CG-CD2 4Å; L1675-G1677 WeakPolarHBondContact CD1-O 3.19Å; L1675-L1689 HydrophobicContact CD1-CB 3.97Å; L1675-F1690 WeakPolarHBondContact CD1-O 3.29Å; L1675-I1691 HydrophobicContact CD1-CD1 4.36Å; L1675-I1691 HydrophobicContact CD1-CG1 3.58Å |
| 1676 | F | 88.8 | Confident | 87.4 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 13% | 0.132 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -30.6 | 172.6 | -57.8 | -64.9 | 0 | 0 | 0 | 112.3 | L1526 I1529 L1532 L1583 R1674 F1690 E1692 | L1526-F1676 HydrophobicContact CD1-CE1 4.46Å; L1526-F1676 HydrophobicContact CD1-CZ 4.01Å; I1529-F1676 HydrophobicContact CD1-CB 3.99Å; I1529-F1676 HydrophobicContact CD1-CD2 4.12Å; I1529-F1676 HydrophobicContact CD1-CG 4.06Å; L1532-F1676 HydrophobicContact CD2-CB 3.73Å; L1583-F1676 HydrophobicContact CD2-CD2 3.67Å; L1583-F1676 HydrophobicContact CD2-CE2 3.39Å; L1583-F1676 HydrophobicContact CD2-CZ 4.33Å; R1674-F1676 HydrophobicContact CG-CE1 4.48Å; F1676-F1690 WeakPolarHBondContact CB-O 3.02Å; F1676-F1690 PolarHBondContact N-O 3.37Å; F1676-E1692 HydrophobicContact CE2-CB 4.18Å; F1676-E1692 HydrophobicContact CZ-CB 4.16Å |
| 1677 | G | 89 | Confident | 87.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.8 | -178.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L1675 F1690 | L1675-G1677 WeakPolarHBondContact CD1-O 3.19Å; G1677-F1690 PolarHBondContact N-O 3.25Å; G1677-F1690 PolarHBondContact O-N 3.26Å |
| 1678 | A | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 141.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1536 L1545 V1661 D1688 L1689 | M1536-A1678 HydrophobicContact SD-CB 4.48Å; M1536-A1678 PolarHBondContact SD-N 3.28Å; L1545-A1678 HydrophobicContact CD2-CB 3.41Å; L1545-A1678 VanDerWaalsContact CD2-CB 3.41Å; V1661-A1678 HydrophobicContact CG1-CB 4.17Å; V1661-A1678 HydrophobicContact CG2-CB 3.76Å; A1678-D1688 CarbonylContact C-O 3.55Å; A1678-D1688 WeakPolarHBondContact CA-O 3.29Å; A1678-L1689 HydrophobicContact CB-CD2 3.47Å; A1678-L1689 VanDerWaalsContact CB-CD2 3.47Å |
| 1679 | V | 89.2 | Confident | 87.9 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.8 | -178.6 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | L1532 V1535 V1687 D1688 F1690 | L1532-V1679 HydrophobicContact CD1-CG2 4.17Å; V1535-V1679 HydrophobicContact CG1-CG2 4.03Å; V1679-V1687 WeakPolarHBondContact O-CA 3.26Å; V1679-D1688 PolarHBondContact N-O 2.91Å; V1679-D1688 PolarHBondContact O-N 3.17Å; V1679-F1690 HydrophobicContact CB-CE2 4.2Å; V1679-F1690 HydrophobicContact CG2-CE2 3.88Å |
| 1680 | H | 88.9 | Confident | 87.9 | Confident | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 104.4 | 178.4 | 170.6 | -141.5 | 0 | 0 | 0 | 110.6 | L1545 P1546 N1547 S1548 L1590 V1682 V1687 | L1545-H1680 HydrophobicContact CB-CB 3.58Å; L1545-H1680 HydrophobicContact CD1-CB 4.43Å; P1546-H1680 PolarHBondContact O-N 3.05Å; N1547-H1680 CarbonylContact C-O 3.56Å; N1547-H1680 WeakPolarHBondContact CA-O 3.22Å; S1548-H1680 PolarHBondContact N-O 3.17Å; L1590-H1680 WeakPolarHBondContact CD1-NE2 3.15Å; H1680-V1682 VanDerWaalsContact C-N 3.27Å; H1680-V1682 PolarHBondContact O-N 2.9Å; H1680-V1687 HydrophobicContact CB-CG2 4.32Å |
| 1681 | C | 85.2 | Confident | 87.9 | Confident | 19 Ų | 19 | 28 Ų | 28 | 13% | 0.128 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 71.6 | 179.8 | -159.8 | 0 | 0 | 0 | 0 | 111.8 | K1683 R1684 G1685 F1686 | C1681-K1683 PolarHBondContact O-N 3.12Å; C1681-K1683 VanDerWaalsContact O-N 3.15Å; C1681-R1684 HydrophobicContact CB-CB 4.41Å; C1681-R1684 CarbonylContact O-C 3.58Å; C1681-R1684 PolarHBondContact O-N 3.49Å; C1681-G1685 PolarHBondContact O-N 3.24Å; C1681-F1686 WeakPolarHBondContact CA-O 3.49Å; C1681-F1686 HydrophobicContact CB-CD2 3.55Å; C1681-F1686 HydrophobicContact CB-CE2 3.31Å; C1681-F1686 HydrophobicContact CB-CG 4.23Å; C1681-F1686 HydrophobicContact CB-CZ 3.87Å; C1681-F1686 WeakPolarHBondContact CB-O 3.34Å; C1681-F1686 PolarHBondContact N-O 3.45Å |
| 1682 | V | 77.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 28.9 Ų | 28.9 | 21% | 0.206 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -44.8 | -48.3 | -179.8 | -171 | 0 | 0 | 0 | 0 | 112.1 | N1547 H1680 R1684 G1685 | N1547-V1682 HydrophobicContact CB-CG2 3.83Å; N1547-V1682 WeakPolarHBondContact OD1-CG2 3.18Å; H1680-V1682 VanDerWaalsContact C-N 3.27Å; H1680-V1682 PolarHBondContact O-N 2.9Å; V1682-R1684 PolarHBondContact O-N 2.99Å; V1682-G1685 PolarHBondContact O-N 3.1Å |
| 1683 | K | 72.1 | Confident | 87.4 | Confident | 144 Ų | 144 | 32.4 Ų | 32.4 | 63% | 0.626 | 15% | 0.146 | S | C | * | . | G | 310 helix | trans | -63 | -22.9 | -177.6 | -68 | 169.8 | -176.7 | 160.6 | 0 | 113.7 | S1548 D1549 C1681 | S1548-K1683 WeakPolarHBondContact OG-CD 3.49Å; D1549-K1683 WeakPolarHBondContact OD1-CE 3.3Å; D1549-K1683 IonicContact OD1-NZ 2.77Å; D1549-K1683 PolarHBondContact OD1-NZ 2.8Å; D1549-K1683 IonicContact OD2-NZ 3.29Å; D1549-K1683 PolarHBondContact OD2-NZ 3.2Å; C1681-K1683 PolarHBondContact O-N 3.12Å; C1681-K1683 VanDerWaalsContact O-N 3.15Å |
| 1684 | R | 74.6 | Confident | 87.4 | Confident | 156 Ų | 156 | 32.8 Ų | 32.8 | 59% | 0.589 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -116.7 | -5 | -178.5 | -59.8 | -178.8 | 178 | 175 | -0.5 | 114.4 | E1553 C1681 V1682 F1686 | E1553-R1684 IonicContact OE2-NH1 3.37Å; E1553-R1684 PolarHBondContact OE2-NH1 3.09Å; C1681-R1684 HydrophobicContact CB-CB 4.41Å; C1681-R1684 CarbonylContact O-C 3.58Å; C1681-R1684 PolarHBondContact O-N 3.49Å; V1682-R1684 PolarHBondContact O-N 2.99Å; R1684-F1686 HydrophobicContact CB-CD1 3.7Å; R1684-F1686 HydrophobicContact CB-CE1 3.31Å; R1684-F1686 HydrophobicContact CB-CZ 3.92Å; R1684-F1686 HydrophobicContact CG-CE1 4.08Å; R1684-F1686 HydrophobicContact CG-CZ 4.39Å |
| 1685 | G | 79 | Confident | 87.3 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 23% | 0.227 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1590 C1681 V1682 | L1590-G1685 PolarHBondContact N-O 2.91Å; C1681-G1685 PolarHBondContact O-N 3.24Å; V1682-G1685 PolarHBondContact O-N 3.1Å |
| 1686 | F | 86.6 | Confident | 87.2 | Confident | 20 Ų | 20 | 31.7 Ų | 31.7 | 9% | 0.088 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 162.8 | 173.8 | 59.3 | -111.6 | 0 | 0 | 0 | 112.7 | R1587 I1588 C1681 R1684 D1688 | R1587-F1686 HydrophobicContact CG-CB 4.13Å; R1587-F1686 HydrophobicContact CG-CD1 4.49Å; R1587-F1686 HydrophobicContact CG-CD2 3.93Å; R1587-F1686 HydrophobicContact CG-CE2 4.46Å; R1587-F1686 HydrophobicContact CG-CG 3.96Å; R1587-F1686 VanDerWaalsContact CZ-CE2 3.46Å; R1587-F1686 VanDerWaalsContact NE-CE2 3.31Å; I1588-F1686 CarbonylContact O-C 3.59Å; I1588-F1686 WeakPolarHBondContact O-CA 3.32Å; I1588-F1686 WeakPolarHBondContact O-CB 3.43Å; C1681-F1686 WeakPolarHBondContact CA-O 3.49Å; C1681-F1686 HydrophobicContact CB-CD2 3.55Å; C1681-F1686 HydrophobicContact CB-CE2 3.31Å; C1681-F1686 HydrophobicContact CB-CG 4.23Å; C1681-F1686 HydrophobicContact CB-CZ 3.87Å; C1681-F1686 WeakPolarHBondContact CB-O 3.34Å; C1681-F1686 PolarHBondContact N-O 3.45Å; R1684-F1686 HydrophobicContact CB-CD1 3.7Å; R1684-F1686 HydrophobicContact CB-CE1 3.31Å; R1684-F1686 HydrophobicContact CB-CZ 3.92Å; R1684-F1686 HydrophobicContact CG-CE1 4.08Å; R1684-F1686 HydrophobicContact CG-CZ 4.39Å; F1686-D1688 VanDerWaalsContact CE2-OD2 3.3Å; F1686-D1688 WeakPolarHBondContact CE2-OD2 3.32Å |
| 1687 | V | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.6 | 167.9 | 180 | 0 | 0 | 0 | 0 | 108.7 | L1545 R1587 I1588 L1590 L1654 V1657 V1679 H1680 L1689 | L1545-V1687 HydrophobicContact CD1-CB 4.49Å; L1545-V1687 HydrophobicContact CD1-CG1 3.65Å; L1545-V1687 HydrophobicContact CD1-CG2 3.96Å; R1587-V1687 CarbonylContact C-O 3.58Å; R1587-V1687 WeakPolarHBondContact CA-O 3.04Å; I1588-V1687 PolarHBondContact N-O 2.89Å; I1588-V1687 PolarHBondContact O-N 3.1Å; L1590-V1687 HydrophobicContact CD1-CG2 4.06Å; L1590-V1687 HydrophobicContact CD2-CG2 4.4Å; L1590-V1687 HydrophobicContact CG-CG2 4.37Å; L1654-V1687 HydrophobicContact CD1-CG2 3.83Å; V1657-V1687 HydrophobicContact CG1-CB 4.17Å; V1657-V1687 HydrophobicContact CG1-CG1 3.87Å; V1657-V1687 HydrophobicContact CG1-CG2 4.25Å; V1679-V1687 WeakPolarHBondContact O-CA 3.26Å; H1680-V1687 HydrophobicContact CB-CG2 4.32Å; V1687-L1689 HydrophobicContact CG1-CD2 3.76Å |
| 1688 | D | 91.7 | Very high | 87.5 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.7 | 170.7 | -74.8 | -26.9 | 0 | 0 | 0 | 110.3 | W1557 V1585 R1587 A1678 V1679 F1686 F1690 | W1557-D1688 WeakPolarHBondContact CZ2-OD2 3.31Å; V1585-D1688 HydrophobicContact CG1-CB 3.87Å; R1587-D1688 WeakPolarHBondContact CA-OD1 3.13Å; R1587-D1688 WeakPolarHBondContact CB-OD1 3.31Å; R1587-D1688 WeakPolarHBondContact CG-OD1 3.37Å; R1587-D1688 IonicContact CZ-OD1 3.61Å; R1587-D1688 IonicContact CZ-OD2 3.78Å; R1587-D1688 IonicContact NE-OD1 3.3Å; R1587-D1688 PolarHBondContact NE-OD1 2.77Å; R1587-D1688 IonicContact NE-OD2 2.65Å; R1587-D1688 PolarHBondContact NE-OD2 2.95Å; R1587-D1688 IonicContact NH2-OD1 2.77Å; R1587-D1688 IonicContact NH2-OD2 2.74Å; R1587-D1688 PolarHBondContact NH2-OD2 2.85Å; A1678-D1688 CarbonylContact C-O 3.55Å; A1678-D1688 WeakPolarHBondContact CA-O 3.29Å; V1679-D1688 PolarHBondContact N-O 2.91Å; V1679-D1688 PolarHBondContact O-N 3.17Å; F1686-D1688 VanDerWaalsContact CE2-OD2 3.3Å; F1686-D1688 WeakPolarHBondContact CE2-OD2 3.32Å; D1688-F1690 HydrophobicContact CB-CE2 3.73Å; D1688-F1690 HydrophobicContact CB-CZ 3.86Å |
| 1689 | L | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.1 | 173.4 | -51.7 | -174.2 | 0 | 0 | 0 | 109.6 | V1585 K1586 I1588 V1657 V1661 L1675 A1678 V1687 I1691 | V1585-L1689 CarbonylContact C-O 3.54Å; V1585-L1689 VanDerWaalsContact CA-O 3.31Å; V1585-L1689 WeakPolarHBondContact CA-O 3.24Å; K1586-L1689 HydrophobicContact CB-CB 4.22Å; K1586-L1689 HydrophobicContact CD-CD1 4.18Å; K1586-L1689 HydrophobicContact CG-CD1 4.48Å; K1586-L1689 PolarHBondContact N-O 3.35Å; K1586-L1689 PolarHBondContact O-N 3.36Å; I1588-L1689 HydrophobicContact CD1-CD1 3.79Å; I1588-L1689 HydrophobicContact CD1-CG 4.24Å; V1657-L1689 HydrophobicContact CG1-CD2 4.28Å; V1661-L1689 HydrophobicContact CG2-CD2 3.44Å; V1661-L1689 VanDerWaalsContact CG2-CD2 3.44Å; L1675-L1689 HydrophobicContact CD1-CB 3.97Å; A1678-L1689 HydrophobicContact CB-CD2 3.47Å; A1678-L1689 VanDerWaalsContact CB-CD2 3.47Å; V1687-L1689 HydrophobicContact CG1-CD2 3.76Å; L1689-I1691 HydrophobicContact CB-CD1 3.95Å; L1689-I1691 HydrophobicContact CB-CG1 4.24Å |
| 1690 | F | 92.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 110.7 | -176.8 | -62.8 | -90.5 | 0 | 0 | 0 | 110 | L1532 Y1551 W1557 V1585 L1675 F1676 G1677 V1679 D1688 | L1532-F1690 HydrophobicContact CD1-CD2 3.71Å; L1532-F1690 HydrophobicContact CD1-CE2 4.2Å; L1532-F1690 HydrophobicContact CD1-CG 4.2Å; L1532-F1690 HydrophobicContact CD2-CB 3.56Å; L1532-F1690 HydrophobicContact CD2-CD2 4.26Å; L1532-F1690 HydrophobicContact CD2-CG 3.93Å; Y1551-F1690 HydrophobicContact CD1-CE1 4.1Å; Y1551-F1690 HydrophobicContact CD1-CE2 4.16Å; Y1551-F1690 AromaticContact CD1-CZ 3.85Å; Y1551-F1690 HydrophobicContact CD1-CZ 3.85Å; Y1551-F1690 AromaticContact CE1-CD1 3.85Å; Y1551-F1690 HydrophobicContact CE1-CD1 3.85Å; Y1551-F1690 AromaticContact CE1-CE1 3.57Å; Y1551-F1690 HydrophobicContact CE1-CE1 3.57Å; Y1551-F1690 HydrophobicContact CE1-CE2 4.31Å; Y1551-F1690 HydrophobicContact CE1-CG 4.36Å; Y1551-F1690 AromaticContact CE1-CZ 3.82Å; Y1551-F1690 HydrophobicContact CE1-CZ 3.82Å; W1557-F1690 AromaticContact CD1-CE1 3.75Å; W1557-F1690 AromaticContact CD2-CE1 3.74Å; W1557-F1690 HydrophobicContact CD2-CE1 3.74Å; W1557-F1690 HydrophobicContact CD2-CZ 4.34Å; W1557-F1690 AromaticContact CE2-CE1 3.5Å; W1557-F1690 VanDerWaalsContact CE2-CE1 3.5Å; W1557-F1690 AromaticContact CE2-CZ 3.63Å; W1557-F1690 HydrophobicContact CE3-CE1 4.43Å; W1557-F1690 AromaticContact CG-CE1 3.88Å; W1557-F1690 HydrophobicContact CG-CE1 3.88Å; W1557-F1690 AromaticContact CZ2-CE1 3.96Å; W1557-F1690 HydrophobicContact CZ2-CE1 3.96Å; W1557-F1690 AromaticContact CZ2-CZ 3.89Å; W1557-F1690 HydrophobicContact CZ2-CZ 3.89Å; W1557-F1690 AromaticContact NE1-CE1 3.53Å; W1557-F1690 AromaticContact NE1-CZ 3.43Å; V1585-F1690 HydrophobicContact CG1-CE1 4.34Å; V1585-F1690 HydrophobicContact CG2-CD1 3.53Å; V1585-F1690 HydrophobicContact CG2-CE1 3.65Å; V1585-F1690 HydrophobicContact CG2-CG 4.41Å; L1675-F1690 WeakPolarHBondContact CD1-O 3.29Å; F1676-F1690 WeakPolarHBondContact CB-O 3.02Å; F1676-F1690 PolarHBondContact N-O 3.37Å; G1677-F1690 PolarHBondContact N-O 3.25Å; G1677-F1690 PolarHBondContact O-N 3.26Å; V1679-F1690 HydrophobicContact CB-CE2 4.2Å; V1679-F1690 HydrophobicContact CG2-CE2 3.88Å; D1688-F1690 HydrophobicContact CB-CE2 3.73Å; D1688-F1690 HydrophobicContact CB-CZ 3.86Å |
| 1691 | I | 91.9 | Very high | 88 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.062 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 155.3 | -162.3 | -61.6 | 169 | 0 | 0 | 0 | 109.6 | A1584 K1586 L1673 L1675 L1689 W1693 | A1584-I1691 HydrophobicContact CB-CB 4.44Å; A1584-I1691 PolarHBondContact N-O 3.46Å; A1584-I1691 PolarHBondContact O-N 2.87Å; K1586-I1691 HydrophobicContact CB-CD1 3.91Å; K1586-I1691 HydrophobicContact CD-CD1 4.45Å; L1673-I1691 HydrophobicContact CD1-CG2 4.17Å; L1673-I1691 HydrophobicContact CD2-CG2 3.44Å; L1673-I1691 VanDerWaalsContact CD2-CG2 3.44Å; L1673-I1691 HydrophobicContact CG-CG2 3.56Å; L1675-I1691 HydrophobicContact CD1-CD1 4.36Å; L1675-I1691 HydrophobicContact CD1-CG1 3.58Å; L1689-I1691 HydrophobicContact CB-CD1 3.95Å; L1689-I1691 HydrophobicContact CB-CG1 4.24Å; I1691-W1693 PolarHBondContact O-N 3.34Å |
| 1692 | E | 90.9 | Very high | 88.3 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 130.3 | 170.5 | -174.1 | 175.4 | -166.7 | 0 | 0 | 112.8 | L1673 R1674 F1676 M1694 K1753 | L1673-E1692 HydrophobicContact CD1-CB 4.01Å; R1674-E1692 HydrophobicContact CB-CB 4.32Å; R1674-E1692 PolarHBondContact O-N 2.9Å; F1676-E1692 HydrophobicContact CE2-CB 4.18Å; F1676-E1692 HydrophobicContact CZ-CB 4.16Å; E1692-M1694 HydrophobicContact CG-SD 4.26Å; E1692-K1753 IonicContact OE1-NZ 3.35Å; E1692-K1753 PolarHBondContact OE1-NZ 2.83Å; E1692-K1753 IonicContact OE2-NZ 3.04Å; E1692-K1753 PolarHBondContact OE2-NZ 2.85Å |
| 1693 | W | 90.3 | Very high | 89.1 | Confident | 77 Ų | 77 | 34 Ų | 34 | 29% | 0.292 | 18% | 0.181 | S | C | . | . | trans | -78.7 | 126.5 | 177.2 | 179.8 | 52.6 | 0 | 0 | 0 | 111.2 | L1582 I1691 P1695 | L1582-W1693 HydrophobicContact CB-CD2 4.14Å; L1582-W1693 HydrophobicContact CB-CE3 3.63Å; L1582-W1693 HydrophobicContact CB-CZ3 4.03Å; L1582-W1693 HydrophobicContact CD1-CE3 4.02Å; L1582-W1693 HydrophobicContact CD1-CH2 3.83Å; L1582-W1693 HydrophobicContact CD1-CZ3 3.5Å; L1582-W1693 HydrophobicContact CG-CE3 4.49Å; L1582-W1693 HydrophobicContact CG-CZ3 4.42Å; I1691-W1693 PolarHBondContact O-N 3.34Å; W1693-P1695 HydrophobicContact CD2-CB 4.34Å; W1693-P1695 HydrophobicContact CD2-CG 4.44Å; W1693-P1695 HydrophobicContact CE3-CG 4.32Å; W1693-P1695 HydrophobicContact CH2-CB 3.91Å; W1693-P1695 HydrophobicContact CH2-CG 4.36Å; W1693-P1695 HydrophobicContact CZ2-CB 3.69Å; W1693-P1695 HydrophobicContact CZ2-CG 4.47Å; W1693-P1695 HydrophobicContact CZ3-CB 4.31Å; W1693-P1695 HydrophobicContact CZ3-CG 4.27Å; W1693-P1695 VanDerWaalsContact O-CD 3.29Å; W1693-P1695 WeakPolarHBondContact O-CD 3.45Å | ||
| 1694 | M | 92.7 | Very high | 89.9 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | trans | -116.6 | 85.1 | -177.4 | -63.2 | -62.4 | -73.3 | 0 | 0 | 110.2 | L1673 E1692 G1696 G1697 L1744 I1745 D1746 K1753 | L1673-M1694 HydrophobicContact CD1-CG 3.41Å; L1673-M1694 VanDerWaalsContact CD1-CG 3.41Å; L1673-M1694 HydrophobicContact CD1-SD 3.96Å; E1692-M1694 HydrophobicContact CG-SD 4.26Å; M1694-G1696 VanDerWaalsContact C-N 3.27Å; M1694-G1696 PolarHBondContact O-N 2.98Å; M1694-G1697 PolarHBondContact O-N 3.46Å; M1694-L1744 HydrophobicContact CB-CB 3.73Å; M1694-L1744 HydrophobicContact CB-CD1 4.05Å; M1694-L1744 HydrophobicContact CE-CB 4.16Å; M1694-L1744 HydrophobicContact CG-CB 3.81Å; M1694-L1744 HydrophobicContact CG-CD1 4.04Å; M1694-I1745 CarbonylContact C-O 3.34Å; M1694-I1745 VanDerWaalsContact CE-C 3.41Å; M1694-D1746 HydrophobicContact CE-CB 4.16Å; M1694-K1753 HydrophobicContact CE-CB 3.9Å; M1694-K1753 HydrophobicContact CE-CD 3.75Å; M1694-K1753 HydrophobicContact CE-CG 3.72Å; M1694-K1753 HydrophobicContact SD-CD 3.89Å | ||
| 1695 | P | 89.2 | Confident | 90.6 | Very high | 58 Ų | 58 | 26.3 Ų | 26.3 | 38% | 0.377 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.1 | -171.8 | 25.6 | -34.3 | 0 | 0 | 0 | 115.1 | W1693 G1697 | W1693-P1695 HydrophobicContact CD2-CB 4.34Å; W1693-P1695 HydrophobicContact CD2-CG 4.44Å; W1693-P1695 HydrophobicContact CE3-CG 4.32Å; W1693-P1695 HydrophobicContact CH2-CB 3.91Å; W1693-P1695 HydrophobicContact CH2-CG 4.36Å; W1693-P1695 HydrophobicContact CZ2-CB 3.69Å; W1693-P1695 HydrophobicContact CZ2-CG 4.47Å; W1693-P1695 HydrophobicContact CZ3-CB 4.31Å; W1693-P1695 HydrophobicContact CZ3-CG 4.27Å; W1693-P1695 VanDerWaalsContact O-CD 3.29Å; W1693-P1695 WeakPolarHBondContact O-CD 3.45Å; P1695-G1697 PolarHBondContact O-N 3.41Å |
| 1696 | G | 87.6 | Confident | 91.1 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 22% | 0.216 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | 1.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1694 I1745 | M1694-G1696 VanDerWaalsContact C-N 3.27Å; M1694-G1696 PolarHBondContact O-N 2.98Å; G1696-I1745 VanDerWaalsContact CA-O 3.26Å; G1696-I1745 WeakPolarHBondContact CA-O 3.34Å; G1696-I1745 PolarHBondContact N-O 3.22Å |
| 1697 | G | 90.9 | Very high | 91.4 | Very high | 28 Ų | 28 | 32.3 Ų | 32.3 | 29% | 0.289 | 18% | 0.178 | S | C | . | . | trans | 70.1 | -140.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1694 P1695 L1744 I1745 | M1694-G1697 PolarHBondContact O-N 3.46Å; P1695-G1697 PolarHBondContact O-N 3.41Å; G1697-L1744 CarbonylContact O-C 3.47Å; G1697-L1744 WeakPolarHBondContact O-CA 3.47Å; G1697-I1745 PolarHBondContact O-N 3.09Å | ||
| 1698 | S | 94.2 | Very high | 91.6 | Very high | 19 Ų | 19 | 35 Ų | 35 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -117 | 161.8 | 175.8 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | T1700 S1701 L1702 G1740 A1741 L1743 | S1698-T1700 PolarHBondContact O-N 3.09Å; S1698-S1701 PolarHBondContact N-OG 2.84Å; S1698-S1701 WeakPolarHBondContact O-CA 3.49Å; S1698-S1701 WeakPolarHBondContact O-CB 3.44Å; S1698-S1701 PolarHBondContact O-N 3.29Å; S1698-S1701 PolarHBondContact O-OG 2.87Å; S1698-S1701 PolarHBondContact OG-N 3Å; S1698-L1702 PolarHBondContact O-N 2.82Å; S1698-G1740 WeakPolarHBondContact CB-O 3.47Å; S1698-A1741 VanDerWaalsContact CB-O 3.31Å; S1698-A1741 WeakPolarHBondContact CB-O 3.14Å; S1698-L1743 CarbonylContact C-O 3.54Å; S1698-L1743 VanDerWaalsContact CA-O 3.27Å; S1698-L1743 WeakPolarHBondContact CA-O 3.41Å |
| 1699 | I | 95.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -52.4 | -43.3 | 172.9 | -72 | -77.4 | 0 | 0 | 0 | 111 | S1701 L1702 L1703 F1709 Y1717 G1740 L1743 I1745 I1752 M1810 | I1699-S1701 VanDerWaalsContact C-N 3.31Å; I1699-S1701 PolarHBondContact O-N 3.43Å; I1699-L1702 PolarHBondContact O-N 3.38Å; I1699-L1703 HydrophobicContact CG2-CD1 3.73Å; I1699-L1703 HydrophobicContact CG2-CG 4.32Å; I1699-L1703 VanDerWaalsContact O-CG 3.26Å; I1699-L1703 WeakPolarHBondContact O-CG 3.45Å; I1699-L1703 PolarHBondContact O-N 3.1Å; I1699-F1709 HydrophobicContact CD1-CE2 3.89Å; I1699-F1709 HydrophobicContact CD1-CZ 4.5Å; I1699-F1709 HydrophobicContact CG2-CE2 4.32Å; I1699-Y1717 HydrophobicContact CD1-CD1 4.49Å; I1699-Y1717 HydrophobicContact CD1-CD2 3.51Å; I1699-Y1717 HydrophobicContact CD1-CE2 3.72Å; I1699-Y1717 HydrophobicContact CD1-CG 3.94Å; I1699-G1740 WeakPolarHBondContact CB-O 3.4Å; I1699-G1740 PolarHBondContact N-O 3.01Å; I1699-G1740 VanDerWaalsContact N-O 3.14Å; I1699-L1743 HydrophobicContact CB-CB 4.19Å; I1699-L1743 HydrophobicContact CG1-CB 3.72Å; I1699-L1743 HydrophobicContact CG1-CD1 4.34Å; I1699-L1743 PolarHBondContact N-O 3.35Å; I1699-I1745 HydrophobicContact CD1-CD1 3.71Å; I1699-I1745 HydrophobicContact CD1-CG1 4.42Å; I1699-I1745 HydrophobicContact CG1-CD1 3.99Å; I1699-I1745 HydrophobicContact CG1-CG1 4.44Å; I1699-I1752 HydrophobicContact CD1-CG2 3.92Å; I1699-I1752 HydrophobicContact CG1-CG2 4.13Å; I1699-M1810 HydrophobicContact CD1-SD 4.12Å; I1699-M1810 HydrophobicContact CG2-CG 3.67Å; I1699-M1810 HydrophobicContact CG2-SD 4.13Å |
| 1700 | T | 93.1 | Very high | 91.8 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 175.3 | -57.6 | 0 | 0 | 0 | 0 | 112 | S1698 L1703 Q1704 G1740 A1741 E1809 | S1698-T1700 PolarHBondContact O-N 3.09Å; T1700-L1703 PolarHBondContact O-N 3.4Å; T1700-Q1704 WeakPolarHBondContact O-CG 3.45Å; T1700-Q1704 PolarHBondContact O-N 3.47Å; T1700-G1740 PolarHBondContact N-O 2.96Å; T1700-G1740 VanDerWaalsContact N-O 3.16Å; T1700-G1740 VanDerWaalsContact OG1-CA 3.32Å; T1700-G1740 WeakPolarHBondContact OG1-CA 3.44Å; T1700-A1741 PolarHBondContact OG1-N 3.02Å; T1700-E1809 PolarHBondContact OG1-OE1 3.07Å |
| 1701 | S | 90.2 | Very high | 91.9 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.9 | -37.5 | 177 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | S1698 I1699 Q1704 Q1705 | S1698-S1701 PolarHBondContact N-OG 2.84Å; S1698-S1701 WeakPolarHBondContact O-CA 3.49Å; S1698-S1701 WeakPolarHBondContact O-CB 3.44Å; S1698-S1701 PolarHBondContact O-N 3.29Å; S1698-S1701 PolarHBondContact O-OG 2.87Å; S1698-S1701 PolarHBondContact OG-N 3Å; I1699-S1701 VanDerWaalsContact C-N 3.31Å; I1699-S1701 PolarHBondContact O-N 3.43Å; S1701-Q1704 PolarHBondContact O-N 2.93Å; S1701-Q1705 PolarHBondContact O-N 3.05Å |
| 1702 | L | 91.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.4 | -36.2 | 172.8 | -67.2 | -159.1 | 0 | 0 | 0 | 112.3 | S1698 I1699 Q1704 Q1705 Y1706 F1709 I1745 | S1698-L1702 PolarHBondContact O-N 2.82Å; I1699-L1702 PolarHBondContact O-N 3.38Å; L1702-Q1704 VanDerWaalsContact C-N 3.34Å; L1702-Q1705 PolarHBondContact O-N 3.24Å; L1702-Y1706 HydrophobicContact CB-CD2 4.36Å; L1702-Y1706 HydrophobicContact CD2-CD2 4.43Å; L1702-Y1706 HydrophobicContact CD2-CE2 4.15Å; L1702-Y1706 WeakPolarHBondContact O-CB 3.35Å; L1702-Y1706 PolarHBondContact O-N 3.47Å; L1702-F1709 HydrophobicContact CB-CE1 4.3Å; L1702-F1709 HydrophobicContact CB-CZ 3.88Å; L1702-I1745 HydrophobicContact CD1-CD1 3.3Å; L1702-I1745 HydrophobicContact CG-CD1 3.7Å |
| 1703 | L | 93.8 | Very high | 92 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -34.3 | 175.3 | -69.2 | 167.6 | 0 | 0 | 0 | 112 | I1699 T1700 G1707 F1709 E1809 M1810 | I1699-L1703 HydrophobicContact CG2-CD1 3.73Å; I1699-L1703 HydrophobicContact CG2-CG 4.32Å; I1699-L1703 VanDerWaalsContact O-CG 3.26Å; I1699-L1703 WeakPolarHBondContact O-CG 3.45Å; I1699-L1703 PolarHBondContact O-N 3.1Å; T1700-L1703 PolarHBondContact O-N 3.4Å; L1703-G1707 VanDerWaalsContact O-CA 3.24Å; L1703-G1707 WeakPolarHBondContact O-CA 3.2Å; L1703-G1707 PolarHBondContact O-N 2.79Å; L1703-F1709 HydrophobicContact CD2-CD1 3.62Å; L1703-F1709 HydrophobicContact CD2-CD2 4.01Å; L1703-F1709 HydrophobicContact CD2-CE1 3.57Å; L1703-F1709 HydrophobicContact CD2-CE2 3.96Å; L1703-F1709 HydrophobicContact CD2-CG 3.84Å; L1703-F1709 HydrophobicContact CD2-CZ 3.75Å; L1703-F1709 HydrophobicContact CG-CE1 4.13Å; L1703-F1709 HydrophobicContact CG-CE2 4.26Å; L1703-F1709 HydrophobicContact CG-CZ 3.93Å; L1703-E1809 HydrophobicContact CD1-CG 3.93Å; L1703-M1810 HydrophobicContact CD1-CG 4.25Å |
| 1704 | Q | 90.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 39.6 Ų | 39.6 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 170.1 | -72.3 | 175.6 | 12.6 | 0 | 0 | 112.1 | T1700 S1701 L1702 | T1700-Q1704 WeakPolarHBondContact O-CG 3.45Å; T1700-Q1704 PolarHBondContact O-N 3.47Å; S1701-Q1704 PolarHBondContact O-N 2.93Å; L1702-Q1704 VanDerWaalsContact C-N 3.34Å |
| 1705 | Q | 88.9 | Confident | 92.3 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -75.7 | -49.9 | -179 | -174.3 | -170.4 | 4.8 | 0 | 0 | 113.5 | Y1457 S1701 L1702 | Y1457-Q1705 HydrophobicContact CE1-CG 4.08Å; Y1457-Q1705 VanDerWaalsContact CZ-OE1 3.25Å; Y1457-Q1705 VanDerWaalsContact OH-CD 3.3Å; Y1457-Q1705 PolarHBondContact OH-NE2 3.18Å; Y1457-Q1705 PolarHBondContact OH-OE1 3.21Å; S1701-Q1705 PolarHBondContact O-N 3.05Å; L1702-Q1705 PolarHBondContact O-N 3.24Å |
| 1706 | Y | 90.1 | Very high | 92.5 | Very high | 145 Ų | 145 | 39.1 Ų | 39.1 | 57% | 0.569 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -103.5 | -14.1 | -168.3 | -66.2 | -66.3 | 0 | 0 | 0 | 114 | L1702 | L1702-Y1706 HydrophobicContact CB-CD2 4.36Å; L1702-Y1706 HydrophobicContact CD2-CD2 4.43Å; L1702-Y1706 HydrophobicContact CD2-CE2 4.15Å; L1702-Y1706 WeakPolarHBondContact O-CB 3.35Å; L1702-Y1706 PolarHBondContact O-N 3.47Å |
| 1707 | G | 92.7 | Very high | 92.9 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | trans | 76.4 | -166.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1703 S1813 | L1703-G1707 VanDerWaalsContact O-CA 3.24Å; L1703-G1707 WeakPolarHBondContact O-CA 3.2Å; L1703-G1707 PolarHBondContact O-N 2.79Å; G1707-S1813 VanDerWaalsContact C-CB 3.49Å | ||
| 1708 | A | 93.6 | Very high | 93.2 | Very high | 56 Ų | 56 | 38 Ų | 38 | 46% | 0.463 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -60.6 | 136.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1813 | A1708-S1813 VanDerWaalsContact N-CB 3.27Å; A1708-S1813 PolarHBondContact N-OG 2.97Å; A1708-S1813 VanDerWaalsContact N-OG 3.08Å |
| 1709 | F | 94.7 | Very high | 93.3 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 10% | 0.096 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 152.7 | 174.4 | -60.9 | -14 | 0 | 0 | 0 | 110.9 | I1699 L1702 L1703 I1713 Y1717 M1810 | I1699-F1709 HydrophobicContact CD1-CE2 3.89Å; I1699-F1709 HydrophobicContact CD1-CZ 4.5Å; I1699-F1709 HydrophobicContact CG2-CE2 4.32Å; L1702-F1709 HydrophobicContact CB-CE1 4.3Å; L1702-F1709 HydrophobicContact CB-CZ 3.88Å; L1703-F1709 HydrophobicContact CD2-CD1 3.62Å; L1703-F1709 HydrophobicContact CD2-CD2 4.01Å; L1703-F1709 HydrophobicContact CD2-CE1 3.57Å; L1703-F1709 HydrophobicContact CD2-CE2 3.96Å; L1703-F1709 HydrophobicContact CD2-CG 3.84Å; L1703-F1709 HydrophobicContact CD2-CZ 3.75Å; L1703-F1709 HydrophobicContact CG-CE1 4.13Å; L1703-F1709 HydrophobicContact CG-CE2 4.26Å; L1703-F1709 HydrophobicContact CG-CZ 3.93Å; F1709-I1713 HydrophobicContact CB-CB 4.23Å; F1709-I1713 HydrophobicContact CB-CG2 4.05Å; F1709-I1713 HydrophobicContact CD2-CG2 3.68Å; F1709-I1713 HydrophobicContact CE2-CG2 4.24Å; F1709-I1713 HydrophobicContact CG-CG2 3.84Å; F1709-Y1717 HydrophobicContact CD2-CD2 4.07Å; F1709-Y1717 HydrophobicContact CD2-CE2 4.14Å; F1709-Y1717 AromaticContact CE2-CD2 3.78Å; F1709-Y1717 HydrophobicContact CE2-CD2 3.78Å; F1709-Y1717 AromaticContact CE2-CE2 3.61Å; F1709-Y1717 HydrophobicContact CE2-CE2 3.61Å; F1709-Y1717 HydrophobicContact CZ-CE2 4.21Å; F1709-M1810 HydrophobicContact CB-CB 4.49Å; F1709-M1810 HydrophobicContact CD2-CB 3.82Å; F1709-M1810 HydrophobicContact CD2-CG 3.68Å; F1709-M1810 HydrophobicContact CD2-SD 3.88Å; F1709-M1810 HydrophobicContact CE2-CB 4.5Å; F1709-M1810 HydrophobicContact CE2-CG 3.9Å; F1709-M1810 HydrophobicContact CE2-SD 4.04Å; F1709-M1810 HydrophobicContact CG-CB 4.49Å; F1709-M1810 PolarHBondContact N-O 3.19Å |
| 1710 | N | 93.5 | Very high | 93.4 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -78.6 | 164.5 | 168.6 | 69.3 | 17.9 | 0 | 0 | 0 | 110.5 | S1712 I1713 T1714 F1939 | N1710-S1712 PolarHBondContact O-N 2.82Å; N1710-S1712 VanDerWaalsContact O-N 3.17Å; N1710-S1712 PolarHBondContact OD1-N 2.64Å; N1710-I1713 PolarHBondContact O-N 2.77Å; N1710-I1713 VanDerWaalsContact O-N 3.16Å; N1710-I1713 PolarHBondContact OD1-N 3.12Å; N1710-T1714 PolarHBondContact O-N 2.85Å; N1710-T1714 PolarHBondContact O-OG1 2.76Å; N1710-F1939 VanDerWaalsContact ND2-CE1 3.34Å; N1710-F1939 WeakPolarHBondContact ND2-CE1 3.36Å |
| 1711 | E | 94.3 | Very high | 93.6 | Very high | 42 Ų | 42 | 36.8 Ų | 36.8 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -51.9 | -40.9 | 178.9 | -66.4 | -172.2 | -129.7 | 0 | 0 | 112.7 | I1713 T1714 L1715 L1811 L1845 T1846 L1849 | E1711-I1713 PolarHBondContact O-N 2.94Å; E1711-T1714 PolarHBondContact O-N 2.69Å; E1711-L1715 HydrophobicContact CB-CD1 4.26Å; E1711-L1715 VanDerWaalsContact O-CB 3.22Å; E1711-L1715 WeakPolarHBondContact O-CB 3.33Å; E1711-L1715 VanDerWaalsContact O-CD1 3.3Å; E1711-L1715 WeakPolarHBondContact O-CD1 3.44Å; E1711-L1715 WeakPolarHBondContact O-CG 3.47Å; E1711-L1715 PolarHBondContact O-N 3.3Å; E1711-L1811 HydrophobicContact CG-CD2 4.23Å; E1711-L1845 HydrophobicContact CG-CD2 3.9Å; E1711-L1845 WeakPolarHBondContact OE1-CA 3.48Å; E1711-T1846 PolarHBondContact OE1-N 2.92Å; E1711-T1846 WeakPolarHBondContact OE2-CB 3.16Å; E1711-T1846 VanDerWaalsContact OE2-CG2 3.31Å; E1711-T1846 WeakPolarHBondContact OE2-CG2 3.43Å; E1711-T1846 PolarHBondContact OE2-N 3.46Å; E1711-T1846 PolarHBondContact OE2-OG1 2.91Å; E1711-L1849 HydrophobicContact CB-CD2 4.18Å; E1711-L1849 HydrophobicContact CG-CD2 3.65Å; E1711-L1849 WeakPolarHBondContact OE2-CD2 3.41Å |
| 1712 | S | 91.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 39% | 0.392 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.4 | -41.3 | -178.2 | -179 | 0 | 0 | 0 | 0 | 113 | N1710 N1716 | N1710-S1712 PolarHBondContact O-N 2.82Å; N1710-S1712 VanDerWaalsContact O-N 3.17Å; N1710-S1712 PolarHBondContact OD1-N 2.64Å; S1712-N1716 WeakPolarHBondContact O-CB 3.38Å; S1712-N1716 PolarHBondContact O-N 2.74Å; S1712-N1716 PolarHBondContact O-ND2 3.06Å; S1712-N1716 VanDerWaalsContact O-ND2 3.08Å |
| 1713 | I | 93 | Very high | 94.2 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 23% | 0.226 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -74.9 | -44.9 | 176.3 | -68.7 | -175.6 | 0 | 0 | 0 | 110.8 | F1709 N1710 E1711 L1715 N1716 Y1717 F1939 | F1709-I1713 HydrophobicContact CB-CB 4.23Å; F1709-I1713 HydrophobicContact CB-CG2 4.05Å; F1709-I1713 HydrophobicContact CD2-CG2 3.68Å; F1709-I1713 HydrophobicContact CE2-CG2 4.24Å; F1709-I1713 HydrophobicContact CG-CG2 3.84Å; N1710-I1713 PolarHBondContact O-N 2.77Å; N1710-I1713 VanDerWaalsContact O-N 3.16Å; N1710-I1713 PolarHBondContact OD1-N 3.12Å; E1711-I1713 PolarHBondContact O-N 2.94Å; I1713-L1715 PolarHBondContact O-N 3.44Å; I1713-N1716 PolarHBondContact O-N 2.76Å; I1713-N1716 VanDerWaalsContact O-N 3.17Å; I1713-Y1717 HydrophobicContact CG2-CD2 3.59Å; I1713-Y1717 HydrophobicContact CG2-CE2 3.35Å; I1713-Y1717 PolarHBondContact O-N 3.45Å; I1713-F1939 HydrophobicContact CD1-CE2 3.44Å; I1713-F1939 VanDerWaalsContact CD1-CE2 3.44Å; I1713-F1939 HydrophobicContact CD1-CZ 3.53Å |
| 1714 | T | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.8 | -42.6 | 173.8 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | N1710 E1711 G1718 L1807 M1810 L1811 | N1710-T1714 PolarHBondContact O-N 2.85Å; N1710-T1714 PolarHBondContact O-OG1 2.76Å; E1711-T1714 PolarHBondContact O-N 2.69Å; T1714-G1718 WeakPolarHBondContact O-CA 3.24Å; T1714-G1718 PolarHBondContact O-N 2.77Å; T1714-L1807 HydrophobicContact CG2-CB 4.3Å; T1714-L1807 HydrophobicContact CG2-CD2 3.66Å; T1714-M1810 HydrophobicContact CG2-CB 4.15Å; T1714-M1810 HydrophobicContact CG2-CE 4.33Å; T1714-L1811 HydrophobicContact CG2-CD1 4.24Å; T1714-L1811 HydrophobicContact CG2-CD2 3.96Å; T1714-L1811 HydrophobicContact CG2-CG 3.81Å; T1714-L1811 WeakPolarHBondContact OG1-CD2 3.21Å |
| 1715 | L | 94.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.7 | -40.1 | 179.1 | -69.7 | 163.2 | 0 | 0 | 0 | 112.2 | E1711 I1713 G1718 I1719 L1849 V1875 F1876 L1879 | E1711-L1715 HydrophobicContact CB-CD1 4.26Å; E1711-L1715 VanDerWaalsContact O-CB 3.22Å; E1711-L1715 WeakPolarHBondContact O-CB 3.33Å; E1711-L1715 VanDerWaalsContact O-CD1 3.3Å; E1711-L1715 WeakPolarHBondContact O-CD1 3.44Å; E1711-L1715 WeakPolarHBondContact O-CG 3.47Å; E1711-L1715 PolarHBondContact O-N 3.3Å; I1713-L1715 PolarHBondContact O-N 3.44Å; L1715-G1718 PolarHBondContact O-N 3.33Å; L1715-I1719 VanDerWaalsContact O-CG1 3.28Å; L1715-I1719 WeakPolarHBondContact O-CG1 3.49Å; L1715-I1719 PolarHBondContact O-N 3.41Å; L1715-L1849 HydrophobicContact CD2-CD1 4.04Å; L1715-V1875 HydrophobicContact CD1-CG2 3.43Å; L1715-V1875 VanDerWaalsContact CD1-CG2 3.43Å; L1715-V1875 HydrophobicContact CD2-CB 4.31Å; L1715-V1875 HydrophobicContact CD2-CG1 3.83Å; L1715-V1875 HydrophobicContact CD2-CG2 3.52Å; L1715-V1875 HydrophobicContact CG-CG2 4.12Å; L1715-F1876 HydrophobicContact CB-CE1 4.43Å; L1715-F1876 HydrophobicContact CD2-CD1 3.91Å; L1715-F1876 HydrophobicContact CD2-CE1 3.43Å; L1715-F1876 VanDerWaalsContact CD2-CE1 3.43Å; L1715-F1876 HydrophobicContact CD2-CZ 4.04Å; L1715-L1879 HydrophobicContact CB-CD1 3.52Å; L1715-L1879 HydrophobicContact CD1-CD1 3.98Å; L1715-L1879 HydrophobicContact CG-CD1 4.27Å |
| 1716 | N | 93.1 | Very high | 95 | Very high | 55 Ų | 55 | 31 Ų | 31 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.3 | -38.3 | 177.3 | -83.2 | -37.7 | 0 | 0 | 0 | 112.8 | S1712 I1713 Q1720 Q1883 | S1712-N1716 WeakPolarHBondContact O-CB 3.38Å; S1712-N1716 PolarHBondContact O-N 2.74Å; S1712-N1716 PolarHBondContact O-ND2 3.06Å; S1712-N1716 VanDerWaalsContact O-ND2 3.08Å; I1713-N1716 PolarHBondContact O-N 2.76Å; I1713-N1716 VanDerWaalsContact O-N 3.17Å; N1716-Q1720 PolarHBondContact O-NE2 2.9Å; N1716-Q1883 PolarHBondContact OD1-NE2 2.97Å |
| 1717 | Y | 96.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 10% | 0.102 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.8 | -37.5 | 168.7 | -65.9 | -41.5 | 0 | 0 | 0 | 111.4 | I1699 F1709 I1713 I1719 Q1720 L1721 G1749 I1752 M1810 | I1699-Y1717 HydrophobicContact CD1-CD1 4.49Å; I1699-Y1717 HydrophobicContact CD1-CD2 3.51Å; I1699-Y1717 HydrophobicContact CD1-CE2 3.72Å; I1699-Y1717 HydrophobicContact CD1-CG 3.94Å; F1709-Y1717 HydrophobicContact CD2-CD2 4.07Å; F1709-Y1717 HydrophobicContact CD2-CE2 4.14Å; F1709-Y1717 AromaticContact CE2-CD2 3.78Å; F1709-Y1717 HydrophobicContact CE2-CD2 3.78Å; F1709-Y1717 AromaticContact CE2-CE2 3.61Å; F1709-Y1717 HydrophobicContact CE2-CE2 3.61Å; F1709-Y1717 HydrophobicContact CZ-CE2 4.21Å; I1713-Y1717 HydrophobicContact CG2-CD2 3.59Å; I1713-Y1717 HydrophobicContact CG2-CE2 3.35Å; I1713-Y1717 PolarHBondContact O-N 3.45Å; Y1717-I1719 PolarHBondContact O-N 2.83Å; Y1717-Q1720 WeakPolarHBondContact O-CB 3.2Å; Y1717-Q1720 PolarHBondContact O-N 3.32Å; Y1717-Q1720 VanDerWaalsContact O-N 3.09Å; Y1717-L1721 WeakPolarHBondContact O-CB 3.37Å; Y1717-L1721 PolarHBondContact O-N 2.77Å; Y1717-G1749 PolarHBondContact OH-O 3.4Å; Y1717-I1752 HydrophobicContact CD1-CG1 4.39Å; Y1717-I1752 HydrophobicContact CD1-CG2 3.47Å; Y1717-I1752 VanDerWaalsContact CD1-CG2 3.47Å; Y1717-I1752 HydrophobicContact CE1-CG2 3.82Å; Y1717-I1752 HydrophobicContact CG-CG2 4.05Å; Y1717-I1752 VanDerWaalsContact O-CD1 3.31Å; Y1717-I1752 WeakPolarHBondContact O-CD1 3.38Å; Y1717-M1810 HydrophobicContact CD2-SD 3.98Å; Y1717-M1810 HydrophobicContact CG-SD 4.45Å |
| 1718 | G | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55 | -46.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1714 L1715 Q1720 L1721 I1722 | T1714-G1718 WeakPolarHBondContact O-CA 3.24Å; T1714-G1718 PolarHBondContact O-N 2.77Å; L1715-G1718 PolarHBondContact O-N 3.33Å; G1718-Q1720 VanDerWaalsContact C-N 3.29Å; G1718-Q1720 PolarHBondContact O-N 2.91Å; G1718-L1721 PolarHBondContact O-N 2.77Å; G1718-I1722 WeakPolarHBondContact O-CB 3.42Å; G1718-I1722 WeakPolarHBondContact O-CD1 3.22Å; G1718-I1722 WeakPolarHBondContact O-CG1 3.38Å; G1718-I1722 PolarHBondContact O-N 3Å |
| 1719 | I | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.8 | -42.3 | 175.7 | -68.7 | 162.5 | 0 | 0 | 0 | 111.2 | L1715 Y1717 R1723 F1876 L1879 I1880 | L1715-I1719 VanDerWaalsContact O-CG1 3.28Å; L1715-I1719 WeakPolarHBondContact O-CG1 3.49Å; L1715-I1719 PolarHBondContact O-N 3.41Å; Y1717-I1719 PolarHBondContact O-N 2.83Å; I1719-R1723 HydrophobicContact CG2-CG 4.48Å; I1719-R1723 WeakPolarHBondContact O-CB 3.36Å; I1719-R1723 WeakPolarHBondContact O-CG 3.29Å; I1719-R1723 PolarHBondContact O-N 3.41Å; I1719-F1876 HydrophobicContact CD1-CD1 4.15Å; I1719-F1876 HydrophobicContact CG1-CB 4.31Å; I1719-F1876 HydrophobicContact CG1-CD1 3.43Å; I1719-F1876 VanDerWaalsContact CG1-CD1 3.43Å; I1719-F1876 HydrophobicContact CG1-CE1 4.08Å; I1719-F1876 HydrophobicContact CG1-CG 4.22Å; I1719-L1879 HydrophobicContact CD1-CB 3.54Å; I1719-L1879 HydrophobicContact CD1-CD1 4.04Å; I1719-L1879 HydrophobicContact CD1-CG 4.45Å; I1719-I1880 HydrophobicContact CD1-CG1 4.23Å; I1719-I1880 HydrophobicContact CG1-CG1 4.42Å; I1719-I1880 HydrophobicContact CG2-CD1 4.31Å; I1719-I1880 HydrophobicContact CG2-CG1 3.96Å |
| 1720 | Q | 96.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 12% | 0.121 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.5 | -40.5 | 179.9 | -71 | -175.7 | 72.9 | 0 | 0 | 112.5 | N1671 N1716 Y1717 G1718 R1723 G1724 T1750 I1752 | N1671-Q1720 WeakPolarHBondContact CB-O 3.3Å; N1671-Q1720 PolarHBondContact ND2-OE1 3.3Å; N1716-Q1720 PolarHBondContact O-NE2 2.9Å; Y1717-Q1720 WeakPolarHBondContact O-CB 3.2Å; Y1717-Q1720 PolarHBondContact O-N 3.32Å; Y1717-Q1720 VanDerWaalsContact O-N 3.09Å; G1718-Q1720 VanDerWaalsContact C-N 3.29Å; G1718-Q1720 PolarHBondContact O-N 2.91Å; Q1720-R1723 PolarHBondContact O-N 2.82Å; Q1720-G1724 PolarHBondContact O-N 3.28Å; Q1720-T1750 PolarHBondContact NE2-O 2.81Å; Q1720-I1752 HydrophobicContact CB-CD1 3.96Å; Q1720-I1752 HydrophobicContact CB-CG1 3.49Å; Q1720-I1752 VanDerWaalsContact CB-CG1 3.49Å; Q1720-I1752 HydrophobicContact CG-CG1 4.46Å |
| 1721 | L | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -47.9 | 174.4 | 169.2 | 56.1 | 0 | 0 | 0 | 110.2 | Y1717 G1718 G1724 L1725 L1738 L1743 I1752 I1754 V1803 C1806 | Y1717-L1721 WeakPolarHBondContact O-CB 3.37Å; Y1717-L1721 PolarHBondContact O-N 2.77Å; G1718-L1721 PolarHBondContact O-N 2.77Å; L1721-G1724 PolarHBondContact O-N 3.04Å; L1721-L1725 WeakPolarHBondContact O-CB 3.49Å; L1721-L1725 PolarHBondContact O-N 2.81Å; L1721-L1738 HydrophobicContact CD1-CD2 4.27Å; L1721-L1743 HydrophobicContact CD1-CD1 4.23Å; L1721-L1743 HydrophobicContact CD1-CD2 3.71Å; L1721-L1743 HydrophobicContact CD2-CD1 4.01Å; L1721-I1752 HydrophobicContact CB-CD1 3.82Å; L1721-I1754 HydrophobicContact CD1-CD1 3.99Å; L1721-I1754 HydrophobicContact CD1-CG1 4.18Å; L1721-V1803 HydrophobicContact CD1-CG2 4.34Å; L1721-V1803 HydrophobicContact CD2-CB 4.36Å; L1721-V1803 HydrophobicContact CD2-CG1 4.01Å; L1721-V1803 HydrophobicContact CD2-CG2 4.05Å; L1721-V1803 HydrophobicContact CG-CG1 4.41Å; L1721-V1803 HydrophobicContact CG-CG2 3.98Å; L1721-C1806 HydrophobicContact CD2-CB 3.95Å |
| 1722 | I | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.4 | -35.5 | -178.8 | -57.3 | 159.3 | 0 | 0 | 0 | 110.9 | G1718 L1725 A1726 V1803 A1867 L1870 L1871 F1876 | G1718-I1722 WeakPolarHBondContact O-CB 3.42Å; G1718-I1722 WeakPolarHBondContact O-CD1 3.22Å; G1718-I1722 WeakPolarHBondContact O-CG1 3.38Å; G1718-I1722 PolarHBondContact O-N 3Å; I1722-L1725 PolarHBondContact O-N 3.3Å; I1722-A1726 VanDerWaalsContact O-CB 3.25Å; I1722-A1726 WeakPolarHBondContact O-CB 3.41Å; I1722-A1726 PolarHBondContact O-N 3.41Å; I1722-V1803 HydrophobicContact CD1-CG1 4.37Å; I1722-V1803 HydrophobicContact CG1-CG1 3.92Å; I1722-A1867 HydrophobicContact CG2-CB 4.03Å; I1722-A1867 WeakPolarHBondContact CG2-O 3.28Å; I1722-L1870 HydrophobicContact CD1-CD2 3.64Å; I1722-L1870 HydrophobicContact CD1-CG 3.91Å; I1722-L1870 HydrophobicContact CG1-CD2 3.98Å; I1722-L1870 HydrophobicContact CG2-CB 4.3Å; I1722-L1870 HydrophobicContact CG2-CD2 4.4Å; I1722-L1871 HydrophobicContact CB-CD2 3.87Å; I1722-L1871 HydrophobicContact CB-CG 4.28Å; I1722-L1871 HydrophobicContact CG2-CD1 4.27Å; I1722-L1871 HydrophobicContact CG2-CD2 3.79Å; I1722-L1871 HydrophobicContact CG2-CG 3.62Å; I1722-F1876 HydrophobicContact CD1-CD2 4.21Å; I1722-F1876 HydrophobicContact CD1-CE1 4.26Å; I1722-F1876 HydrophobicContact CD1-CE2 3.56Å; I1722-F1876 HydrophobicContact CD1-CZ 3.57Å |
| 1723 | R | 97.1 | Very high | 94.4 | Very high | 75 Ų | 75 | 27.4 Ų | 27.4 | 28% | 0.283 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 169.9 | -78.8 | 170.9 | 178.6 | 157.6 | 2.5 | 111.6 | I1719 Q1720 A1726 Y1727 L1871 Q1883 | I1719-R1723 HydrophobicContact CG2-CG 4.48Å; I1719-R1723 WeakPolarHBondContact O-CB 3.36Å; I1719-R1723 WeakPolarHBondContact O-CG 3.29Å; I1719-R1723 PolarHBondContact O-N 3.41Å; Q1720-R1723 PolarHBondContact O-N 2.82Å; R1723-A1726 PolarHBondContact O-N 3.07Å; R1723-Y1727 PolarHBondContact O-N 3.09Å; R1723-Y1727 VanDerWaalsContact O-N 3.1Å; R1723-L1871 HydrophobicContact CG-CD1 4.29Å; R1723-L1871 HydrophobicContact CG-CD2 4.44Å; R1723-Q1883 VanDerWaalsContact NH1-OE1 3.08Å |
| 1724 | G | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1720 L1721 Y1727 L1728 | Q1720-G1724 PolarHBondContact O-N 3.28Å; L1721-G1724 PolarHBondContact O-N 3.04Å; G1724-Y1727 WeakPolarHBondContact O-CB 3.14Å; G1724-Y1727 PolarHBondContact O-N 3.14Å; G1724-L1728 PolarHBondContact O-N 2.73Å |
| 1725 | L | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 179.3 | -173.3 | 58.3 | 0 | 0 | 0 | 112.7 | L1721 I1722 Y1727 L1728 H1729 L1738 D1799 I1800 V1803 A1867 | L1721-L1725 WeakPolarHBondContact O-CB 3.49Å; L1721-L1725 PolarHBondContact O-N 2.81Å; I1722-L1725 PolarHBondContact O-N 3.3Å; L1725-Y1727 VanDerWaalsContact C-N 3.27Å; L1725-Y1727 PolarHBondContact O-N 2.76Å; L1725-L1728 PolarHBondContact O-N 3.1Å; L1725-H1729 VanDerWaalsContact CD1-NE2 3.33Å; L1725-H1729 WeakPolarHBondContact CD1-NE2 3.35Å; L1725-H1729 WeakPolarHBondContact O-CB 3.4Å; L1725-H1729 PolarHBondContact O-N 3.18Å; L1725-L1738 HydrophobicContact CD1-CD1 4.01Å; L1725-L1738 HydrophobicContact CD2-CD1 3.99Å; L1725-D1799 HydrophobicContact CD1-CB 3.83Å; L1725-D1799 HydrophobicContact CD2-CB 3.78Å; L1725-D1799 HydrophobicContact CG-CB 4.38Å; L1725-I1800 HydrophobicContact CD2-CD1 4Å; L1725-V1803 HydrophobicContact CD2-CG2 3.59Å; L1725-A1867 HydrophobicContact CG-CB 4.37Å |
| 1726 | A | 96.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -38.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1722 R1723 K1730 A1867 N1868 | I1722-A1726 VanDerWaalsContact O-CB 3.25Å; I1722-A1726 WeakPolarHBondContact O-CB 3.41Å; I1722-A1726 PolarHBondContact O-N 3.41Å; R1723-A1726 PolarHBondContact O-N 3.07Å; A1726-K1730 VanDerWaalsContact O-CB 3.24Å; A1726-K1730 WeakPolarHBondContact O-CB 3.29Å; A1726-K1730 PolarHBondContact O-N 3.13Å; A1726-A1867 HydrophobicContact CB-CB 3.85Å; A1726-N1868 WeakPolarHBondContact CB-OD1 3.31Å |
| 1727 | Y | 95.6 | Very high | 93.7 | Very high | 43 Ų | 43 | 24.3 Ų | 24.3 | 17% | 0.169 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 172.5 | 178.4 | -88.5 | 0 | 0 | 0 | 112.1 | L1667 D1668 H1669 I1672 R1723 G1724 L1725 K1730 H1731 | L1667-Y1727 HydrophobicContact CB-CE1 4.24Å; L1667-Y1727 HydrophobicContact CD2-CD1 4.43Å; L1667-Y1727 HydrophobicContact CD2-CE1 3.72Å; D1668-Y1727 PolarHBondContact N-OH 2.61Å; D1668-Y1727 PolarHBondContact O-OH 3.27Å; D1668-Y1727 VanDerWaalsContact O-OH 3.1Å; H1669-Y1727 HydrophobicContact CB-CD1 3.74Å; H1669-Y1727 HydrophobicContact CB-CD2 3.82Å; H1669-Y1727 HydrophobicContact CB-CE1 3.77Å; H1669-Y1727 HydrophobicContact CB-CE2 3.84Å; H1669-Y1727 HydrophobicContact CB-CG 3.77Å; H1669-Y1727 AromaticContact CD2-CD2 3.5Å; H1669-Y1727 AromaticContact CD2-CG 3.73Å; H1669-Y1727 AromaticContact CG-CD2 3.8Å; H1669-Y1727 AromaticContact CG-CG 3.68Å; I1672-Y1727 HydrophobicContact CG1-CD1 3.99Å; I1672-Y1727 HydrophobicContact CG1-CE1 4.45Å; R1723-Y1727 PolarHBondContact O-N 3.09Å; R1723-Y1727 VanDerWaalsContact O-N 3.1Å; G1724-Y1727 WeakPolarHBondContact O-CB 3.14Å; G1724-Y1727 PolarHBondContact O-N 3.14Å; L1725-Y1727 VanDerWaalsContact C-N 3.27Å; L1725-Y1727 PolarHBondContact O-N 2.76Å; Y1727-K1730 PolarHBondContact O-N 3.26Å; Y1727-H1731 AromaticContact CD1-ND1 3.93Å; Y1727-H1731 AromaticContact CD2-CE1 3.74Å; Y1727-H1731 AromaticContact CE1-CE1 3.93Å; Y1727-H1731 AromaticContact CE1-ND1 3.79Å; Y1727-H1731 AromaticContact CE2-CE1 3.33Å; Y1727-H1731 WeakPolarHBondContact CE2-CE1 3.4Å; Y1727-H1731 AromaticContact CE2-ND1 3.93Å; Y1727-H1731 AromaticContact CZ-CE1 3.42Å; Y1727-H1731 VanDerWaalsContact CZ-CE1 3.42Å; Y1727-H1731 AromaticContact CZ-ND1 3.78Å; Y1727-H1731 PolarHBondContact O-N 3.22Å; Y1727-H1731 PolarHBondContact O-ND1 3.2Å |
| 1728 | L | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.2 | -49.9 | 175.6 | -64.2 | 179 | 0 | 0 | 0 | 112 | L1667 I1672 G1724 L1725 K1730 H1731 G1732 I1733 H1735 I1754 F1757 | L1667-L1728 HydrophobicContact CD1-CD2 3.78Å; L1667-L1728 HydrophobicContact CD2-CD2 3.92Å; L1667-L1728 HydrophobicContact CG-CD2 4.5Å; I1672-L1728 HydrophobicContact CD1-CD1 3.96Å; I1672-L1728 HydrophobicContact CD1-CD2 3.83Å; I1672-L1728 HydrophobicContact CD1-CG 3.74Å; I1672-L1728 HydrophobicContact CG1-CD2 4.39Å; G1724-L1728 PolarHBondContact O-N 2.73Å; L1725-L1728 PolarHBondContact O-N 3.1Å; L1728-K1730 VanDerWaalsContact C-N 3.26Å; L1728-K1730 PolarHBondContact O-N 3.05Å; L1728-H1731 CarbonylContact O-C 3.53Å; L1728-H1731 WeakPolarHBondContact O-CA 3.24Å; L1728-H1731 PolarHBondContact O-N 3.42Å; L1728-G1732 PolarHBondContact O-N 2.98Å; L1728-I1733 CarbonylContact C-O 3.48Å; L1728-I1733 HydrophobicContact CB-CB 4.37Å; L1728-I1733 HydrophobicContact CB-CG2 4.47Å; L1728-I1733 HydrophobicContact CD2-CG2 4.32Å; L1728-I1733 PolarHBondContact O-N 3.21Å; L1728-H1735 HydrophobicContact CD1-CB 4.29Å; L1728-I1754 HydrophobicContact CD1-CD1 4.39Å; L1728-I1754 HydrophobicContact CD1-CG2 4.48Å; L1728-F1757 HydrophobicContact CD1-CE1 3.88Å; L1728-F1757 HydrophobicContact CD1-CZ 4.31Å; L1728-F1757 HydrophobicContact CD2-CE1 3.69Å; L1728-F1757 HydrophobicContact CD2-CZ 4.15Å; L1728-F1757 HydrophobicContact CG-CE1 4.46Å |
| 1729 | H | 93.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 5% | 0.046 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -34 | -179.3 | -77.5 | -169.3 | 0 | 0 | 0 | 112.4 | L1725 G1732 I1733 R1796 D1799 | L1725-H1729 VanDerWaalsContact CD1-NE2 3.33Å; L1725-H1729 WeakPolarHBondContact CD1-NE2 3.35Å; L1725-H1729 WeakPolarHBondContact O-CB 3.4Å; L1725-H1729 PolarHBondContact O-N 3.18Å; H1729-G1732 PolarHBondContact O-N 3.45Å; H1729-I1733 PolarHBondContact CD2-O 3.48Å; H1729-R1796 HydrophobicContact CB-CG 4.36Å; H1729-R1796 PolarHBondContact CE1-O 3.41Å; H1729-R1796 VanDerWaalsContact CE1-O 3.3Å; H1729-R1796 PolarHBondContact O-NE 3.43Å; H1729-R1796 PolarHBondContact O-NH2 3.32Å; H1729-D1799 IonicContact CD2-OD2 3.78Å; H1729-D1799 IonicContact CE1-OD2 3.37Å; H1729-D1799 IonicContact NE2-OD2 2.83Å; H1729-D1799 PolarHBondContact NE2-OD2 2.87Å |
| 1730 | K | 91.5 | Very high | 93.5 | Very high | 171 Ų | 171 | 24.9 Ų | 24.9 | 74% | 0.743 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -65.9 | -38.6 | 172.4 | -179.5 | -180 | 176.3 | -177.4 | 0 | 112.5 | A1726 Y1727 L1728 G1732 | A1726-K1730 VanDerWaalsContact O-CB 3.24Å; A1726-K1730 WeakPolarHBondContact O-CB 3.29Å; A1726-K1730 PolarHBondContact O-N 3.13Å; Y1727-K1730 PolarHBondContact O-N 3.26Å; L1728-K1730 VanDerWaalsContact C-N 3.26Å; L1728-K1730 PolarHBondContact O-N 3.05Å; K1730-G1732 PolarHBondContact O-N 3.22Å |
| 1731 | H | 89.2 | Confident | 93.2 | Very high | 91 Ų | 91 | 25.6 Ų | 25.6 | 42% | 0.421 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 13.2 | 174.2 | -66.4 | 90 | 0 | 0 | 0 | 113.2 | Y1727 L1728 I1733 | Y1727-H1731 AromaticContact CD1-ND1 3.93Å; Y1727-H1731 AromaticContact CD2-CE1 3.74Å; Y1727-H1731 AromaticContact CE1-CE1 3.93Å; Y1727-H1731 AromaticContact CE1-ND1 3.79Å; Y1727-H1731 AromaticContact CE2-CE1 3.33Å; Y1727-H1731 WeakPolarHBondContact CE2-CE1 3.4Å; Y1727-H1731 AromaticContact CE2-ND1 3.93Å; Y1727-H1731 AromaticContact CZ-CE1 3.42Å; Y1727-H1731 VanDerWaalsContact CZ-CE1 3.42Å; Y1727-H1731 AromaticContact CZ-ND1 3.78Å; Y1727-H1731 PolarHBondContact O-N 3.22Å; Y1727-H1731 PolarHBondContact O-ND1 3.2Å; L1728-H1731 CarbonylContact O-C 3.53Å; L1728-H1731 WeakPolarHBondContact O-CA 3.24Å; L1728-H1731 PolarHBondContact O-N 3.42Å; H1731-I1733 VanDerWaalsContact C-N 3.26Å; H1731-I1733 HydrophobicContact CB-CD1 4.07Å; H1731-I1733 PolarHBondContact O-N 3.43Å |
| 1732 | G | 85.6 | Confident | 93.1 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 12% | 0.124 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 17.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | L1728 H1729 K1730 R1762 L1763 | L1728-G1732 PolarHBondContact O-N 2.98Å; H1729-G1732 PolarHBondContact O-N 3.45Å; K1730-G1732 PolarHBondContact O-N 3.22Å; G1732-R1762 CarbonylContact O-C 3.56Å; G1732-R1762 WeakPolarHBondContact O-CA 3.25Å; G1732-L1763 WeakPolarHBondContact O-CB 3.14Å; G1732-L1763 PolarHBondContact O-N 2.82Å |
| 1733 | I | 87.5 | Confident | 93 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.8 | -176.1 | -67.9 | 155.4 | 0 | 0 | 0 | 110.1 | I1663 L1667 L1728 H1729 H1731 A1761 R1762 | I1663-I1733 HydrophobicContact CG2-CD1 3.92Å; I1663-I1733 HydrophobicContact CG2-CG1 4.48Å; L1667-I1733 HydrophobicContact CD2-CD1 3.77Å; L1728-I1733 CarbonylContact C-O 3.48Å; L1728-I1733 HydrophobicContact CB-CB 4.37Å; L1728-I1733 HydrophobicContact CB-CG2 4.47Å; L1728-I1733 HydrophobicContact CD2-CG2 4.32Å; L1728-I1733 PolarHBondContact O-N 3.21Å; H1729-I1733 PolarHBondContact CD2-O 3.48Å; H1731-I1733 VanDerWaalsContact C-N 3.26Å; H1731-I1733 HydrophobicContact CB-CD1 4.07Å; H1731-I1733 PolarHBondContact O-N 3.43Å; I1733-A1761 WeakPolarHBondContact CA-O 3.5Å; I1733-R1762 HydrophobicContact CG1-CG 4.23Å |
| 1734 | L | 90.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 141.3 | 164.7 | -57.5 | -173.9 | 0 | 0 | 0 | 109.6 | R1736 S1760 A1761 L1763 F1773 R1796 D1799 | L1734-R1736 HydrophobicContact CB-CG 3.78Å; L1734-S1760 WeakPolarHBondContact O-CA 3.2Å; L1734-S1760 VanDerWaalsContact O-CB 3.23Å; L1734-S1760 WeakPolarHBondContact O-CB 3.26Å; L1734-S1760 PolarHBondContact O-OG 3.33Å; L1734-A1761 PolarHBondContact N-O 3.01Å; L1734-A1761 PolarHBondContact O-N 3.3Å; L1734-A1761 VanDerWaalsContact O-N 3.09Å; L1734-L1763 HydrophobicContact CD1-CD2 4.06Å; L1734-L1763 HydrophobicContact CD2-CD1 4.06Å; L1734-L1763 HydrophobicContact CD2-CD2 4.29Å; L1734-L1763 HydrophobicContact CD2-CG 4.26Å; L1734-L1763 HydrophobicContact CG-CD1 4.44Å; L1734-L1763 HydrophobicContact CG-CD2 4.11Å; L1734-L1763 HydrophobicContact CG-CG 4.11Å; L1734-F1773 HydrophobicContact CD1-CD2 3.72Å; L1734-F1773 HydrophobicContact CD1-CE2 3.57Å; L1734-F1773 HydrophobicContact CG-CE2 4.41Å; L1734-R1796 HydrophobicContact CD2-CB 4.25Å; L1734-R1796 HydrophobicContact CD2-CG 3.72Å; L1734-D1799 WeakPolarHBondContact CA-OD2 3.23Å |
| 1735 | H | 91.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -85.5 | -43.4 | 178.9 | -165.4 | -91.1 | 0 | 0 | 0 | 112.5 | L1728 D1737 L1738 I1754 S1755 F1757 S1760 D1799 | L1728-H1735 HydrophobicContact CD1-CB 4.29Å; H1735-D1737 PolarHBondContact CE1-O 3.49Å; H1735-D1737 PolarHBondContact ND1-O 3.18Å; H1735-D1737 PolarHBondContact O-N 3.37Å; H1735-L1738 HydrophobicContact CB-CD1 4.41Å; H1735-L1738 HydrophobicContact CB-CD2 4.06Å; H1735-L1738 HydrophobicContact CB-CG 3.91Å; H1735-L1738 WeakPolarHBondContact ND1-CD2 3.43Å; H1735-I1754 VanDerWaalsContact CD2-CG2 3.48Å; H1735-I1754 WeakPolarHBondContact CD2-CG2 3.47Å; H1735-I1754 VanDerWaalsContact NE2-CG2 3.34Å; H1735-I1754 WeakPolarHBondContact NE2-CG2 3.24Å; H1735-S1755 PolarHBondContact CE1-O 2.83Å; H1735-S1755 VanDerWaalsContact CE1-O 3.31Å; H1735-S1755 PolarHBondContact NE2-O 3.3Å; H1735-S1755 VanDerWaalsContact NE2-O 3.15Å; H1735-F1757 AromaticContact CD2-CE1 3.8Å; H1735-S1760 PolarHBondContact O-OG 3.27Å; H1735-D1799 PolarHBondContact N-OD1 3.37Å; H1735-D1799 PolarHBondContact N-OD2 3.03Å | ||
| 1736 | R | 89.9 | Confident | 92.4 | Very high | 29 Ų | 29 | 25.8 Ų | 25.8 | 11% | 0.109 | 13% | 0.129 | C | C | . | . | trans | 64.9 | -12.9 | 176 | -50.2 | -164.9 | -63.2 | 176.6 | 0.6 | 117.3 | L1734 A1759 Y1794 D1799 | L1734-R1736 HydrophobicContact CB-CG 3.78Å; R1736-A1759 VanDerWaalsContact CZ-O 3.3Å; R1736-A1759 PolarHBondContact NE-O 3.29Å; R1736-A1759 PolarHBondContact NH2-O 3.26Å; R1736-Y1794 PolarHBondContact NH1-OH 2.95Å; R1736-D1799 PolarHBondContact N-OD1 2.95Å | ||
| 1737 | D | 90.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 30 Ų | 30 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | trans | -134.1 | 56.4 | 172.4 | -166.7 | 42.3 | 0 | 0 | 0 | 112.2 | H1735 K1739 N1742 A1759 G1779 T1780 | H1735-D1737 PolarHBondContact CE1-O 3.49Å; H1735-D1737 PolarHBondContact ND1-O 3.18Å; H1735-D1737 PolarHBondContact O-N 3.37Å; D1737-K1739 IonicContact OD1-NZ 2.74Å; D1737-K1739 IonicContact OD2-NZ 2.64Å; D1737-K1739 PolarHBondContact OD2-NZ 3.27Å; D1737-N1742 PolarHBondContact O-ND2 3.01Å; D1737-N1742 PolarHBondContact OD2-ND2 3.26Å; D1737-N1742 VanDerWaalsContact OD2-ND2 3.1Å; D1737-A1759 HydrophobicContact CB-CB 3.89Å; D1737-G1779 WeakPolarHBondContact OD1-CA 3.37Å; D1737-T1780 WeakPolarHBondContact OD1-CB 3.44Å; D1737-T1780 PolarHBondContact OD1-N 3.25Å; D1737-T1780 PolarHBondContact OD1-OG1 3.25Å | ||
| 1738 | L | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -79.7 | 122.1 | 172 | -69.5 | 172.7 | 0 | 0 | 0 | 110.7 | L1721 L1725 H1735 I1754 D1799 V1803 | L1721-L1738 HydrophobicContact CD1-CD2 4.27Å; L1725-L1738 HydrophobicContact CD1-CD1 4.01Å; L1725-L1738 HydrophobicContact CD2-CD1 3.99Å; H1735-L1738 HydrophobicContact CB-CD1 4.41Å; H1735-L1738 HydrophobicContact CB-CD2 4.06Å; H1735-L1738 HydrophobicContact CB-CG 3.91Å; H1735-L1738 WeakPolarHBondContact ND1-CD2 3.43Å; L1738-I1754 HydrophobicContact CD2-CD1 4.35Å; L1738-I1754 HydrophobicContact CD2-CG2 3.71Å; L1738-D1799 HydrophobicContact CD1-CB 3.89Å; L1738-V1803 HydrophobicContact CD1-CG2 4.08Å | ||
| 1739 | K | 94.5 | Very high | 90.7 | Very high | 38 Ų | 38 | 31.3 Ų | 31.3 | 17% | 0.165 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -159.7 | 160.4 | 179.1 | 67.7 | -154.6 | -172.8 | -160 | 0 | 109.2 | D1737 A1741 N1742 T1780 F1783 C1806 | D1737-K1739 IonicContact OD1-NZ 2.74Å; D1737-K1739 IonicContact OD2-NZ 2.64Å; D1737-K1739 PolarHBondContact OD2-NZ 3.27Å; K1739-A1741 HydrophobicContact CG-CB 4.14Å; K1739-A1741 PolarHBondContact O-N 3.13Å; K1739-N1742 WeakPolarHBondContact CE-ND2 3.07Å; K1739-N1742 VanDerWaalsContact CE-OD1 3.26Å; K1739-N1742 WeakPolarHBondContact CE-OD1 3.03Å; K1739-N1742 HydrophobicContact CG-CB 4.19Å; K1739-N1742 PolarHBondContact O-N 2.97Å; K1739-T1780 HydrophobicContact CD-CG2 4.32Å; K1739-T1780 WeakPolarHBondContact CD-OG1 3.23Å; K1739-T1780 PolarHBondContact NZ-OG1 2.83Å; K1739-F1783 HydrophobicContact CB-CD1 3.85Å; K1739-F1783 HydrophobicContact CB-CD2 3.89Å; K1739-F1783 HydrophobicContact CB-CE1 3.78Å; K1739-F1783 HydrophobicContact CB-CE2 3.82Å; K1739-F1783 HydrophobicContact CB-CG 3.93Å; K1739-F1783 HydrophobicContact CB-CZ 3.78Å; K1739-C1806 VanDerWaalsContact CA-SG 3.58Å |
| 1740 | G | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -55.7 | -26.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1698 I1699 T1700 N1742 L1743 E1809 | S1698-G1740 WeakPolarHBondContact CB-O 3.47Å; I1699-G1740 WeakPolarHBondContact CB-O 3.4Å; I1699-G1740 PolarHBondContact N-O 3.01Å; I1699-G1740 VanDerWaalsContact N-O 3.14Å; T1700-G1740 PolarHBondContact N-O 2.96Å; T1700-G1740 VanDerWaalsContact N-O 3.16Å; T1700-G1740 VanDerWaalsContact OG1-CA 3.32Å; T1700-G1740 WeakPolarHBondContact OG1-CA 3.44Å; G1740-N1742 VanDerWaalsContact C-N 3.31Å; G1740-N1742 PolarHBondContact O-N 3.34Å; G1740-L1743 PolarHBondContact O-N 3.31Å; G1740-E1809 VanDerWaalsContact CA-OE2 3.28Å; G1740-E1809 WeakPolarHBondContact CA-OE2 3.34Å; G1740-E1809 PolarHBondContact N-OE2 3.15Å |
| 1741 | A | 91.7 | Very high | 90.2 | Very high | 41 Ų | 41 | 28.4 Ų | 28.4 | 34% | 0.339 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -71.3 | -26.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1698 T1700 K1739 | S1698-A1741 VanDerWaalsContact CB-O 3.31Å; S1698-A1741 WeakPolarHBondContact CB-O 3.14Å; T1700-A1741 PolarHBondContact OG1-N 3.02Å; K1739-A1741 HydrophobicContact CG-CB 4.14Å; K1739-A1741 PolarHBondContact O-N 3.13Å |
| 1742 | N | 94.7 | Very high | 90.5 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -96.5 | 9.5 | -178.9 | -69.3 | 5.1 | 0 | 0 | 0 | 112.4 | D1737 K1739 G1740 S1755 | D1737-N1742 PolarHBondContact O-ND2 3.01Å; D1737-N1742 PolarHBondContact OD2-ND2 3.26Å; D1737-N1742 VanDerWaalsContact OD2-ND2 3.1Å; K1739-N1742 WeakPolarHBondContact CE-ND2 3.07Å; K1739-N1742 VanDerWaalsContact CE-OD1 3.26Å; K1739-N1742 WeakPolarHBondContact CE-OD1 3.03Å; K1739-N1742 HydrophobicContact CG-CB 4.19Å; K1739-N1742 PolarHBondContact O-N 2.97Å; G1740-N1742 VanDerWaalsContact C-N 3.31Å; G1740-N1742 PolarHBondContact O-N 3.34Å; N1742-S1755 VanDerWaalsContact C-OG 3.23Å; N1742-S1755 WeakPolarHBondContact CA-OG 3.38Å; N1742-S1755 PolarHBondContact O-N 2.97Å; N1742-S1755 PolarHBondContact O-OG 3.39Å |
| 1743 | L | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 94 | 174.1 | -56.6 | -178.2 | 0 | 0 | 0 | 108.6 | S1698 I1699 L1721 G1740 I1754 C1806 | S1698-L1743 CarbonylContact C-O 3.54Å; S1698-L1743 VanDerWaalsContact CA-O 3.27Å; S1698-L1743 WeakPolarHBondContact CA-O 3.41Å; I1699-L1743 HydrophobicContact CB-CB 4.19Å; I1699-L1743 HydrophobicContact CG1-CB 3.72Å; I1699-L1743 HydrophobicContact CG1-CD1 4.34Å; I1699-L1743 PolarHBondContact N-O 3.35Å; L1721-L1743 HydrophobicContact CD1-CD1 4.23Å; L1721-L1743 HydrophobicContact CD1-CD2 3.71Å; L1721-L1743 HydrophobicContact CD2-CD1 4.01Å; G1740-L1743 PolarHBondContact O-N 3.31Å; L1743-I1754 HydrophobicContact CD2-CB 4.48Å; L1743-I1754 HydrophobicContact CD2-CG1 3.94Å; L1743-C1806 HydrophobicContact CD1-CB 4.42Å |
| 1744 | L | 95.7 | Very high | 91.4 | Very high | 40 Ų | 40 | 24.1 Ų | 24.1 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 153.9 | -176.2 | -55.7 | -171.3 | 0 | 0 | 0 | 112.2 | L1673 M1694 G1697 I1752 K1753 | L1673-L1744 HydrophobicContact CD1-CD1 4.41Å; L1673-L1744 HydrophobicContact CD2-CD1 3.77Å; M1694-L1744 HydrophobicContact CB-CB 3.73Å; M1694-L1744 HydrophobicContact CB-CD1 4.05Å; M1694-L1744 HydrophobicContact CE-CB 4.16Å; M1694-L1744 HydrophobicContact CG-CB 3.81Å; M1694-L1744 HydrophobicContact CG-CD1 4.04Å; G1697-L1744 CarbonylContact O-C 3.47Å; G1697-L1744 WeakPolarHBondContact O-CA 3.47Å; L1744-I1752 CarbonylContact O-C 3.59Å; L1744-I1752 VanDerWaalsContact O-CA 3.25Å; L1744-I1752 WeakPolarHBondContact O-CA 3.44Å; L1744-K1753 PolarHBondContact N-O 2.9Å; L1744-K1753 PolarHBondContact O-N 2.95Å |
| 1745 | I | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.7 | -170.6 | -61.3 | 171.6 | 0 | 0 | 0 | 111.1 | M1694 G1696 G1697 I1699 L1702 V1751 I1752 | M1694-I1745 CarbonylContact C-O 3.34Å; M1694-I1745 VanDerWaalsContact CE-C 3.41Å; G1696-I1745 VanDerWaalsContact CA-O 3.26Å; G1696-I1745 WeakPolarHBondContact CA-O 3.34Å; G1696-I1745 PolarHBondContact N-O 3.22Å; G1697-I1745 PolarHBondContact O-N 3.09Å; I1699-I1745 HydrophobicContact CD1-CD1 3.71Å; I1699-I1745 HydrophobicContact CD1-CG1 4.42Å; I1699-I1745 HydrophobicContact CG1-CD1 3.99Å; I1699-I1745 HydrophobicContact CG1-CG1 4.44Å; L1702-I1745 HydrophobicContact CD1-CD1 3.3Å; L1702-I1745 HydrophobicContact CG-CD1 3.7Å; I1745-V1751 WeakPolarHBondContact CA-O 3.27Å; I1745-I1752 HydrophobicContact CD1-CG2 4.39Å; I1745-I1752 HydrophobicContact CG1-CG2 3.76Å |
| 1746 | D | 88.8 | Confident | 91.3 | Very high | 26 Ų | 26 | 27.6 Ų | 27.6 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | trans | -77.2 | 177.2 | -176.8 | 84.5 | -59.6 | 0 | 0 | 0 | 113.2 | M1694 T1748 G1749 T1750 V1751 | M1694-D1746 HydrophobicContact CE-CB 4.16Å; D1746-T1748 VanDerWaalsContact C-N 3.26Å; D1746-T1748 PolarHBondContact O-N 3.29Å; D1746-T1748 PolarHBondContact OD1-OG1 2.84Å; D1746-T1748 VanDerWaalsContact OD2-CB 3.25Å; D1746-T1748 WeakPolarHBondContact OD2-CB 3.12Å; D1746-T1748 VanDerWaalsContact OD2-CG2 3.3Å; D1746-T1748 WeakPolarHBondContact OD2-CG2 3.1Å; D1746-T1748 PolarHBondContact OD2-N 3.14Å; D1746-T1748 PolarHBondContact OD2-OG1 3.49Å; D1746-G1749 PolarHBondContact O-N 3.01Å; D1746-G1749 VanDerWaalsContact O-N 3.12Å; D1746-G1749 PolarHBondContact OD1-N 2.77Å; D1746-T1750 PolarHBondContact OD1-N 3.47Å; D1746-T1750 VanDerWaalsContact OD1-N 3.07Å; D1746-V1751 HydrophobicContact CB-CB 4.13Å; D1746-V1751 PolarHBondContact N-O 2.98Å; D1746-V1751 VanDerWaalsContact N-O 3.13Å; D1746-V1751 PolarHBondContact OD1-N 3.36Å | ||
| 1747 | S | 82 | Confident | 90.9 | Very high | 98 Ų | 98 | 26.3 Ų | 26.3 | 69% | 0.685 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.1 | 177.6 | 58.4 | 0 | 0 | 0 | 0 | 115.4 | G1749 | S1747-G1749 VanDerWaalsContact C-N 3.34Š|
| 1748 | T | 84 | Confident | 89.6 | Confident | 44 Ų | 44 | 26.8 Ų | 26.8 | 27% | 0.27 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.8 | 175.9 | 70.7 | 0 | 0 | 0 | 0 | 112.9 | L1516 D1746 T1750 | L1516-T1748 HydrophobicContact CD2-CG2 4.1Å; D1746-T1748 VanDerWaalsContact C-N 3.26Å; D1746-T1748 PolarHBondContact O-N 3.29Å; D1746-T1748 PolarHBondContact OD1-OG1 2.84Å; D1746-T1748 VanDerWaalsContact OD2-CB 3.25Å; D1746-T1748 WeakPolarHBondContact OD2-CB 3.12Å; D1746-T1748 VanDerWaalsContact OD2-CG2 3.3Å; D1746-T1748 WeakPolarHBondContact OD2-CG2 3.1Å; D1746-T1748 PolarHBondContact OD2-N 3.14Å; D1746-T1748 PolarHBondContact OD2-OG1 3.49Å; T1748-T1750 PolarHBondContact O-N 3.32Å; T1748-T1750 PolarHBondContact OG1-N 3.1Å; T1748-T1750 PolarHBondContact OG1-OG1 3.1Å |
| 1749 | G | 83.5 | Confident | 87.8 | Confident | 28 Ų | 28 | 27.7 Ų | 27.7 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 74 | 3.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1717 D1746 S1747 | Y1717-G1749 PolarHBondContact OH-O 3.4Å; D1746-G1749 PolarHBondContact O-N 3.01Å; D1746-G1749 VanDerWaalsContact O-N 3.12Å; D1746-G1749 PolarHBondContact OD1-N 2.77Å; S1747-G1749 VanDerWaalsContact C-N 3.34Å |
| 1750 | T | 85.6 | Confident | 86.4 | Confident | 86 Ų | 86 | 26.7 Ų | 26.7 | 53% | 0.528 | 18% | 0.178 | S | C | . | . | trans | -104.4 | -26.9 | -171.4 | 72 | 0 | 0 | 0 | 0 | 113.7 | Q1720 D1746 T1748 | Q1720-T1750 PolarHBondContact NE2-O 2.81Å; D1746-T1750 PolarHBondContact OD1-N 3.47Å; D1746-T1750 VanDerWaalsContact OD1-N 3.07Å; T1748-T1750 PolarHBondContact O-N 3.32Å; T1748-T1750 PolarHBondContact OG1-N 3.1Å; T1748-T1750 PolarHBondContact OG1-OG1 3.1Å | ||
| 1751 | V | 90.4 | Very high | 84.9 | Confident | 33 Ų | 33 | 27.3 Ų | 27.3 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | trans | -104.1 | 123 | -176.7 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | I1745 D1746 K1753 | I1745-V1751 WeakPolarHBondContact CA-O 3.27Å; D1746-V1751 HydrophobicContact CB-CB 4.13Å; D1746-V1751 PolarHBondContact N-O 2.98Å; D1746-V1751 VanDerWaalsContact N-O 3.13Å; D1746-V1751 PolarHBondContact OD1-N 3.36Å; V1751-K1753 HydrophobicContact CG1-CG 4.49Å | ||
| 1752 | I | 94.8 | Very high | 83.4 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 146.7 | 167.8 | 58.2 | 156.3 | 0 | 0 | 0 | 111.6 | N1671 I1699 Y1717 Q1720 L1721 L1744 I1745 | N1671-I1752 WeakPolarHBondContact CA-O 3.27Å; N1671-I1752 PolarHBondContact ND2-O 3.39Å; I1699-I1752 HydrophobicContact CD1-CG2 3.92Å; I1699-I1752 HydrophobicContact CG1-CG2 4.13Å; Y1717-I1752 HydrophobicContact CD1-CG1 4.39Å; Y1717-I1752 HydrophobicContact CD1-CG2 3.47Å; Y1717-I1752 VanDerWaalsContact CD1-CG2 3.47Å; Y1717-I1752 HydrophobicContact CE1-CG2 3.82Å; Y1717-I1752 HydrophobicContact CG-CG2 4.05Å; Y1717-I1752 VanDerWaalsContact O-CD1 3.31Å; Y1717-I1752 WeakPolarHBondContact O-CD1 3.38Å; Q1720-I1752 HydrophobicContact CB-CD1 3.96Å; Q1720-I1752 HydrophobicContact CB-CG1 3.49Å; Q1720-I1752 VanDerWaalsContact CB-CG1 3.49Å; Q1720-I1752 HydrophobicContact CG-CG1 4.46Å; L1721-I1752 HydrophobicContact CB-CD1 3.82Å; L1744-I1752 CarbonylContact O-C 3.59Å; L1744-I1752 VanDerWaalsContact O-CA 3.25Å; L1744-I1752 WeakPolarHBondContact O-CA 3.44Å; I1745-I1752 HydrophobicContact CD1-CG2 4.39Å; I1745-I1752 HydrophobicContact CG1-CG2 3.76Å |
| 1753 | K | 96.2 | Very high | 81.5 | Confident | 14 Ų | 14 | 30 Ų | 30 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 131.2 | 173.3 | -61.6 | -173 | 172.3 | -175.1 | 0 | 111.3 | P1670 N1671 L1673 E1692 M1694 L1744 V1751 | P1670-K1753 WeakPolarHBondContact O-CE 2.73Å; N1671-K1753 WeakPolarHBondContact O-CA 2.89Å; L1673-K1753 HydrophobicContact CB-CB 4.34Å; L1673-K1753 HydrophobicContact CD1-CD 4.46Å; E1692-K1753 IonicContact OE1-NZ 3.35Å; E1692-K1753 PolarHBondContact OE1-NZ 2.83Å; E1692-K1753 IonicContact OE2-NZ 3.04Å; E1692-K1753 PolarHBondContact OE2-NZ 2.85Å; M1694-K1753 HydrophobicContact CE-CB 3.9Å; M1694-K1753 HydrophobicContact CE-CD 3.75Å; M1694-K1753 HydrophobicContact CE-CG 3.72Å; M1694-K1753 HydrophobicContact SD-CD 3.89Å; L1744-K1753 PolarHBondContact N-O 2.9Å; L1744-K1753 PolarHBondContact O-N 2.95Å; V1751-K1753 HydrophobicContact CG1-CG 4.49Å |
| 1754 | I | 96.8 | Very high | 78.9 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136.9 | 174.7 | -54.3 | 174.6 | 0 | 0 | 0 | 109.2 | N1671 I1672 L1673 L1721 L1728 H1735 L1738 L1743 | N1671-I1754 PolarHBondContact O-N 3.36Å; I1672-I1754 HydrophobicContact CD1-CB 3.93Å; I1672-I1754 HydrophobicContact CD1-CD1 3.98Å; I1672-I1754 HydrophobicContact CD1-CG1 4.26Å; L1673-I1754 VanDerWaalsContact CB-O 3.28Å; L1673-I1754 WeakPolarHBondContact CB-O 3.21Å; L1673-I1754 PolarHBondContact N-O 3.1Å; L1721-I1754 HydrophobicContact CD1-CD1 3.99Å; L1721-I1754 HydrophobicContact CD1-CG1 4.18Å; L1728-I1754 HydrophobicContact CD1-CD1 4.39Å; L1728-I1754 HydrophobicContact CD1-CG2 4.48Å; H1735-I1754 VanDerWaalsContact CD2-CG2 3.48Å; H1735-I1754 WeakPolarHBondContact CD2-CG2 3.47Å; H1735-I1754 VanDerWaalsContact NE2-CG2 3.34Å; H1735-I1754 WeakPolarHBondContact NE2-CG2 3.24Å; L1738-I1754 HydrophobicContact CD2-CD1 4.35Å; L1738-I1754 HydrophobicContact CD2-CG2 3.71Å; L1743-I1754 HydrophobicContact CD2-CB 4.48Å; L1743-I1754 HydrophobicContact CD2-CG1 3.94Å |
| 1755 | S | 92.3 | Very high | 76.2 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | trans | -141.4 | 168.1 | -170.9 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | H1735 N1742 | H1735-S1755 PolarHBondContact CE1-O 2.83Å; H1735-S1755 VanDerWaalsContact CE1-O 3.31Å; H1735-S1755 PolarHBondContact NE2-O 3.3Å; H1735-S1755 VanDerWaalsContact NE2-O 3.15Å; N1742-S1755 VanDerWaalsContact C-OG 3.23Å; N1742-S1755 WeakPolarHBondContact CA-OG 3.38Å; N1742-S1755 PolarHBondContact O-N 2.97Å; N1742-S1755 PolarHBondContact O-OG 3.39Å | ||
| 1756 | D | 85.1 | Confident | 73.6 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 34% | 0.342 | 27% | 0.268 | S | S | . | . | trans | 66.2 | 71.2 | 179.6 | -156.8 | 29.2 | 0 | 0 | 0 | 115.2 | K1586 G1758 | K1586-D1756 IonicContact NZ-OD1 3.68Å; K1586-D1756 PolarHBondContact NZ-OD1 3.39Å; D1756-G1758 PolarHBondContact O-N 2.89Å | ||
| 1757 | F | 82.1 | Confident | 71.1 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -76.7 | 3.7 | -177.2 | -70.6 | -89.9 | 0 | 0 | 0 | 114.3 | E1660 I1663 M1664 L1667 I1672 L1728 H1735 A1759 S1760 | E1660-F1757 HydrophobicContact CG-CB 4.05Å; I1663-F1757 HydrophobicContact CG2-CD1 4.36Å; M1664-F1757 HydrophobicContact CE-CD2 3.89Å; M1664-F1757 HydrophobicContact CE-CE2 4.43Å; M1664-F1757 HydrophobicContact CG-CB 3.94Å; M1664-F1757 HydrophobicContact CG-CD2 3.8Å; M1664-F1757 HydrophobicContact CG-CG 3.96Å; M1664-F1757 HydrophobicContact SD-CB 4.24Å; M1664-F1757 HydrophobicContact SD-CD2 4.02Å; M1664-F1757 HydrophobicContact SD-CG 4.48Å; L1667-F1757 HydrophobicContact CD1-CD1 4.15Å; L1667-F1757 HydrophobicContact CD1-CE1 3.7Å; L1667-F1757 HydrophobicContact CD1-CE2 4.46Å; L1667-F1757 HydrophobicContact CD1-CZ 3.89Å; I1672-F1757 HydrophobicContact CD1-CZ 4.45Å; I1672-F1757 HydrophobicContact CG2-CE2 4.1Å; I1672-F1757 HydrophobicContact CG2-CZ 3.76Å; L1728-F1757 HydrophobicContact CD1-CE1 3.88Å; L1728-F1757 HydrophobicContact CD1-CZ 4.31Å; L1728-F1757 HydrophobicContact CD2-CE1 3.69Å; L1728-F1757 HydrophobicContact CD2-CZ 4.15Å; L1728-F1757 HydrophobicContact CG-CE1 4.46Å; H1735-F1757 AromaticContact CD2-CE1 3.8Å; F1757-A1759 PolarHBondContact O-N 3.09Å; F1757-A1759 VanDerWaalsContact O-N 3.12Å; F1757-S1760 WeakPolarHBondContact CD1-OG 3.43Å; F1757-S1760 VanDerWaalsContact O-CB 3.24Å; F1757-S1760 WeakPolarHBondContact O-CB 3.4Å; F1757-S1760 PolarHBondContact O-N 2.96Å; F1757-S1760 PolarHBondContact O-OG 3.06Å |
| 1758 | G | 63.9 | Low | 69.1 | Low | 25 Ų | 25 | 47.4 Ų | 47.4 | 26% | 0.258 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -62 | -18.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | E1660 D1756 | E1660-G1758 PolarHBondContact OE1-N 2.95Å; D1756-G1758 PolarHBondContact O-N 2.89Å |
| 1759 | A | 58.5 | Low | 66.6 | Low | 19 Ų | 19 | 49.4 Ų | 49.4 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -95.6 | -11.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1736 D1737 F1757 I1778 | R1736-A1759 VanDerWaalsContact CZ-O 3.3Å; R1736-A1759 PolarHBondContact NE-O 3.29Å; R1736-A1759 PolarHBondContact NH2-O 3.26Å; D1737-A1759 HydrophobicContact CB-CB 3.89Å; F1757-A1759 PolarHBondContact O-N 3.09Å; F1757-A1759 VanDerWaalsContact O-N 3.12Å; A1759-I1778 HydrophobicContact CB-CG2 4.07Å |
| 1760 | S | 63.8 | Low | 64.4 | Low | 16 Ų | 16 | 51.6 Ų | 51.6 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | trans | -71 | 155.8 | -170.7 | -65.7 | 0 | 0 | 0 | 0 | 113 | L1734 H1735 F1757 | L1734-S1760 WeakPolarHBondContact O-CA 3.2Å; L1734-S1760 VanDerWaalsContact O-CB 3.23Å; L1734-S1760 WeakPolarHBondContact O-CB 3.26Å; L1734-S1760 PolarHBondContact O-OG 3.33Å; H1735-S1760 PolarHBondContact O-OG 3.27Å; F1757-S1760 WeakPolarHBondContact CD1-OG 3.43Å; F1757-S1760 VanDerWaalsContact O-CB 3.24Å; F1757-S1760 WeakPolarHBondContact O-CB 3.4Å; F1757-S1760 PolarHBondContact O-N 2.96Å; F1757-S1760 PolarHBondContact O-OG 3.06Å | ||
| 1761 | A | 63.2 | Low | 62.2 | Low | 14 Ų | 14 | 49.3 Ų | 49.3 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 150.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1733 L1734 F1773 | I1733-A1761 WeakPolarHBondContact CA-O 3.5Å; L1734-A1761 PolarHBondContact N-O 3.01Å; L1734-A1761 PolarHBondContact O-N 3.3Å; L1734-A1761 VanDerWaalsContact O-N 3.09Å; A1761-F1773 HydrophobicContact CB-CE1 3.75Å; A1761-F1773 HydrophobicContact CB-CE2 4.33Å; A1761-F1773 HydrophobicContact CB-CZ 3.48Å; A1761-F1773 VanDerWaalsContact CB-CZ 3.48Å |
| 1762 | R | 59.1 | Low | 60.1 | Low | 94 Ų | 94 | 50.2 Ų | 50.2 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128.3 | 170.3 | -61.5 | -175.1 | -169.5 | -133.7 | -2.9 | 109.5 | R1662 I1663 Q1666 G1732 I1733 | R1662-R1762 PolarHBondContact O-NH2 3.3Å; I1663-R1762 HydrophobicContact CD1-CG 4.33Å; I1663-R1762 HydrophobicContact CG1-CG 4.37Å; Q1666-R1762 VanDerWaalsContact OE1-CZ 3.27Å; G1732-R1762 CarbonylContact O-C 3.56Å; G1732-R1762 WeakPolarHBondContact O-CA 3.25Å; I1733-R1762 HydrophobicContact CG1-CG 4.23Å |
| 1763 | L | 55.3 | Low | 58 | Low | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | trans | -61.7 | 143.2 | 161 | -65.1 | 164.1 | 0 | 0 | 0 | 108.8 | G1732 L1734 G1765 F1773 R1796 | G1732-L1763 WeakPolarHBondContact O-CB 3.14Å; G1732-L1763 PolarHBondContact O-N 2.82Å; L1734-L1763 HydrophobicContact CD1-CD2 4.06Å; L1734-L1763 HydrophobicContact CD2-CD1 4.06Å; L1734-L1763 HydrophobicContact CD2-CD2 4.29Å; L1734-L1763 HydrophobicContact CD2-CG 4.26Å; L1734-L1763 HydrophobicContact CG-CD1 4.44Å; L1734-L1763 HydrophobicContact CG-CD2 4.11Å; L1734-L1763 HydrophobicContact CG-CG 4.11Å; L1763-G1765 PolarHBondContact O-N 3.47Å; L1763-F1773 HydrophobicContact CD2-CE2 4.03Å; L1763-R1796 HydrophobicContact CD1-CG 4.08Å | ||
| 1764 | S | 41.2 | Very low | 55.2 | Low | 109 Ų | 109 | 56.7 Ų | 56.7 | 76% | 0.762 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -85.8 | 10.8 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | Q1772 | S1764-Q1772 VanDerWaalsContact OG-CD 3.27Å; S1764-Q1772 PolarHBondContact OG-NE2 3.02Å |
| 1765 | G | 39.7 | Very low | 52.3 | Low | 33 Ų | 33 | 58.2 Ų | 58.2 | 34% | 0.34 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -165.8 | 165.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1763 | L1763-G1765 PolarHBondContact O-N 3.47Š|
| 1766 | E | 38.8 | Very low | 50.7 | Low | 181 Ų | 181 | 59.1 Ų | 59.1 | 85% | 0.846 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -69.6 | -32.6 | -176.5 | -60.3 | -169.1 | 142.8 | 0 | 0 | 113 | R1796 | E1766-R1796 VanDerWaalsContact O-CZ 3.25Å; E1766-R1796 PolarHBondContact O-NH1 3.45Å; E1766-R1796 PolarHBondContact O-NH2 2.75Å |
| 1767 | Q | 36 | Very low | 49.3 | Very low | 153 Ų | 153 | 57.3 Ų | 57.3 | 72% | 0.715 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -85.9 | 140.2 | 173.4 | -63.9 | -172.6 | 4.6 | 0 | 0 | 111 | V1769 | Q1767-V1769 PolarHBondContact O-N 2.85Š|
| 1768 | S | 40.5 | Very low | 48.1 | Very low | 54 Ų | 54 | 59.4 Ų | 59.4 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | trans | -80.2 | 73.8 | 175 | 43.3 | 0 | 0 | 0 | 0 | 110.5 | A1770 | S1768-A1770 PolarHBondContact O-N 3.37Š| ||
| 1769 | V | 32.4 | Very low | 47.9 | Very low | 85 Ų | 85 | 59.5 Ų | 59.5 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | trans | -61.1 | 125.8 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | Q1767 G1771 | Q1767-V1769 PolarHBondContact O-N 2.85Å; V1769-G1771 PolarHBondContact O-N 2.66Å | ||
| 1770 | A | 37.7 | Very low | 48.8 | Very low | 74 Ų | 74 | 60.7 Ų | 60.7 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 73.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | S1768 T1793 | S1768-A1770 PolarHBondContact O-N 3.37Å; A1770-T1793 WeakPolarHBondContact O-CB 3.44Å; A1770-T1793 PolarHBondContact O-OG1 2.83Å; A1770-T1793 VanDerWaalsContact O-OG1 3.06Å |
| 1771 | G | 39.6 | Very low | 49.7 | Very low | 39 Ų | 39 | 63.1 Ų | 63.1 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -175.4 | -17.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | V1769 | V1769-G1771 PolarHBondContact O-N 2.66Š|
| 1772 | Q | 46 | Very low | 50.8 | Low | 51 Ų | 51 | 63.3 Ų | 63.3 | 24% | 0.238 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -74.3 | -31.4 | -169.7 | -66.7 | -175.8 | 6 | 0 | 0 | 114.4 | S1764 | S1764-Q1772 VanDerWaalsContact OG-CD 3.27Å; S1764-Q1772 PolarHBondContact OG-NE2 3.02Å |
| 1773 | F | 50.2 | Low | 52.4 | Low | 28 Ų | 28 | 59.5 Ų | 59.5 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -123.2 | 126.5 | 171.3 | -55.9 | -74.9 | 0 | 0 | 0 | 109.2 | L1734 A1761 L1763 T1793 Y1794 | L1734-F1773 HydrophobicContact CD1-CD2 3.72Å; L1734-F1773 HydrophobicContact CD1-CE2 3.57Å; L1734-F1773 HydrophobicContact CG-CE2 4.41Å; A1761-F1773 HydrophobicContact CB-CE1 3.75Å; A1761-F1773 HydrophobicContact CB-CE2 4.33Å; A1761-F1773 HydrophobicContact CB-CZ 3.48Å; A1761-F1773 VanDerWaalsContact CB-CZ 3.48Å; L1763-F1773 HydrophobicContact CD2-CE2 4.03Å; F1773-T1793 CarbonylContact O-C 3.56Å; F1773-T1793 VanDerWaalsContact O-CA 3.29Å; F1773-T1793 WeakPolarHBondContact O-CA 3.22Å; F1773-Y1794 HydrophobicContact CB-CD1 4.04Å; F1773-Y1794 HydrophobicContact CB-CD2 4.27Å; F1773-Y1794 HydrophobicContact CB-CE1 3.7Å; F1773-Y1794 HydrophobicContact CB-CE2 3.97Å; F1773-Y1794 HydrophobicContact CB-CG 4.32Å; F1773-Y1794 HydrophobicContact CG-CE2 4.42Å; F1773-Y1794 PolarHBondContact O-N 3.14Å |
| 1774 | Q | 37.2 | Very low | 54.1 | Low | 125 Ų | 125 | 59.1 Ų | 59.1 | 58% | 0.584 | 36% | 0.355 | S | S | * | . | trans | -137.9 | 143.3 | 179.4 | -166.9 | 177.5 | -1.6 | 0 | 0 | 108.6 | Q1776 G1791 T1793 | Q1774-Q1776 WeakPolarHBondContact O-CG 3.32Å; Q1774-Q1776 PolarHBondContact O-N 2.97Å; Q1774-G1791 WeakPolarHBondContact CG-O 3.46Å; Q1774-T1793 HydrophobicContact CB-CG2 3.98Å; Q1774-T1793 HydrophobicContact CG-CG2 3.81Å | ||
| 1775 | G | 36.7 | Very low | 56.6 | Low | 33 Ų | 33 | 54 Ų | 54 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 65.5 | -3.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | F1599 V1777 G1791 | F1599-G1775 WeakPolarHBondContact CD1-O 3.21Å; G1775-V1777 PolarHBondContact O-N 2.9Å; G1775-G1791 PolarHBondContact N-O 3.14Å |
| 1776 | Q | 56.9 | Low | 59.1 | Low | 26 Ų | 26 | 52.4 Ų | 52.4 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | trans | -83.8 | 90 | -175.2 | -58.1 | -144.4 | -47.5 | 0 | 0 | 112.6 | F1599 S1600 Q1774 I1778 Y1794 | F1599-Q1776 WeakPolarHBondContact O-CG 3.1Å; F1599-Q1776 PolarHBondContact O-NE2 3.33Å; S1600-Q1776 PolarHBondContact OG-NE2 2.84Å; S1600-Q1776 VanDerWaalsContact OG-NE2 3.15Å; Q1774-Q1776 WeakPolarHBondContact O-CG 3.32Å; Q1774-Q1776 PolarHBondContact O-N 2.97Å; Q1776-I1778 HydrophobicContact CB-CD1 4.07Å; Q1776-I1778 HydrophobicContact CB-CG1 4.35Å; Q1776-I1778 PolarHBondContact O-N 3.35Å; Q1776-Y1794 HydrophobicContact CB-CE1 4.06Å; Q1776-Y1794 WeakPolarHBondContact CB-OH 3.32Å; Q1776-Y1794 WeakPolarHBondContact O-CE1 3.42Å; Q1776-Y1794 PolarHBondContact O-OH 2.83Å; Q1776-Y1794 VanDerWaalsContact O-OH 3.07Å | ||
| 1777 | V | 57.2 | Low | 61.6 | Low | 27 Ų | 27 | 43.8 Ų | 43.8 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | trans | -82.4 | 81.4 | 177.7 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | F1599 G1775 F1781 M1784 L1789 M1829 | F1599-V1777 HydrophobicContact CD2-CB 4.32Å; F1599-V1777 WeakPolarHBondContact CD2-O 3.23Å; F1599-V1777 HydrophobicContact CE1-CG2 4.5Å; F1599-V1777 HydrophobicContact CE2-CB 3.86Å; F1599-V1777 WeakPolarHBondContact CE2-O 3.46Å; F1599-V1777 HydrophobicContact CZ-CB 4Å; F1599-V1777 HydrophobicContact CZ-CG2 4.31Å; G1775-V1777 PolarHBondContact O-N 2.9Å; V1777-F1781 HydrophobicContact CG1-CE1 4.04Å; V1777-M1784 HydrophobicContact CG1-CE 3.96Å; V1777-M1784 HydrophobicContact CG1-SD 3.76Å; V1777-L1789 HydrophobicContact CG1-CD2 4.29Å; V1777-M1829 HydrophobicContact CG1-CE 4.45Å | ||
| 1778 | I | 57.3 | Low | 64.1 | Low | 45 Ų | 45 | 36.8 Ų | 36.8 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | trans | -120.3 | 139.8 | -174 | -61.1 | 174.5 | 0 | 0 | 0 | 110.4 | A1759 Q1776 | A1759-I1778 HydrophobicContact CB-CG2 4.07Å; Q1776-I1778 HydrophobicContact CB-CD1 4.07Å; Q1776-I1778 HydrophobicContact CB-CG1 4.35Å; Q1776-I1778 PolarHBondContact O-N 3.35Å | ||
| 1779 | G | 58.5 | Low | 66.3 | Low | 27 Ų | 27 | 35.3 Ų | 35.3 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 111.8 | -166.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1737 M1784 | D1737-G1779 WeakPolarHBondContact OD1-CA 3.37Å; G1779-M1784 VanDerWaalsContact C-CE 3.41Å; G1779-M1784 WeakPolarHBondContact O-CE 3.44Å |
| 1780 | T | 77.1 | Confident | 68.9 | Low | 44 Ų | 44 | 36.1 Ų | 36.1 | 27% | 0.27 | 21% | 0.211 | S | C | . | . | trans | -93.1 | 112.8 | -177.9 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | D1737 K1739 S1782 F1783 M1784 | D1737-T1780 WeakPolarHBondContact OD1-CB 3.44Å; D1737-T1780 PolarHBondContact OD1-N 3.25Å; D1737-T1780 PolarHBondContact OD1-OG1 3.25Å; K1739-T1780 HydrophobicContact CD-CG2 4.32Å; K1739-T1780 WeakPolarHBondContact CD-OG1 3.23Å; K1739-T1780 PolarHBondContact NZ-OG1 2.83Å; T1780-S1782 VanDerWaalsContact C-N 3.28Å; T1780-S1782 PolarHBondContact O-N 3.01Å; T1780-F1783 HydrophobicContact CG2-CD2 3.89Å; T1780-F1783 HydrophobicContact CG2-CE2 4.32Å; T1780-F1783 PolarHBondContact O-N 2.75Å; T1780-M1784 PolarHBondContact O-N 3.26Å | ||
| 1781 | F | 83.1 | Confident | 70.9 | Confident | 67 Ų | 67 | 33.5 Ų | 33.5 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -36.6 | -167.4 | -60.4 | -62 | 0 | 0 | 0 | 116.9 | V1777 F1783 M1784 L1789 M1829 I1832 | V1777-F1781 HydrophobicContact CG1-CE1 4.04Å; F1781-F1783 VanDerWaalsContact C-N 3.27Å; F1781-F1783 PolarHBondContact O-N 3.5Å; F1781-M1784 HydrophobicContact CD1-CE 3.36Å; F1781-M1784 HydrophobicContact CD1-SD 3.72Å; F1781-M1784 HydrophobicContact CE1-CE 3.66Å; F1781-M1784 HydrophobicContact CE1-SD 4.34Å; F1781-M1784 HydrophobicContact CG-CE 4.18Å; F1781-M1784 PolarHBondContact O-N 3.23Å; F1781-L1789 HydrophobicContact CD1-CD2 4.23Å; F1781-M1829 HydrophobicContact CB-CG 3.86Å; F1781-M1829 HydrophobicContact CB-SD 4.29Å; F1781-M1829 HydrophobicContact CD1-CE 3.52Å; F1781-M1829 HydrophobicContact CD1-CG 3.85Å; F1781-M1829 HydrophobicContact CD1-SD 3.44Å; F1781-M1829 WeakPolarHBondContact CD1-SD 3.22Å; F1781-M1829 HydrophobicContact CD2-SD 4.16Å; F1781-M1829 HydrophobicContact CE1-CE 3.46Å; F1781-M1829 VanDerWaalsContact CE1-CE 3.46Å; F1781-M1829 HydrophobicContact CE1-SD 3.67Å; F1781-M1829 HydrophobicContact CE2-SD 4.35Å; F1781-M1829 HydrophobicContact CG-CE 4.4Å; F1781-M1829 HydrophobicContact CG-CG 3.94Å; F1781-M1829 HydrophobicContact CG-SD 3.71Å; F1781-M1829 HydrophobicContact CZ-CE 4.28Å; F1781-M1829 HydrophobicContact CZ-SD 4.13Å; F1781-I1832 VanDerWaalsContact O-CD1 3.29Å; F1781-I1832 WeakPolarHBondContact O-CD1 3.49Å |
| 1782 | S | 87.1 | Confident | 72.9 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -20.2 | -179.9 | 57.8 | 0 | 0 | 0 | 0 | 114 | T1780 P1816 W1817 | T1780-S1782 VanDerWaalsContact C-N 3.28Å; T1780-S1782 PolarHBondContact O-N 3.01Å; S1782-P1816 VanDerWaalsContact O-CG 3.24Å; S1782-P1816 WeakPolarHBondContact O-CG 3.1Å; S1782-W1817 PolarHBondContact O-NE1 3.29Å |
| 1783 | F | 92.4 | Very high | 74.2 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -16 | 177.6 | -62.5 | -100.3 | 0 | 0 | 0 | 112.3 | K1739 T1780 F1781 W1801 S1802 C1805 E1809 P1816 | K1739-F1783 HydrophobicContact CB-CD1 3.85Å; K1739-F1783 HydrophobicContact CB-CD2 3.89Å; K1739-F1783 HydrophobicContact CB-CE1 3.78Å; K1739-F1783 HydrophobicContact CB-CE2 3.82Å; K1739-F1783 HydrophobicContact CB-CG 3.93Å; K1739-F1783 HydrophobicContact CB-CZ 3.78Å; T1780-F1783 HydrophobicContact CG2-CD2 3.89Å; T1780-F1783 HydrophobicContact CG2-CE2 4.32Å; T1780-F1783 PolarHBondContact O-N 2.75Å; F1781-F1783 VanDerWaalsContact C-N 3.27Å; F1781-F1783 PolarHBondContact O-N 3.5Å; F1783-W1801 PolarHBondContact O-NE1 2.87Å; F1783-S1802 PolarHBondContact O-OG 2.62Å; F1783-C1805 HydrophobicContact CB-CB 4.33Å; F1783-C1805 HydrophobicContact CD1-CB 3.45Å; F1783-C1805 VanDerWaalsContact CD1-CB 3.45Å; F1783-C1805 HydrophobicContact CE1-CB 4.08Å; F1783-C1805 HydrophobicContact CG-CB 4.19Å; F1783-E1809 WeakPolarHBondContact CE1-OE2 3.24Å; F1783-E1809 VanDerWaalsContact CZ-OE2 3.26Å; F1783-E1809 WeakPolarHBondContact CZ-OE2 3.48Å; F1783-P1816 HydrophobicContact CD1-CG 4.29Å; F1783-P1816 HydrophobicContact CD2-CG 4.42Å; F1783-P1816 HydrophobicContact CE1-CG 4.13Å; F1783-P1816 HydrophobicContact CE2-CG 4.28Å; F1783-P1816 HydrophobicContact CG-CG 4.4Å; F1783-P1816 HydrophobicContact CZ-CG 4.12Å |
| 1784 | M | 90.7 | Very high | 75.7 | Confident | 9 Ų | 9 | 34.1 Ų | 34.1 | 4% | 0.044 | 19% | 0.187 | C | C | . | . | trans | -59.2 | 143.6 | 178.7 | -71.1 | -173.4 | -167.3 | 0 | 0 | 112.2 | V1777 G1779 T1780 F1781 V1788 L1789 W1801 | V1777-M1784 HydrophobicContact CG1-CE 3.96Å; V1777-M1784 HydrophobicContact CG1-SD 3.76Å; G1779-M1784 VanDerWaalsContact C-CE 3.41Å; G1779-M1784 WeakPolarHBondContact O-CE 3.44Å; T1780-M1784 PolarHBondContact O-N 3.26Å; F1781-M1784 HydrophobicContact CD1-CE 3.36Å; F1781-M1784 HydrophobicContact CD1-SD 3.72Å; F1781-M1784 HydrophobicContact CE1-CE 3.66Å; F1781-M1784 HydrophobicContact CE1-SD 4.34Å; F1781-M1784 HydrophobicContact CG-CE 4.18Å; F1781-M1784 PolarHBondContact O-N 3.23Å; M1784-V1788 HydrophobicContact SD-CG1 4.17Å; M1784-L1789 HydrophobicContact CB-CD1 4.07Å; M1784-L1789 HydrophobicContact CB-CD2 4.22Å; M1784-L1789 HydrophobicContact CB-CG 3.88Å; M1784-L1789 HydrophobicContact SD-CD2 3.49Å; M1784-L1789 WeakPolarHBondContact SD-CD2 3.18Å; M1784-L1789 HydrophobicContact SD-CG 4.07Å; M1784-W1801 PolarHBondContact O-NE1 3.47Å | ||
| 1785 | A | 93.2 | Very high | 78 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | trans | -77.1 | 153.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1787 V1788 L1789 C1798 W1801 | A1785-E1787 VanDerWaalsContact C-N 3.28Å; A1785-E1787 VanDerWaalsContact CB-CD 3.44Å; A1785-E1787 WeakPolarHBondContact CB-OE1 3.04Å; A1785-E1787 WeakPolarHBondContact CB-OE2 3.33Å; A1785-E1787 PolarHBondContact O-N 3.13Å; A1785-V1788 HydrophobicContact CB-CG2 4.27Å; A1785-V1788 WeakPolarHBondContact O-CB 3.46Å; A1785-V1788 PolarHBondContact O-N 3.03Å; A1785-V1788 VanDerWaalsContact O-N 3.11Å; A1785-L1789 PolarHBondContact O-N 2.77Å; A1785-C1798 HydrophobicContact CB-CB 3.83Å; A1785-W1801 HydrophobicContact CB-CB 3.81Å; A1785-W1801 HydrophobicContact CB-CD2 4.21Å; A1785-W1801 HydrophobicContact CB-CG 3.59Å | ||
| 1786 | P | 92.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.9 | -39.4 | -176.9 | -26.1 | 36 | 0 | 0 | 0 | 113.4 | V1788 L1789 R1790 W1801 I1832 | P1786-V1788 VanDerWaalsContact C-N 3.33Å; P1786-V1788 PolarHBondContact O-N 2.74Å; P1786-L1789 PolarHBondContact O-N 3.42Å; P1786-R1790 VanDerWaalsContact O-CG 3.29Å; P1786-R1790 WeakPolarHBondContact O-CG 3.48Å; P1786-R1790 PolarHBondContact O-N 3.44Å; P1786-W1801 HydrophobicContact CG-CE3 4.3Å; P1786-W1801 HydrophobicContact CG-CH2 4.04Å; P1786-W1801 HydrophobicContact CG-CZ2 4.3Å; P1786-W1801 HydrophobicContact CG-CZ3 3.99Å; P1786-I1832 HydrophobicContact CG-CG2 4.32Å |
| 1787 | E | 91.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 178.9 | 67.3 | -80.2 | -173.5 | 0 | 0 | 112.4 | A1785 L1789 R1790 G1791 E1792 P1861 R1864 | A1785-E1787 VanDerWaalsContact C-N 3.28Å; A1785-E1787 VanDerWaalsContact CB-CD 3.44Å; A1785-E1787 WeakPolarHBondContact CB-OE1 3.04Å; A1785-E1787 WeakPolarHBondContact CB-OE2 3.33Å; A1785-E1787 PolarHBondContact O-N 3.13Å; E1787-L1789 PolarHBondContact O-N 2.73Å; E1787-R1790 PolarHBondContact O-N 3.4Å; E1787-G1791 PolarHBondContact O-N 2.97Å; E1787-E1792 VanDerWaalsContact CA-OE2 3.27Å; E1787-E1792 WeakPolarHBondContact CA-OE2 3.49Å; E1787-E1792 HydrophobicContact CB-CB 3.96Å; E1787-E1792 WeakPolarHBondContact CB-OE2 3.46Å; E1787-E1792 WeakPolarHBondContact O-CB 3.37Å; E1787-E1792 PolarHBondContact O-N 3.49Å; E1787-P1861 HydrophobicContact CB-CG 4.49Å; E1787-P1861 HydrophobicContact CG-CB 4.34Å; E1787-P1861 HydrophobicContact CG-CG 4.34Å; E1787-R1864 IonicContact OE1-CZ 3.97Å; E1787-R1864 IonicContact OE1-NH1 3.19Å; E1787-R1864 PolarHBondContact OE1-NH1 3.4Å; E1787-R1864 IonicContact OE1-NH2 3.54Å; E1787-R1864 IonicContact OE2-CZ 3.92Å; E1787-R1864 IonicContact OE2-NH1 3.58Å; E1787-R1864 PolarHBondContact OE2-NH1 2.99Å; E1787-R1864 IonicContact OE2-NH2 2.76Å; E1787-R1864 PolarHBondContact OE2-NH2 3.24Å |
| 1788 | V | 88.3 | Confident | 84.3 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.5 | -178 | 0 | 0 | 0 | 0 | 110.3 | M1784 A1785 P1786 R1790 G1791 Y1794 C1798 | M1784-V1788 HydrophobicContact SD-CG1 4.17Å; A1785-V1788 HydrophobicContact CB-CG2 4.27Å; A1785-V1788 WeakPolarHBondContact O-CB 3.46Å; A1785-V1788 PolarHBondContact O-N 3.03Å; A1785-V1788 VanDerWaalsContact O-N 3.11Å; P1786-V1788 VanDerWaalsContact C-N 3.33Å; P1786-V1788 PolarHBondContact O-N 2.74Å; V1788-R1790 VanDerWaalsContact C-N 3.35Å; V1788-R1790 PolarHBondContact O-N 2.74Å; V1788-G1791 PolarHBondContact O-N 3.4Å; V1788-Y1794 HydrophobicContact CG1-CE1 4.31Å; V1788-Y1794 HydrophobicContact CG2-CD1 4.01Å; V1788-Y1794 HydrophobicContact CG2-CD2 3.97Å; V1788-Y1794 HydrophobicContact CG2-CE1 4.27Å; V1788-Y1794 HydrophobicContact CG2-CE2 4.22Å; V1788-Y1794 HydrophobicContact CG2-CG 3.84Å; V1788-C1798 HydrophobicContact CG2-CB 3.76Å |
| 1789 | L | 86.5 | Confident | 86.1 | Confident | 24 Ų | 24 | 25.3 Ų | 25.3 | 13% | 0.126 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -73 | -23.3 | -178.9 | -72.2 | 170.8 | 0 | 0 | 0 | 114.1 | V1777 F1781 M1784 A1785 P1786 E1787 G1791 M1829 I1832 A1833 | V1777-L1789 HydrophobicContact CG1-CD2 4.29Å; F1781-L1789 HydrophobicContact CD1-CD2 4.23Å; M1784-L1789 HydrophobicContact CB-CD1 4.07Å; M1784-L1789 HydrophobicContact CB-CD2 4.22Å; M1784-L1789 HydrophobicContact CB-CG 3.88Å; M1784-L1789 HydrophobicContact SD-CD2 3.49Å; M1784-L1789 WeakPolarHBondContact SD-CD2 3.18Å; M1784-L1789 HydrophobicContact SD-CG 4.07Å; A1785-L1789 PolarHBondContact O-N 2.77Å; P1786-L1789 PolarHBondContact O-N 3.42Å; E1787-L1789 PolarHBondContact O-N 2.73Å; L1789-G1791 VanDerWaalsContact C-N 3.33Å; L1789-M1829 HydrophobicContact CD2-CB 4.06Å; L1789-M1829 HydrophobicContact CD2-CE 3.7Å; L1789-M1829 HydrophobicContact CD2-CG 3.85Å; L1789-I1832 HydrophobicContact CD1-CB 3.56Å; L1789-I1832 HydrophobicContact CD1-CD1 4.13Å; L1789-I1832 HydrophobicContact CD1-CG1 4.45Å; L1789-I1832 HydrophobicContact CD1-CG2 3.48Å; L1789-I1832 VanDerWaalsContact CD1-CG2 3.48Å; L1789-A1833 HydrophobicContact CB-CB 4.15Å |
| 1790 | R | 86.7 | Confident | 88 | Confident | 101 Ų | 101 | 24.1 Ų | 24.1 | 38% | 0.381 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -83.4 | -9.3 | 171.3 | -66.5 | 169.9 | -162.2 | 148.4 | 0.2 | 113.2 | P1786 E1787 V1788 E1792 A1833 | P1786-R1790 VanDerWaalsContact O-CG 3.29Å; P1786-R1790 WeakPolarHBondContact O-CG 3.48Å; P1786-R1790 PolarHBondContact O-N 3.44Å; E1787-R1790 PolarHBondContact O-N 3.4Å; V1788-R1790 VanDerWaalsContact C-N 3.35Å; V1788-R1790 PolarHBondContact O-N 2.74Å; R1790-E1792 HydrophobicContact CB-CG 3.78Å; R1790-E1792 WeakPolarHBondContact CD-OE1 3.48Å; R1790-E1792 WeakPolarHBondContact CD-OE2 3.42Å; R1790-E1792 IonicContact CZ-OE2 3.92Å; R1790-E1792 IonicContact NE-OE1 3.41Å; R1790-E1792 IonicContact NH1-OE1 3.45Å; R1790-E1792 PolarHBondContact NH1-OE1 3.25Å; R1790-E1792 IonicContact NH1-OE2 2.95Å; R1790-E1792 PolarHBondContact NH1-OE2 3.26Å; R1790-E1792 PolarHBondContact O-N 2.79Å; R1790-A1833 HydrophobicContact CG-CB 4.07Å; R1790-A1833 PolarHBondContact NE-O 2.9Å; R1790-A1833 PolarHBondContact NH2-O 3.34Å |
| 1791 | G | 79.7 | Confident | 88.9 | Confident | 20 Ų | 20 | 22 Ų | 22 | 21% | 0.206 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 15.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1774 G1775 E1787 V1788 L1789 | Q1774-G1791 WeakPolarHBondContact CG-O 3.46Å; G1775-G1791 PolarHBondContact N-O 3.14Å; E1787-G1791 PolarHBondContact O-N 2.97Å; V1788-G1791 PolarHBondContact O-N 3.4Å; L1789-G1791 VanDerWaalsContact C-N 3.33Å |
| 1792 | E | 81.5 | Confident | 89.6 | Confident | 80 Ų | 80 | 19.1 Ų | 19.1 | 37% | 0.374 | 10% | 0.102 | S | C | . | . | trans | -63.7 | 170.3 | 174.8 | -71.4 | 168.7 | 171.8 | 0 | 0 | 110.9 | E1787 R1790 | E1787-E1792 VanDerWaalsContact CA-OE2 3.27Å; E1787-E1792 WeakPolarHBondContact CA-OE2 3.49Å; E1787-E1792 HydrophobicContact CB-CB 3.96Å; E1787-E1792 WeakPolarHBondContact CB-OE2 3.46Å; E1787-E1792 WeakPolarHBondContact O-CB 3.37Å; E1787-E1792 PolarHBondContact O-N 3.49Å; R1790-E1792 HydrophobicContact CB-CG 3.78Å; R1790-E1792 WeakPolarHBondContact CD-OE1 3.48Å; R1790-E1792 WeakPolarHBondContact CD-OE2 3.42Å; R1790-E1792 IonicContact CZ-OE2 3.92Å; R1790-E1792 IonicContact NE-OE1 3.41Å; R1790-E1792 IonicContact NH1-OE1 3.45Å; R1790-E1792 PolarHBondContact NH1-OE1 3.25Å; R1790-E1792 IonicContact NH1-OE2 2.95Å; R1790-E1792 PolarHBondContact NH1-OE2 3.26Å; R1790-E1792 PolarHBondContact O-N 2.79Å | ||
| 1793 | T | 73.8 | Confident | 90.1 | Very high | 45 Ų | 45 | 18.2 Ų | 18.2 | 28% | 0.276 | 10% | 0.096 | S | C | . | . | trans | -76.1 | 127.7 | 175.5 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | A1770 F1773 Q1774 | A1770-T1793 WeakPolarHBondContact O-CB 3.44Å; A1770-T1793 PolarHBondContact O-OG1 2.83Å; A1770-T1793 VanDerWaalsContact O-OG1 3.06Å; F1773-T1793 CarbonylContact O-C 3.56Å; F1773-T1793 VanDerWaalsContact O-CA 3.29Å; F1773-T1793 WeakPolarHBondContact O-CA 3.22Å; Q1774-T1793 HydrophobicContact CB-CG2 3.98Å; Q1774-T1793 HydrophobicContact CG-CG2 3.81Å | ||
| 1794 | Y | 81.6 | Confident | 90.3 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 2% | 0.02 | 9% | 0.093 | C | C | . | . | B | Isolated β-bridge | trans | -132.4 | 164.3 | -173.3 | 74.4 | -96.1 | 0 | 0 | 0 | 114.1 | R1736 F1773 Q1776 V1788 C1798 | R1736-Y1794 PolarHBondContact NH1-OH 2.95Å; F1773-Y1794 HydrophobicContact CB-CD1 4.04Å; F1773-Y1794 HydrophobicContact CB-CD2 4.27Å; F1773-Y1794 HydrophobicContact CB-CE1 3.7Å; F1773-Y1794 HydrophobicContact CB-CE2 3.97Å; F1773-Y1794 HydrophobicContact CB-CG 4.32Å; F1773-Y1794 HydrophobicContact CG-CE2 4.42Å; F1773-Y1794 PolarHBondContact O-N 3.14Å; Q1776-Y1794 HydrophobicContact CB-CE1 4.06Å; Q1776-Y1794 WeakPolarHBondContact CB-OH 3.32Å; Q1776-Y1794 WeakPolarHBondContact O-CE1 3.42Å; Q1776-Y1794 PolarHBondContact O-OH 2.83Å; Q1776-Y1794 VanDerWaalsContact O-OH 3.07Å; V1788-Y1794 HydrophobicContact CG1-CE1 4.31Å; V1788-Y1794 HydrophobicContact CG2-CD1 4.01Å; V1788-Y1794 HydrophobicContact CG2-CD2 3.97Å; V1788-Y1794 HydrophobicContact CG2-CE1 4.27Å; V1788-Y1794 HydrophobicContact CG2-CE2 4.22Å; V1788-Y1794 HydrophobicContact CG2-CG 3.84Å; Y1794-C1798 HydrophobicContact CD2-CB 4.27Å; Y1794-C1798 VanDerWaalsContact CD2-SG 3.6Å |
| 1795 | G | 86.8 | Confident | 90.6 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 12% | 0.124 | 9% | 0.091 | C | C | . | . | trans | -161 | -149.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1797 C1798 | G1795-A1797 PolarHBondContact O-N 2.68Å; G1795-C1798 PolarHBondContact O-N 3.36Å; G1795-C1798 PolarHBondContact O-SG 2.78Å | ||
| 1796 | R | 92.8 | Very high | 90.8 | Very high | 36 Ų | 36 | 17.2 Ų | 17.2 | 14% | 0.136 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -34.2 | -175.4 | -70.8 | -179 | -179.5 | 121.4 | -5.2 | 115 | H1729 L1734 L1763 E1766 C1798 D1799 I1800 | H1729-R1796 HydrophobicContact CB-CG 4.36Å; H1729-R1796 PolarHBondContact CE1-O 3.41Å; H1729-R1796 VanDerWaalsContact CE1-O 3.3Å; H1729-R1796 PolarHBondContact O-NE 3.43Å; H1729-R1796 PolarHBondContact O-NH2 3.32Å; L1734-R1796 HydrophobicContact CD2-CB 4.25Å; L1734-R1796 HydrophobicContact CD2-CG 3.72Å; L1763-R1796 HydrophobicContact CD1-CG 4.08Å; E1766-R1796 VanDerWaalsContact O-CZ 3.25Å; E1766-R1796 PolarHBondContact O-NH1 3.45Å; E1766-R1796 PolarHBondContact O-NH2 2.75Å; R1796-C1798 PolarHBondContact O-N 3.36Å; R1796-D1799 PolarHBondContact O-N 3.18Å; R1796-I1800 PolarHBondContact O-N 2.94Å |
| 1797 | A | 94.4 | Very high | 91.1 | Very high | 19 Ų | 19 | 17.2 Ų | 17.2 | 16% | 0.157 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -23.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G1795 I1800 W1801 P1861 R1864 | G1795-A1797 PolarHBondContact O-N 2.68Å; A1797-I1800 PolarHBondContact O-N 3.38Å; A1797-W1801 PolarHBondContact O-N 2.84Å; A1797-W1801 VanDerWaalsContact O-N 3.16Å; A1797-P1861 HydrophobicContact CB-CB 3.67Å; A1797-P1861 WeakPolarHBondContact CB-O 3.45Å; A1797-R1864 PolarHBondContact O-NH1 3.26Å |
| 1798 | C | 94 | Very high | 91.3 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 3% | 0.027 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -73.5 | -33.4 | 178 | 72 | 0 | 0 | 0 | 0 | 112.4 | A1785 V1788 Y1794 G1795 R1796 S1802 | A1785-C1798 HydrophobicContact CB-CB 3.83Å; V1788-C1798 HydrophobicContact CG2-CB 3.76Å; Y1794-C1798 HydrophobicContact CD2-CB 4.27Å; Y1794-C1798 VanDerWaalsContact CD2-SG 3.6Å; G1795-C1798 PolarHBondContact O-N 3.36Å; G1795-C1798 PolarHBondContact O-SG 2.78Å; R1796-C1798 PolarHBondContact O-N 3.36Å; C1798-S1802 PolarHBondContact O-N 3.44Å; C1798-S1802 VanDerWaalsContact O-N 3.1Å; C1798-S1802 PolarHBondContact O-OG 2.84Å |
| 1799 | D | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.2 | -36.2 | 171.8 | -69.5 | -37.4 | 0 | 0 | 0 | 110.7 | L1725 H1729 L1734 H1735 R1736 L1738 R1796 S1802 V1803 | L1725-D1799 HydrophobicContact CD1-CB 3.83Å; L1725-D1799 HydrophobicContact CD2-CB 3.78Å; L1725-D1799 HydrophobicContact CG-CB 4.38Å; H1729-D1799 IonicContact CD2-OD2 3.78Å; H1729-D1799 IonicContact CE1-OD2 3.37Å; H1729-D1799 IonicContact NE2-OD2 2.83Å; H1729-D1799 PolarHBondContact NE2-OD2 2.87Å; L1734-D1799 WeakPolarHBondContact CA-OD2 3.23Å; H1735-D1799 PolarHBondContact N-OD1 3.37Å; H1735-D1799 PolarHBondContact N-OD2 3.03Å; R1736-D1799 PolarHBondContact N-OD1 2.95Å; L1738-D1799 HydrophobicContact CD1-CB 3.89Å; R1796-D1799 PolarHBondContact O-N 3.18Å; D1799-S1802 CarbonylContact O-C 3.55Å; D1799-S1802 WeakPolarHBondContact O-CA 3.47Å; D1799-S1802 WeakPolarHBondContact O-CB 3.43Å; D1799-S1802 PolarHBondContact O-N 2.84Å; D1799-S1802 VanDerWaalsContact O-N 3.1Å; D1799-V1803 WeakPolarHBondContact O-CG2 3.2Å; D1799-V1803 PolarHBondContact O-N 2.92Å |
| 1800 | I | 97.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 178 | -57.6 | -63.6 | 0 | 0 | 0 | 111.7 | L1725 R1796 A1797 S1802 V1803 G1804 C1856 R1864 P1865 A1867 | L1725-I1800 HydrophobicContact CD2-CD1 4Å; R1796-I1800 PolarHBondContact O-N 2.94Å; A1797-I1800 PolarHBondContact O-N 3.38Å; I1800-S1802 VanDerWaalsContact C-N 3.29Å; I1800-S1802 PolarHBondContact O-N 2.77Å; I1800-V1803 WeakPolarHBondContact O-CB 3.47Å; I1800-V1803 PolarHBondContact O-N 3.46Å; I1800-G1804 PolarHBondContact O-N 3.2Å; I1800-G1804 VanDerWaalsContact O-N 3.14Å; I1800-C1856 PolarHBondContact O-SG 2.79Å; I1800-R1864 HydrophobicContact CG2-CB 4.22Å; I1800-P1865 WeakPolarHBondContact CG1-O 3.38Å; I1800-P1865 WeakPolarHBondContact CG2-O 2.94Å; I1800-A1867 HydrophobicContact CD1-CB 3.97Å |
| 1801 | W | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 170.2 | 167.5 | -78 | 0 | 0 | 0 | 111.8 | F1783 M1784 A1785 P1786 A1797 V1803 G1804 C1805 W1817 I1832 C1856 F1857 | F1783-W1801 PolarHBondContact O-NE1 2.87Å; M1784-W1801 PolarHBondContact O-NE1 3.47Å; A1785-W1801 HydrophobicContact CB-CB 3.81Å; A1785-W1801 HydrophobicContact CB-CD2 4.21Å; A1785-W1801 HydrophobicContact CB-CG 3.59Å; P1786-W1801 HydrophobicContact CG-CE3 4.3Å; P1786-W1801 HydrophobicContact CG-CH2 4.04Å; P1786-W1801 HydrophobicContact CG-CZ2 4.3Å; P1786-W1801 HydrophobicContact CG-CZ3 3.99Å; A1797-W1801 PolarHBondContact O-N 2.84Å; A1797-W1801 VanDerWaalsContact O-N 3.16Å; W1801-V1803 VanDerWaalsContact C-N 3.34Å; W1801-V1803 PolarHBondContact O-N 3.33Å; W1801-G1804 PolarHBondContact O-N 3.11Å; W1801-C1805 PolarHBondContact O-N 3.32Å; W1801-C1805 PolarHBondContact O-SG 2.84Å; W1801-W1817 HydrophobicContact CH2-CZ2 4.09Å; W1801-W1817 AromaticContact CZ2-CZ2 3.89Å; W1801-W1817 HydrophobicContact CZ2-CZ2 3.89Å; W1801-I1832 HydrophobicContact CZ2-CG2 4.1Å; W1801-C1856 WeakPolarHBondContact CA-O 2.95Å; W1801-F1857 HydrophobicContact CD2-CD1 4.06Å; W1801-F1857 HydrophobicContact CE3-CB 4.38Å; W1801-F1857 AromaticContact CE3-CD1 3.82Å; W1801-F1857 HydrophobicContact CE3-CD1 3.82Å; W1801-F1857 HydrophobicContact CH2-CB 4.48Å; W1801-F1857 AromaticContact CH2-CD1 3.92Å; W1801-F1857 HydrophobicContact CH2-CD1 3.92Å; W1801-F1857 HydrophobicContact CZ2-CD1 4.22Å; W1801-F1857 HydrophobicContact CZ3-CB 3.9Å; W1801-F1857 AromaticContact CZ3-CD1 3.75Å; W1801-F1857 HydrophobicContact CZ3-CD1 3.75Å; W1801-F1857 HydrophobicContact CZ3-CG 4.27Å; W1801-F1857 WeakPolarHBondContact CZ3-O 3.2Å |
| 1802 | S | 96.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 12.2 Ų | 12.2 | 4% | 0.035 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.4 | -33.3 | 177.9 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | F1783 C1798 D1799 I1800 C1805 C1806 | F1783-S1802 PolarHBondContact O-OG 2.62Å; C1798-S1802 PolarHBondContact O-N 3.44Å; C1798-S1802 VanDerWaalsContact O-N 3.1Å; C1798-S1802 PolarHBondContact O-OG 2.84Å; D1799-S1802 CarbonylContact O-C 3.55Å; D1799-S1802 WeakPolarHBondContact O-CA 3.47Å; D1799-S1802 WeakPolarHBondContact O-CB 3.43Å; D1799-S1802 PolarHBondContact O-N 2.84Å; D1799-S1802 VanDerWaalsContact O-N 3.1Å; I1800-S1802 VanDerWaalsContact C-N 3.29Å; I1800-S1802 PolarHBondContact O-N 2.77Å; S1802-C1805 WeakPolarHBondContact O-CB 3.35Å; S1802-C1805 PolarHBondContact O-N 3.23Å; S1802-C1806 PolarHBondContact O-N 3.32Å; S1802-C1806 PolarHBondContact O-SG 2.85Å |
| 1803 | V | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 168.9 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | L1721 I1722 L1725 L1738 D1799 I1800 W1801 C1805 C1806 L1807 L1870 | L1721-V1803 HydrophobicContact CD1-CG2 4.34Å; L1721-V1803 HydrophobicContact CD2-CB 4.36Å; L1721-V1803 HydrophobicContact CD2-CG1 4.01Å; L1721-V1803 HydrophobicContact CD2-CG2 4.05Å; L1721-V1803 HydrophobicContact CG-CG1 4.41Å; L1721-V1803 HydrophobicContact CG-CG2 3.98Å; I1722-V1803 HydrophobicContact CD1-CG1 4.37Å; I1722-V1803 HydrophobicContact CG1-CG1 3.92Å; L1725-V1803 HydrophobicContact CD2-CG2 3.59Å; L1738-V1803 HydrophobicContact CD1-CG2 4.08Å; D1799-V1803 WeakPolarHBondContact O-CG2 3.2Å; D1799-V1803 PolarHBondContact O-N 2.92Å; I1800-V1803 WeakPolarHBondContact O-CB 3.47Å; I1800-V1803 PolarHBondContact O-N 3.46Å; W1801-V1803 VanDerWaalsContact C-N 3.34Å; W1801-V1803 PolarHBondContact O-N 3.33Å; V1803-C1805 VanDerWaalsContact C-N 3.29Å; V1803-C1805 PolarHBondContact O-N 3.4Å; V1803-C1806 WeakPolarHBondContact O-CB 3.49Å; V1803-C1806 PolarHBondContact O-N 2.98Å; V1803-C1806 VanDerWaalsContact O-N 3.08Å; V1803-L1807 HydrophobicContact CG1-CD1 4.33Å; V1803-L1807 WeakPolarHBondContact O-CG 3.29Å; V1803-L1807 PolarHBondContact O-N 3.2Å; V1803-L1870 HydrophobicContact CG1-CD2 4.34Å |
| 1804 | G | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -54.4 | -46.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | I1800 W1801 C1806 L1807 V1808 F1857 | I1800-G1804 PolarHBondContact O-N 3.2Å; I1800-G1804 VanDerWaalsContact O-N 3.14Å; W1801-G1804 PolarHBondContact O-N 3.11Å; G1804-C1806 VanDerWaalsContact C-N 3.34Å; G1804-C1806 PolarHBondContact O-N 3.43Å; G1804-L1807 PolarHBondContact O-N 2.64Å; G1804-V1808 WeakPolarHBondContact O-CG2 3.36Å; G1804-V1808 PolarHBondContact O-N 2.92Å; G1804-F1857 WeakPolarHBondContact O-CZ 3.47Å |
| 1805 | C | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 175.3 | -66.8 | 0 | 0 | 0 | 0 | 113 | F1783 W1801 S1802 V1803 V1808 E1809 P1816 | F1783-C1805 HydrophobicContact CB-CB 4.33Å; F1783-C1805 HydrophobicContact CD1-CB 3.45Å; F1783-C1805 VanDerWaalsContact CD1-CB 3.45Å; F1783-C1805 HydrophobicContact CE1-CB 4.08Å; F1783-C1805 HydrophobicContact CG-CB 4.19Å; W1801-C1805 PolarHBondContact O-N 3.32Å; W1801-C1805 PolarHBondContact O-SG 2.84Å; S1802-C1805 WeakPolarHBondContact O-CB 3.35Å; S1802-C1805 PolarHBondContact O-N 3.23Å; V1803-C1805 VanDerWaalsContact C-N 3.29Å; V1803-C1805 PolarHBondContact O-N 3.4Å; C1805-V1808 PolarHBondContact O-N 3.26Å; C1805-E1809 PolarHBondContact O-N 3.04Å; C1805-P1816 HydrophobicContact CB-CB 4.28Å; C1805-P1816 HydrophobicContact CB-CG 4.09Å |
| 1806 | C | 97.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.6 | -37.2 | 175 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | L1721 K1739 L1743 S1802 V1803 G1804 E1809 M1810 | L1721-C1806 HydrophobicContact CD2-CB 3.95Å; K1739-C1806 VanDerWaalsContact CA-SG 3.58Å; L1743-C1806 HydrophobicContact CD1-CB 4.42Å; S1802-C1806 PolarHBondContact O-N 3.32Å; S1802-C1806 PolarHBondContact O-SG 2.85Å; V1803-C1806 WeakPolarHBondContact O-CB 3.49Å; V1803-C1806 PolarHBondContact O-N 2.98Å; V1803-C1806 VanDerWaalsContact O-N 3.08Å; G1804-C1806 VanDerWaalsContact C-N 3.34Å; G1804-C1806 PolarHBondContact O-N 3.43Å; C1806-E1809 PolarHBondContact O-N 3.19Å; C1806-M1810 WeakPolarHBondContact O-CE 3.49Å; C1806-M1810 WeakPolarHBondContact O-CG 3.41Å; C1806-M1810 PolarHBondContact O-N 2.89Å |
| 1807 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 173.9 | -64.4 | 170.4 | 0 | 0 | 0 | 110.8 | T1714 V1803 G1804 M1810 L1811 V1852 L1853 | T1714-L1807 HydrophobicContact CG2-CB 4.3Å; T1714-L1807 HydrophobicContact CG2-CD2 3.66Å; V1803-L1807 HydrophobicContact CG1-CD1 4.33Å; V1803-L1807 WeakPolarHBondContact O-CG 3.29Å; V1803-L1807 PolarHBondContact O-N 3.2Å; G1804-L1807 PolarHBondContact O-N 2.64Å; L1807-M1810 HydrophobicContact CD2-CE 4.03Å; L1807-M1810 PolarHBondContact O-N 3.09Å; L1807-L1811 WeakPolarHBondContact O-CB 3.36Å; L1807-L1811 WeakPolarHBondContact O-CD1 3.37Å; L1807-L1811 WeakPolarHBondContact O-CG 3.41Å; L1807-L1811 PolarHBondContact O-N 3.46Å; L1807-V1852 HydrophobicContact CD1-CG1 3.83Å; L1807-L1853 HydrophobicContact CB-CD2 3.78Å; L1807-L1853 HydrophobicContact CD1-CD2 4.16Å |
| 1808 | V | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 174.7 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | G1804 C1805 M1810 L1811 T1812 L1853 F1857 | G1804-V1808 WeakPolarHBondContact O-CG2 3.36Å; G1804-V1808 PolarHBondContact O-N 2.92Å; C1805-V1808 PolarHBondContact O-N 3.26Å; V1808-M1810 PolarHBondContact O-N 3.22Å; V1808-L1811 PolarHBondContact O-N 3.11Å; V1808-T1812 HydrophobicContact CG1-CG2 4.21Å; V1808-T1812 WeakPolarHBondContact O-CB 3.36Å; V1808-T1812 WeakPolarHBondContact O-CG2 3.41Å; V1808-T1812 PolarHBondContact O-N 2.86Å; V1808-T1812 VanDerWaalsContact O-N 3.1Å; V1808-T1812 PolarHBondContact O-OG1 3.18Å; V1808-L1853 HydrophobicContact CG2-CD2 3.99Å; V1808-F1857 HydrophobicContact CG2-CE2 3.76Å; V1808-F1857 HydrophobicContact CG2-CZ 3.68Å |
| 1809 | E | 96.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 20 Ų | 20 | 6% | 0.056 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.4 | -48.3 | 174.4 | -164.4 | -169.3 | 162.7 | 0 | 0 | 110.7 | T1700 L1703 G1740 F1783 C1805 C1806 T1812 S1813 K1814 | T1700-E1809 PolarHBondContact OG1-OE1 3.07Å; L1703-E1809 HydrophobicContact CD1-CG 3.93Å; G1740-E1809 VanDerWaalsContact CA-OE2 3.28Å; G1740-E1809 WeakPolarHBondContact CA-OE2 3.34Å; G1740-E1809 PolarHBondContact N-OE2 3.15Å; F1783-E1809 WeakPolarHBondContact CE1-OE2 3.24Å; F1783-E1809 VanDerWaalsContact CZ-OE2 3.26Å; F1783-E1809 WeakPolarHBondContact CZ-OE2 3.48Å; C1805-E1809 PolarHBondContact O-N 3.04Å; C1806-E1809 PolarHBondContact O-N 3.19Å; E1809-T1812 PolarHBondContact O-N 3.33Å; E1809-S1813 WeakPolarHBondContact O-CA 3.27Å; E1809-S1813 PolarHBondContact O-N 2.9Å; E1809-K1814 WeakPolarHBondContact CA-O 3.45Å |
| 1810 | M | 97.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 176.9 | -74.9 | -173.7 | -78.3 | 0 | 0 | 113.2 | I1699 L1703 F1709 T1714 Y1717 C1806 L1807 V1808 T1812 | I1699-M1810 HydrophobicContact CD1-SD 4.12Å; I1699-M1810 HydrophobicContact CG2-CG 3.67Å; I1699-M1810 HydrophobicContact CG2-SD 4.13Å; L1703-M1810 HydrophobicContact CD1-CG 4.25Å; F1709-M1810 HydrophobicContact CB-CB 4.49Å; F1709-M1810 HydrophobicContact CD2-CB 3.82Å; F1709-M1810 HydrophobicContact CD2-CG 3.68Å; F1709-M1810 HydrophobicContact CD2-SD 3.88Å; F1709-M1810 HydrophobicContact CE2-CB 4.5Å; F1709-M1810 HydrophobicContact CE2-CG 3.9Å; F1709-M1810 HydrophobicContact CE2-SD 4.04Å; F1709-M1810 HydrophobicContact CG-CB 4.49Å; F1709-M1810 PolarHBondContact N-O 3.19Å; T1714-M1810 HydrophobicContact CG2-CB 4.15Å; T1714-M1810 HydrophobicContact CG2-CE 4.33Å; Y1717-M1810 HydrophobicContact CD2-SD 3.98Å; Y1717-M1810 HydrophobicContact CG-SD 4.45Å; C1806-M1810 WeakPolarHBondContact O-CE 3.49Å; C1806-M1810 WeakPolarHBondContact O-CG 3.41Å; C1806-M1810 PolarHBondContact O-N 2.89Å; L1807-M1810 HydrophobicContact CD2-CE 4.03Å; L1807-M1810 PolarHBondContact O-N 3.09Å; V1808-M1810 PolarHBondContact O-N 3.22Å; M1810-T1812 PolarHBondContact O-N 3.49Å |
| 1811 | L | 95.9 | Very high | 89.4 | Confident | 14 Ų | 14 | 29.5 Ų | 29.5 | 7% | 0.073 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.4 | -13.9 | -179.4 | -67.4 | 165.5 | 0 | 0 | 0 | 114.2 | E1711 T1714 L1807 V1808 P1842 L1845 L1849 L1853 | E1711-L1811 HydrophobicContact CG-CD2 4.23Å; T1714-L1811 HydrophobicContact CG2-CD1 4.24Å; T1714-L1811 HydrophobicContact CG2-CD2 3.96Å; T1714-L1811 HydrophobicContact CG2-CG 3.81Å; T1714-L1811 WeakPolarHBondContact OG1-CD2 3.21Å; L1807-L1811 WeakPolarHBondContact O-CB 3.36Å; L1807-L1811 WeakPolarHBondContact O-CD1 3.37Å; L1807-L1811 WeakPolarHBondContact O-CG 3.41Å; L1807-L1811 PolarHBondContact O-N 3.46Å; V1808-L1811 PolarHBondContact O-N 3.11Å; L1811-P1842 HydrophobicContact CB-CG 4.31Å; L1811-L1845 HydrophobicContact CD1-CD1 4.02Å; L1811-L1845 HydrophobicContact CD1-CD2 4.16Å; L1811-L1845 HydrophobicContact CD2-CD2 3.94Å; L1811-L1849 HydrophobicContact CD1-CD2 4.1Å; L1811-L1849 HydrophobicContact CD2-CD2 4.33Å; L1811-L1853 HydrophobicContact CD1-CD1 4.22Å |
| 1812 | T | 93.5 | Very high | 87.9 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -123.6 | -16.6 | -174.1 | 65.2 | 0 | 0 | 0 | 0 | 114.6 | V1808 E1809 M1810 K1814 P1842 | V1808-T1812 HydrophobicContact CG1-CG2 4.21Å; V1808-T1812 WeakPolarHBondContact O-CB 3.36Å; V1808-T1812 WeakPolarHBondContact O-CG2 3.41Å; V1808-T1812 PolarHBondContact O-N 2.86Å; V1808-T1812 VanDerWaalsContact O-N 3.1Å; V1808-T1812 PolarHBondContact O-OG1 3.18Å; E1809-T1812 PolarHBondContact O-N 3.33Å; M1810-T1812 PolarHBondContact O-N 3.49Å; T1812-K1814 PolarHBondContact O-N 3.19Å; T1812-K1814 PolarHBondContact OG1-N 3.04Å; T1812-K1814 PolarHBondContact OG1-O 3.24Å; T1812-P1842 HydrophobicContact CG2-CG 4.16Å |
| 1813 | S | 92.4 | Very high | 85.9 | Confident | 50 Ų | 50 | 34.4 Ų | 34.4 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 31.7 | -167.2 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | G1707 A1708 E1809 | G1707-S1813 VanDerWaalsContact C-CB 3.49Å; A1708-S1813 VanDerWaalsContact N-CB 3.27Å; A1708-S1813 PolarHBondContact N-OG 2.97Å; A1708-S1813 VanDerWaalsContact N-OG 3.08Å; E1809-S1813 WeakPolarHBondContact O-CA 3.27Å; E1809-S1813 PolarHBondContact O-N 2.9Å |
| 1814 | K | 89.4 | Confident | 84.5 | Confident | 97 Ų | 97 | 36.7 Ų | 36.7 | 42% | 0.422 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -140.5 | 158.7 | 179.2 | -61.7 | 173.6 | -166.8 | 173.7 | 0 | 108.5 | E1809 T1812 H1818 | E1809-K1814 WeakPolarHBondContact CA-O 3.45Å; T1812-K1814 PolarHBondContact O-N 3.19Å; T1812-K1814 PolarHBondContact OG1-N 3.04Å; T1812-K1814 PolarHBondContact OG1-O 3.24Å; K1814-H1818 HydrophobicContact CB-CB 3.83Å; K1814-H1818 HydrophobicContact CD-CB 3.94Å; K1814-H1818 WeakPolarHBondContact CD-CD2 3.45Å; K1814-H1818 WeakPolarHBondContact CD-NE2 3.1Å; K1814-H1818 PolarHBondContact NZ-CD2 2.72Å; K1814-H1818 VanDerWaalsContact NZ-CD2 3.27Å; K1814-H1818 PolarHBondContact NZ-NE2 3.21Å; K1814-H1818 VanDerWaalsContact NZ-NE2 3.12Å |
| 1815 | P | 84.8 | Confident | 83.3 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 51% | 0.506 | 23% | 0.225 | S | C | . | . | trans | -53.8 | 152.3 | 169 | -25 | 34.9 | 0 | 0 | 0 | 111.8 | H1818 | P1815-H1818 WeakPolarHBondContact O-CB 3.44Å; P1815-H1818 PolarHBondContact O-N 2.89Å; P1815-H1818 PolarHBondContact O-ND1 3.22Å | ||
| 1816 | P | 87.1 | Confident | 82.3 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 147.6 | 163.8 | 27.9 | -36.8 | 0 | 0 | 0 | 109.6 | S1782 F1783 C1805 H1818 P1839 | S1782-P1816 VanDerWaalsContact O-CG 3.24Å; S1782-P1816 WeakPolarHBondContact O-CG 3.1Å; F1783-P1816 HydrophobicContact CD1-CG 4.29Å; F1783-P1816 HydrophobicContact CD2-CG 4.42Å; F1783-P1816 HydrophobicContact CE1-CG 4.13Å; F1783-P1816 HydrophobicContact CE2-CG 4.28Å; F1783-P1816 HydrophobicContact CG-CG 4.4Å; F1783-P1816 HydrophobicContact CZ-CG 4.12Å; C1805-P1816 HydrophobicContact CB-CB 4.28Å; C1805-P1816 HydrophobicContact CB-CG 4.09Å; P1816-H1818 VanDerWaalsContact C-N 3.33Å; P1816-H1818 PolarHBondContact O-N 3.16Å; P1816-P1839 HydrophobicContact CB-CB 4.05Å; P1816-P1839 HydrophobicContact CB-CG 4.42Å |
| 1817 | W | 88.4 | Confident | 81.6 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 15.2 | -177.9 | -44.6 | 91.3 | 0 | 0 | 0 | 116.8 | S1782 W1801 D1819 A1820 L1828 T1831 I1832 S1837 P1839 | S1782-W1817 PolarHBondContact O-NE1 3.29Å; W1801-W1817 HydrophobicContact CH2-CZ2 4.09Å; W1801-W1817 AromaticContact CZ2-CZ2 3.89Å; W1801-W1817 HydrophobicContact CZ2-CZ2 3.89Å; W1817-D1819 PolarHBondContact O-N 3.03Å; W1817-A1820 HydrophobicContact CB-CB 4.4Å; W1817-A1820 WeakPolarHBondContact O-CB 3.17Å; W1817-A1820 PolarHBondContact O-N 3.27Å; W1817-A1820 VanDerWaalsContact O-N 3.1Å; W1817-L1828 HydrophobicContact CB-CD1 3.43Å; W1817-L1828 VanDerWaalsContact CB-CD1 3.43Å; W1817-L1828 HydrophobicContact CD2-CD1 4.17Å; W1817-L1828 HydrophobicContact CG-CD1 3.55Å; W1817-T1831 HydrophobicContact CZ3-CG2 4.32Å; W1817-I1832 HydrophobicContact CD2-CG1 4.12Å; W1817-I1832 HydrophobicContact CH2-CG1 4.35Å; W1817-I1832 HydrophobicContact CZ2-CB 4.32Å; W1817-I1832 HydrophobicContact CZ2-CG1 3.68Å; W1817-I1832 HydrophobicContact CZ2-CG2 4.26Å; W1817-S1837 VanDerWaalsContact CH2-O 3.23Å; W1817-S1837 WeakPolarHBondContact CH2-O 3.5Å; W1817-P1839 HydrophobicContact CD2-CB 3.92Å; W1817-P1839 HydrophobicContact CD2-CG 4.26Å; W1817-P1839 HydrophobicContact CE3-CB 4.48Å; W1817-P1839 HydrophobicContact CG-CB 4.17Å; W1817-P1839 HydrophobicContact CH2-CG 4.42Å; W1817-P1839 HydrophobicContact CZ2-CB 4.19Å; W1817-P1839 HydrophobicContact CZ2-CG 3.66Å |
| 1818 | H | 78.6 | Confident | 80.9 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.5 | -178 | 69 | -99.5 | 0 | 0 | 0 | 116.5 | K1814 P1815 P1816 | K1814-H1818 HydrophobicContact CB-CB 3.83Å; K1814-H1818 HydrophobicContact CD-CB 3.94Å; K1814-H1818 WeakPolarHBondContact CD-CD2 3.45Å; K1814-H1818 WeakPolarHBondContact CD-NE2 3.1Å; K1814-H1818 PolarHBondContact NZ-CD2 2.72Å; K1814-H1818 VanDerWaalsContact NZ-CD2 3.27Å; K1814-H1818 PolarHBondContact NZ-NE2 3.21Å; K1814-H1818 VanDerWaalsContact NZ-NE2 3.12Å; P1815-H1818 WeakPolarHBondContact O-CB 3.44Å; P1815-H1818 PolarHBondContact O-N 2.89Å; P1815-H1818 PolarHBondContact O-ND1 3.22Å; P1816-H1818 VanDerWaalsContact C-N 3.33Å; P1816-H1818 PolarHBondContact O-N 3.16Å |
| 1819 | D | 74 | Confident | 80.4 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 32% | 0.316 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -16.8 | -179.9 | 70 | -52.2 | 0 | 0 | 0 | 112.5 | W1817 R1821 T1840 | W1817-D1819 PolarHBondContact O-N 3.03Å; D1819-R1821 PolarHBondContact O-N 3.13Å; D1819-T1840 VanDerWaalsContact CG-CB 3.4Å; D1819-T1840 VanDerWaalsContact CG-OG1 3.24Å; D1819-T1840 VanDerWaalsContact OD1-CB 3.31Å; D1819-T1840 WeakPolarHBondContact OD1-CB 3.47Å; D1819-T1840 PolarHBondContact OD1-OG1 2.75Å; D1819-T1840 WeakPolarHBondContact OD2-CB 2.93Å; D1819-T1840 PolarHBondContact OD2-OG1 2.71Å |
| 1820 | A | 61.9 | Low | 79.8 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 26% | 0.256 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -64.3 | 121.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | W1817 L1822 | W1817-A1820 HydrophobicContact CB-CB 4.4Å; W1817-A1820 WeakPolarHBondContact O-CB 3.17Å; W1817-A1820 PolarHBondContact O-N 3.27Å; W1817-A1820 VanDerWaalsContact O-N 3.1Å; A1820-L1822 HydrophobicContact CB-CD1 3.6Å; A1820-L1822 HydrophobicContact CB-CG 3.78Å; A1820-L1822 PolarHBondContact O-N 2.96Å |
| 1821 | R | 60.2 | Low | 79.2 | Confident | 170 Ų | 170 | 57.6 Ų | 57.6 | 64% | 0.642 | 28% | 0.281 | S | S | * | . | trans | -79 | 49.1 | -172.5 | -69.8 | 170.8 | -72.4 | -171 | -4 | 111.7 | N1122 D1819 | N1122-R1821 PolarHBondContact ND2-O 2.71Å; D1819-R1821 PolarHBondContact O-N 3.13Å | ||
| 1822 | L | 65.9 | Low | 78.9 | Confident | 41 Ų | 41 | 57 Ų | 57 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | trans | -108.1 | 92.4 | -169.1 | -57.7 | 178 | 0 | 0 | 0 | 108.9 | N1122 A1820 N1824 A1827 L1828 T1831 | N1122-L1822 VanDerWaalsContact OD1-CD2 3.27Å; N1122-L1822 WeakPolarHBondContact OD1-CD2 3.42Å; A1820-L1822 HydrophobicContact CB-CD1 3.6Å; A1820-L1822 HydrophobicContact CB-CG 3.78Å; A1820-L1822 PolarHBondContact O-N 2.96Å; L1822-N1824 PolarHBondContact O-N 2.81Å; L1822-A1827 HydrophobicContact CB-CB 4.34Å; L1822-A1827 HydrophobicContact CD2-CB 4.3Å; L1822-L1828 HydrophobicContact CD1-CD1 4.33Å; L1822-T1831 HydrophobicContact CD1-CG2 3.95Å; L1822-T1831 WeakPolarHBondContact CD1-OG1 3.39Å | ||
| 1823 | T | 54.7 | Low | 78.6 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | trans | -80.3 | 6.5 | -173.8 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | P1118 N1122 | P1118-T1823 WeakPolarHBondContact CB-OG1 3.19Å; N1122-T1823 PolarHBondContact ND2-N 2.78Å; N1122-T1823 VanDerWaalsContact ND2-N 3.13Å; N1122-T1823 PolarHBondContact ND2-OG1 3.41Å | ||
| 1824 | N | 69.4 | Low | 78.3 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -138.9 | 143 | -175 | -173.2 | 7.2 | 0 | 0 | 0 | 111.3 | N1122 T1124 L1822 A1827 L1828 | N1122-N1824 HydrophobicContact CB-CB 4.24Å; N1122-N1824 WeakPolarHBondContact O-CB 3.2Å; N1122-N1824 PolarHBondContact O-ND2 3.03Å; T1124-N1824 PolarHBondContact O-ND2 2.91Å; L1822-N1824 PolarHBondContact O-N 2.81Å; N1824-A1827 HydrophobicContact CB-CB 4.28Å; N1824-A1827 VanDerWaalsContact O-CB 3.26Å; N1824-A1827 WeakPolarHBondContact O-CB 3.34Å; N1824-A1827 PolarHBondContact O-N 3.44Å; N1824-L1828 PolarHBondContact O-N 2.82Å |
| 1825 | R | 71.7 | Confident | 78 | Confident | 187 Ų | 187 | 55.2 Ų | 55.2 | 71% | 0.706 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | -174.1 | -64.3 | 177.9 | 179.6 | 167.8 | -0.7 | 112.8 | A1827 L1828 M1829 | R1825-A1827 VanDerWaalsContact C-N 3.28Å; R1825-A1827 PolarHBondContact O-N 3.07Å; R1825-L1828 WeakPolarHBondContact O-CB 3.44Å; R1825-L1828 PolarHBondContact O-N 3.1Å; R1825-M1829 WeakPolarHBondContact O-CG 3.29Å; R1825-M1829 PolarHBondContact O-N 3.28Å |
| 1826 | F | 76.9 | Confident | 77.8 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 25% | 0.254 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.7 | -30.2 | 178.6 | -63 | -121.3 | 0 | 0 | 0 | 112 | T1124 M1125 C1126 M1829 F1830 | T1124-F1826 VanDerWaalsContact C-CD1 3.46Å; T1124-F1826 WeakPolarHBondContact O-CB 3.45Å; T1124-F1826 VanDerWaalsContact O-CG 3.25Å; T1124-F1826 WeakPolarHBondContact O-CG 3.44Å; T1124-F1826 VanDerWaalsContact OG1-CB 3.32Å; T1124-F1826 WeakPolarHBondContact OG1-CB 3.39Å; M1125-F1826 HydrophobicContact CB-CB 3.62Å; M1125-F1826 HydrophobicContact CB-CD1 2.3Å; M1125-F1826 HydrophobicContact CB-CD2 2.31Å; M1125-F1826 HydrophobicContact CB-CE1 2.31Å; M1125-F1826 HydrophobicContact CB-CE2 2.3Å; M1125-F1826 HydrophobicContact CB-CG 2.31Å; M1125-F1826 HydrophobicContact CB-CZ 2.31Å; M1125-F1826 HydrophobicContact CE-CE1 4.46Å; M1125-F1826 HydrophobicContact CG-CB 4.45Å; M1125-F1826 HydrophobicContact CG-CD1 2.79Å; M1125-F1826 HydrophobicContact CG-CD2 3.85Å; M1125-F1826 HydrophobicContact CG-CE1 2.71Å; M1125-F1826 HydrophobicContact CG-CE2 3.78Å; M1125-F1826 HydrophobicContact CG-CG 3.41Å; M1125-F1826 VanDerWaalsContact CG-CG 3.41Å; M1125-F1826 HydrophobicContact CG-CZ 3.25Å; M1125-F1826 VanDerWaalsContact N-CD2 3.34Å; M1125-F1826 WeakPolarHBondContact O-CD2 3.31Å; M1125-F1826 WeakPolarHBondContact O-CE2 3.41Å; M1125-F1826 HydrophobicContact SD-CD1 3.98Å; M1125-F1826 HydrophobicContact SD-CE1 3.1Å; M1125-F1826 WeakPolarHBondContact SD-CE1 3.32Å; M1125-F1826 HydrophobicContact SD-CE2 4.49Å; M1125-F1826 HydrophobicContact SD-CZ 3.42Å; M1125-F1826 WeakPolarHBondContact SD-CZ 3.47Å; C1126-F1826 VanDerWaalsContact N-CE2 3.27Å; F1826-M1829 WeakPolarHBondContact O-CB 3.06Å; F1826-M1829 PolarHBondContact O-N 3.42Å; F1826-F1830 WeakPolarHBondContact O-CB 3.37Å; F1826-F1830 PolarHBondContact O-N 2.98Å |
| 1827 | A | 82.3 | Confident | 77.6 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1122 L1822 N1824 R1825 F1830 T1831 | N1122-A1827 VanDerWaalsContact CA-CB 3.49Å; N1122-A1827 HydrophobicContact CB-CB 3.95Å; L1822-A1827 HydrophobicContact CB-CB 4.34Å; L1822-A1827 HydrophobicContact CD2-CB 4.3Å; N1824-A1827 HydrophobicContact CB-CB 4.28Å; N1824-A1827 VanDerWaalsContact O-CB 3.26Å; N1824-A1827 WeakPolarHBondContact O-CB 3.34Å; N1824-A1827 PolarHBondContact O-N 3.44Å; R1825-A1827 VanDerWaalsContact C-N 3.28Å; R1825-A1827 PolarHBondContact O-N 3.07Å; A1827-F1830 PolarHBondContact O-N 3.25Å; A1827-T1831 WeakPolarHBondContact O-CB 3.27Å; A1827-T1831 PolarHBondContact O-N 3.06Å; A1827-T1831 PolarHBondContact O-OG1 3.36Å |
| 1828 | L | 82.6 | Confident | 77.6 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 171.7 | 177.1 | 57.7 | 0 | 0 | 0 | 110.6 | W1817 L1822 N1824 R1825 F1830 T1831 I1832 | W1817-L1828 HydrophobicContact CB-CD1 3.43Å; W1817-L1828 VanDerWaalsContact CB-CD1 3.43Å; W1817-L1828 HydrophobicContact CD2-CD1 4.17Å; W1817-L1828 HydrophobicContact CG-CD1 3.55Å; L1822-L1828 HydrophobicContact CD1-CD1 4.33Å; N1824-L1828 PolarHBondContact O-N 2.82Å; R1825-L1828 WeakPolarHBondContact O-CB 3.44Å; R1825-L1828 PolarHBondContact O-N 3.1Å; L1828-F1830 PolarHBondContact O-N 3.18Å; L1828-T1831 PolarHBondContact O-N 3.01Å; L1828-I1832 HydrophobicContact CD1-CD1 3.79Å; L1828-I1832 HydrophobicContact CD1-CG1 4.02Å; L1828-I1832 HydrophobicContact CG-CD1 3.8Å; L1828-I1832 HydrophobicContact CG-CG1 4.45Å; L1828-I1832 VanDerWaalsContact O-CG1 3.23Å; L1828-I1832 WeakPolarHBondContact O-CG1 3.5Å; L1828-I1832 PolarHBondContact O-N 3.31Å |
| 1829 | M | 84.5 | Confident | 78.1 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 175.4 | -67.1 | 166.3 | 69.9 | 0 | 0 | 112.5 | M1125 V1777 F1781 L1789 R1825 F1826 T1831 I1832 A1833 | M1125-M1829 HydrophobicContact CB-SD 4.15Å; M1125-M1829 HydrophobicContact CE-CE 4.13Å; M1125-M1829 HydrophobicContact CG-CE 3.74Å; M1125-M1829 HydrophobicContact CG-SD 3.7Å; V1777-M1829 HydrophobicContact CG1-CE 4.45Å; F1781-M1829 HydrophobicContact CB-CG 3.86Å; F1781-M1829 HydrophobicContact CB-SD 4.29Å; F1781-M1829 HydrophobicContact CD1-CE 3.52Å; F1781-M1829 HydrophobicContact CD1-CG 3.85Å; F1781-M1829 HydrophobicContact CD1-SD 3.44Å; F1781-M1829 WeakPolarHBondContact CD1-SD 3.22Å; F1781-M1829 HydrophobicContact CD2-SD 4.16Å; F1781-M1829 HydrophobicContact CE1-CE 3.46Å; F1781-M1829 VanDerWaalsContact CE1-CE 3.46Å; F1781-M1829 HydrophobicContact CE1-SD 3.67Å; F1781-M1829 HydrophobicContact CE2-SD 4.35Å; F1781-M1829 HydrophobicContact CG-CE 4.4Å; F1781-M1829 HydrophobicContact CG-CG 3.94Å; F1781-M1829 HydrophobicContact CG-SD 3.71Å; F1781-M1829 HydrophobicContact CZ-CE 4.28Å; F1781-M1829 HydrophobicContact CZ-SD 4.13Å; L1789-M1829 HydrophobicContact CD2-CB 4.06Å; L1789-M1829 HydrophobicContact CD2-CE 3.7Å; L1789-M1829 HydrophobicContact CD2-CG 3.85Å; R1825-M1829 WeakPolarHBondContact O-CG 3.29Å; R1825-M1829 PolarHBondContact O-N 3.28Å; F1826-M1829 WeakPolarHBondContact O-CB 3.06Å; F1826-M1829 PolarHBondContact O-N 3.42Å; M1829-T1831 VanDerWaalsContact C-N 3.33Å; M1829-T1831 PolarHBondContact O-N 3.23Å; M1829-I1832 PolarHBondContact O-N 3.34Å; M1829-A1833 WeakPolarHBondContact O-CB 3.39Å; M1829-A1833 PolarHBondContact O-N 2.94Å |
| 1830 | F | 84.5 | Confident | 78.8 | Confident | 127 Ų | 127 | 59.1 Ų | 59.1 | 56% | 0.557 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | 177 | -174.7 | -95.8 | 0 | 0 | 0 | 111.5 | F1826 A1827 L1828 A1833 T1834 | F1826-F1830 WeakPolarHBondContact O-CB 3.37Å; F1826-F1830 PolarHBondContact O-N 2.98Å; A1827-F1830 PolarHBondContact O-N 3.25Å; L1828-F1830 PolarHBondContact O-N 3.18Å; F1830-A1833 PolarHBondContact O-N 3.44Å; F1830-T1834 HydrophobicContact CD1-CG2 4.45Å; F1830-T1834 HydrophobicContact CD2-CG2 4.05Å; F1830-T1834 HydrophobicContact CE1-CG2 4.19Å; F1830-T1834 WeakPolarHBondContact CE1-OG1 3.13Å; F1830-T1834 HydrophobicContact CE2-CG2 3.77Å; F1830-T1834 HydrophobicContact CG-CG2 4.39Å; F1830-T1834 HydrophobicContact CZ-CG2 3.84Å; F1830-T1834 WeakPolarHBondContact O-CB 3.34Å; F1830-T1834 WeakPolarHBondContact O-CG2 3.48Å; F1830-T1834 PolarHBondContact O-N 3.23Å; F1830-T1834 PolarHBondContact O-OG1 2.92Å |
| 1831 | T | 85.6 | Confident | 80.1 | Confident | 30 Ų | 30 | 60 Ų | 60 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 176.5 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | W1817 L1822 A1827 L1828 M1829 A1833 T1834 S1835 | W1817-T1831 HydrophobicContact CZ3-CG2 4.32Å; L1822-T1831 HydrophobicContact CD1-CG2 3.95Å; L1822-T1831 WeakPolarHBondContact CD1-OG1 3.39Å; A1827-T1831 WeakPolarHBondContact O-CB 3.27Å; A1827-T1831 PolarHBondContact O-N 3.06Å; A1827-T1831 PolarHBondContact O-OG1 3.36Å; L1828-T1831 PolarHBondContact O-N 3.01Å; M1829-T1831 VanDerWaalsContact C-N 3.33Å; M1829-T1831 PolarHBondContact O-N 3.23Å; T1831-A1833 VanDerWaalsContact C-N 3.3Å; T1831-A1833 PolarHBondContact O-N 2.77Å; T1831-T1834 PolarHBondContact O-N 2.8Å; T1831-S1835 WeakPolarHBondContact O-CB 3.47Å; T1831-S1835 PolarHBondContact O-N 2.85Å |
| 1832 | I | 89 | Confident | 81.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 176.4 | -61.5 | 163 | 0 | 0 | 0 | 110.6 | F1781 P1786 L1789 W1801 W1817 L1828 M1829 R1859 | F1781-I1832 VanDerWaalsContact O-CD1 3.29Å; F1781-I1832 WeakPolarHBondContact O-CD1 3.49Å; P1786-I1832 HydrophobicContact CG-CG2 4.32Å; L1789-I1832 HydrophobicContact CD1-CB 3.56Å; L1789-I1832 HydrophobicContact CD1-CD1 4.13Å; L1789-I1832 HydrophobicContact CD1-CG1 4.45Å; L1789-I1832 HydrophobicContact CD1-CG2 3.48Å; L1789-I1832 VanDerWaalsContact CD1-CG2 3.48Å; W1801-I1832 HydrophobicContact CZ2-CG2 4.1Å; W1817-I1832 HydrophobicContact CD2-CG1 4.12Å; W1817-I1832 HydrophobicContact CH2-CG1 4.35Å; W1817-I1832 HydrophobicContact CZ2-CB 4.32Å; W1817-I1832 HydrophobicContact CZ2-CG1 3.68Å; W1817-I1832 HydrophobicContact CZ2-CG2 4.26Å; L1828-I1832 HydrophobicContact CD1-CD1 3.79Å; L1828-I1832 HydrophobicContact CD1-CG1 4.02Å; L1828-I1832 HydrophobicContact CG-CD1 3.8Å; L1828-I1832 HydrophobicContact CG-CG1 4.45Å; L1828-I1832 VanDerWaalsContact O-CG1 3.23Å; L1828-I1832 WeakPolarHBondContact O-CG1 3.5Å; L1828-I1832 PolarHBondContact O-N 3.31Å; M1829-I1832 PolarHBondContact O-N 3.34Å; I1832-R1859 PolarHBondContact O-NH1 3.45Å; I1832-R1859 PolarHBondContact O-NH2 2.67Å |
| 1833 | A | 87.6 | Confident | 82.4 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1789 R1790 M1829 F1830 T1831 | L1789-A1833 HydrophobicContact CB-CB 4.15Å; R1790-A1833 HydrophobicContact CG-CB 4.07Å; R1790-A1833 PolarHBondContact NE-O 2.9Å; R1790-A1833 PolarHBondContact NH2-O 3.34Å; M1829-A1833 WeakPolarHBondContact O-CB 3.39Å; M1829-A1833 PolarHBondContact O-N 2.94Å; F1830-A1833 PolarHBondContact O-N 3.44Å; T1831-A1833 VanDerWaalsContact C-N 3.3Å; T1831-A1833 PolarHBondContact O-N 2.77Å |
| 1834 | T | 85.7 | Confident | 84 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -111.8 | -20.4 | -166.2 | 65.4 | 0 | 0 | 0 | 0 | 116.2 | F1830 T1831 | F1830-T1834 HydrophobicContact CD1-CG2 4.45Å; F1830-T1834 HydrophobicContact CD2-CG2 4.05Å; F1830-T1834 HydrophobicContact CE1-CG2 4.19Å; F1830-T1834 WeakPolarHBondContact CE1-OG1 3.13Å; F1830-T1834 HydrophobicContact CE2-CG2 3.77Å; F1830-T1834 HydrophobicContact CG-CG2 4.39Å; F1830-T1834 HydrophobicContact CZ-CG2 3.84Å; F1830-T1834 WeakPolarHBondContact O-CB 3.34Å; F1830-T1834 WeakPolarHBondContact O-CG2 3.48Å; F1830-T1834 PolarHBondContact O-N 3.23Å; F1830-T1834 PolarHBondContact O-OG1 2.92Å; T1831-T1834 PolarHBondContact O-N 2.8Å |
| 1835 | S | 82.7 | Confident | 85.2 | Confident | 36 Ų | 36 | 64.6 Ų | 64.6 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | trans | -69 | 170.5 | 177.7 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | T1831 S1837 R1859 | T1831-S1835 WeakPolarHBondContact O-CB 3.47Å; T1831-S1835 PolarHBondContact O-N 2.85Å; S1835-S1837 PolarHBondContact OG-N 3.49Å; S1835-S1837 PolarHBondContact OG-OG 3.29Å; S1835-R1859 VanDerWaalsContact O-CZ 3.31Å; S1835-R1859 PolarHBondContact O-NE 3.47Å; S1835-R1859 VanDerWaalsContact O-NE 3.15Å; S1835-R1859 PolarHBondContact O-NH2 2.84Å | ||
| 1836 | N | 81.1 | Confident | 86.2 | Confident | 140 Ų | 140 | 58.3 Ų | 58.3 | 75% | 0.749 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -110.9 | -1.4 | 162.4 | -72.7 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 1837 | S | 82.8 | Confident | 86.9 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -75 | 139.6 | 172.8 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | W1817 S1835 | W1817-S1837 VanDerWaalsContact CH2-O 3.23Å; W1817-S1837 WeakPolarHBondContact CH2-O 3.5Å; S1835-S1837 PolarHBondContact OG-N 3.49Å; S1835-S1837 PolarHBondContact OG-OG 3.29Å |
| 1838 | P | 88.1 | Confident | 87.3 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 29% | 0.292 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 173.2 | 160.7 | 33.1 | -35.6 | 0 | 0 | 0 | 111 | Y1841 F1857 | P1838-Y1841 HydrophobicContact CG-CE1 4.46Å; P1838-F1857 HydrophobicContact CB-CB 3.82Å; P1838-F1857 HydrophobicContact CB-CD2 3.81Å; P1838-F1857 HydrophobicContact CB-CG 3.99Å |
| 1839 | P | 89.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 136 | 166.2 | -5.1 | 18.8 | 0 | 0 | 0 | 110.2 | P1816 W1817 Y1841 F1857 | P1816-P1839 HydrophobicContact CB-CB 4.05Å; P1816-P1839 HydrophobicContact CB-CG 4.42Å; W1817-P1839 HydrophobicContact CD2-CB 3.92Å; W1817-P1839 HydrophobicContact CD2-CG 4.26Å; W1817-P1839 HydrophobicContact CE3-CB 4.48Å; W1817-P1839 HydrophobicContact CG-CB 4.17Å; W1817-P1839 HydrophobicContact CH2-CG 4.42Å; W1817-P1839 HydrophobicContact CZ2-CB 4.19Å; W1817-P1839 HydrophobicContact CZ2-CG 3.66Å; P1839-Y1841 PolarHBondContact O-N 2.87Å; P1839-F1857 HydrophobicContact CG-CD1 4.14Å; P1839-F1857 HydrophobicContact CG-CE1 3.65Å; P1839-F1857 HydrophobicContact CG-CE2 4.13Å; P1839-F1857 HydrophobicContact CG-CZ 3.64Å |
| 1840 | T | 88.2 | Confident | 88.3 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 124.6 | -176.9 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | D1819 | D1819-T1840 VanDerWaalsContact CG-CB 3.4Å; D1819-T1840 VanDerWaalsContact CG-OG1 3.24Å; D1819-T1840 VanDerWaalsContact OD1-CB 3.31Å; D1819-T1840 WeakPolarHBondContact OD1-CB 3.47Å; D1819-T1840 PolarHBondContact OD1-OG1 2.75Å; D1819-T1840 WeakPolarHBondContact OD2-CB 2.93Å; D1819-T1840 PolarHBondContact OD2-OG1 2.71Å |
| 1841 | Y | 89.9 | Confident | 88.7 | Confident | 48 Ų | 48 | 59.3 Ų | 59.3 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | trans | -109.8 | 164.4 | 172.4 | 48.3 | -107.5 | 0 | 0 | 0 | 111.5 | P1838 P1839 L1845 I1850 L1853 D1854 F1857 | P1838-Y1841 HydrophobicContact CG-CE1 4.46Å; P1839-Y1841 PolarHBondContact O-N 2.87Å; Y1841-L1845 HydrophobicContact CD2-CD1 3.9Å; Y1841-L1845 HydrophobicContact CG-CD1 4.34Å; Y1841-I1850 HydrophobicContact CE2-CG1 4.37Å; Y1841-I1850 HydrophobicContact CE2-CG2 4.49Å; Y1841-L1853 HydrophobicContact CD1-CB 4.28Å; Y1841-L1853 HydrophobicContact CD1-CD1 3.86Å; Y1841-L1853 HydrophobicContact CD2-CD1 4.24Å; Y1841-L1853 HydrophobicContact CE1-CB 4.07Å; Y1841-L1853 HydrophobicContact CE1-CD1 4.3Å; Y1841-L1853 HydrophobicContact CG-CD1 3.81Å; Y1841-D1854 PolarHBondContact OH-OD1 2.89Å; Y1841-F1857 HydrophobicContact CD1-CE2 4.35Å | ||
| 1842 | P | 89.9 | Confident | 89.2 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | trans | -57.1 | 146.4 | 176.9 | -25.2 | 35 | 0 | 0 | 0 | 112.7 | L1811 T1812 L1845 | L1811-P1842 HydrophobicContact CB-CG 4.31Å; T1812-P1842 HydrophobicContact CG2-CG 4.16Å; P1842-L1845 HydrophobicContact CB-CD2 4.28Å; P1842-L1845 HydrophobicContact CB-CG 4.22Å; P1842-L1845 WeakPolarHBondContact O-CD1 3.42Å; P1842-L1845 WeakPolarHBondContact O-CG 3.47Å | ||
| 1843 | K | 84.9 | Confident | 89.6 | Confident | 195 Ų | 195 | 57.9 Ų | 57.9 | 85% | 0.848 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -78.9 | -24.4 | -178.7 | -65 | -173.2 | 178.4 | -175.8 | 0 | 113.8 | L1845 | K1843-L1845 VanDerWaalsContact C-N 3.28Å; K1843-L1845 PolarHBondContact O-N 3.42Å |
| 1844 | D | 88.7 | Confident | 89.9 | Confident | 160 Ų | 160 | 60.8 Ų | 60.8 | 86% | 0.856 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -93.3 | 40.4 | -173.7 | -52.7 | -55.6 | 0 | 0 | 0 | 112.1 | ||
| 1845 | L | 92.6 | Very high | 90.4 | Very high | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | trans | -94 | 155.6 | 178.2 | -63.4 | 176.9 | 0 | 0 | 0 | 112 | E1711 L1811 Y1841 P1842 K1843 L1849 I1850 L1853 | E1711-L1845 HydrophobicContact CG-CD2 3.9Å; E1711-L1845 WeakPolarHBondContact OE1-CA 3.48Å; L1811-L1845 HydrophobicContact CD1-CD1 4.02Å; L1811-L1845 HydrophobicContact CD1-CD2 4.16Å; L1811-L1845 HydrophobicContact CD2-CD2 3.94Å; Y1841-L1845 HydrophobicContact CD2-CD1 3.9Å; Y1841-L1845 HydrophobicContact CG-CD1 4.34Å; P1842-L1845 HydrophobicContact CB-CD2 4.28Å; P1842-L1845 HydrophobicContact CB-CG 4.22Å; P1842-L1845 WeakPolarHBondContact O-CD1 3.42Å; P1842-L1845 WeakPolarHBondContact O-CG 3.47Å; K1843-L1845 VanDerWaalsContact C-N 3.28Å; K1843-L1845 PolarHBondContact O-N 3.42Å; L1845-L1849 HydrophobicContact CD1-CD2 4.49Å; L1845-L1849 HydrophobicContact CD2-CD2 4.12Å; L1845-I1850 HydrophobicContact CB-CD1 4.2Å; L1845-I1850 HydrophobicContact CB-CG1 3.9Å; L1845-L1853 HydrophobicContact CD1-CD1 3.76Å | ||
| 1846 | T | 92.7 | Very high | 91 | Very high | 56 Ų | 56 | 56 Ų | 56 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | trans | -63.7 | 142.6 | 170.5 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | E1711 D1848 L1849 I1850 | E1711-T1846 PolarHBondContact OE1-N 2.92Å; E1711-T1846 WeakPolarHBondContact OE2-CB 3.16Å; E1711-T1846 VanDerWaalsContact OE2-CG2 3.31Å; E1711-T1846 WeakPolarHBondContact OE2-CG2 3.43Å; E1711-T1846 PolarHBondContact OE2-N 3.46Å; E1711-T1846 PolarHBondContact OE2-OG1 2.91Å; T1846-D1848 PolarHBondContact O-N 3.24Å; T1846-L1849 PolarHBondContact O-N 2.72Å; T1846-L1849 WeakPolarHBondContact OG1-CB 3.17Å; T1846-I1850 PolarHBondContact O-N 3.47Å | ||
| 1847 | T | 91.9 | Very high | 91.7 | Very high | 116 Ų | 116 | 49.7 Ų | 49.7 | 71% | 0.712 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.6 | -36.5 | 179.6 | -46.4 | 0 | 0 | 0 | 0 | 112.6 | L1849 I1850 A1851 | T1847-L1849 VanDerWaalsContact C-N 3.29Å; T1847-L1849 PolarHBondContact O-N 3.34Å; T1847-I1850 PolarHBondContact O-N 2.72Å; T1847-A1851 PolarHBondContact O-N 2.81Å |
| 1848 | D | 91.2 | Very high | 92.3 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -34 | 176.9 | -50.2 | -35.7 | 0 | 0 | 0 | 112.1 | T1846 V1852 V1875 R1878 | T1846-D1848 PolarHBondContact O-N 3.24Å; D1848-V1852 PolarHBondContact O-N 2.78Å; D1848-V1875 HydrophobicContact CB-CB 3.65Å; D1848-V1875 HydrophobicContact CB-CG2 4.22Å; D1848-R1878 IonicContact OD2-CZ 2.8Å; D1848-R1878 IonicContact OD2-NH1 3.9Å; D1848-R1878 PolarHBondContact OD2-NH1 3.38Å; D1848-R1878 IonicContact OD2-NH2 3.7Å; D1848-R1878 PolarHBondContact OD2-NH2 3.36Å |
| 1849 | L | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -81.2 | -34.7 | 176.9 | 174.5 | 58.4 | 0 | 0 | 0 | 112.1 | E1711 L1715 L1811 L1845 T1846 T1847 A1851 V1852 L1853 | E1711-L1849 HydrophobicContact CB-CD2 4.18Å; E1711-L1849 HydrophobicContact CG-CD2 3.65Å; E1711-L1849 WeakPolarHBondContact OE2-CD2 3.41Å; L1715-L1849 HydrophobicContact CD2-CD1 4.04Å; L1811-L1849 HydrophobicContact CD1-CD2 4.1Å; L1811-L1849 HydrophobicContact CD2-CD2 4.33Å; L1845-L1849 HydrophobicContact CD1-CD2 4.49Å; L1845-L1849 HydrophobicContact CD2-CD2 4.12Å; T1846-L1849 PolarHBondContact O-N 2.72Å; T1846-L1849 WeakPolarHBondContact OG1-CB 3.17Å; T1847-L1849 VanDerWaalsContact C-N 3.29Å; T1847-L1849 PolarHBondContact O-N 3.34Å; L1849-A1851 VanDerWaalsContact C-N 3.31Å; L1849-V1852 HydrophobicContact CD1-CB 4.49Å; L1849-V1852 HydrophobicContact CD1-CG1 4.37Å; L1849-V1852 WeakPolarHBondContact O-CB 3.27Å; L1849-V1852 PolarHBondContact O-N 2.78Å; L1849-L1853 HydrophobicContact CD1-CG 4.34Å; L1849-L1853 HydrophobicContact CG-CD1 4.41Å; L1849-L1853 WeakPolarHBondContact O-CG 3.43Å; L1849-L1853 PolarHBondContact O-N 3.34Å |
| 1850 | I | 94.4 | Very high | 92.5 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | 171.2 | -66.8 | 170.2 | 0 | 0 | 0 | 109.8 | Y1841 L1845 T1846 T1847 V1852 L1853 D1854 | Y1841-I1850 HydrophobicContact CE2-CG1 4.37Å; Y1841-I1850 HydrophobicContact CE2-CG2 4.49Å; L1845-I1850 HydrophobicContact CB-CD1 4.2Å; L1845-I1850 HydrophobicContact CB-CG1 3.9Å; T1846-I1850 PolarHBondContact O-N 3.47Å; T1847-I1850 PolarHBondContact O-N 2.72Å; I1850-V1852 VanDerWaalsContact C-N 3.3Å; I1850-V1852 PolarHBondContact O-N 2.9Å; I1850-L1853 PolarHBondContact O-N 2.72Å; I1850-L1853 VanDerWaalsContact O-N 3.09Å; I1850-D1854 WeakPolarHBondContact CG2-OD2 3.1Å; I1850-D1854 PolarHBondContact O-N 3.28Å |
| 1851 | A | 93.5 | Very high | 92.7 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1847 L1849 A1855 | T1847-A1851 PolarHBondContact O-N 2.81Å; L1849-A1851 VanDerWaalsContact C-N 3.31Å; A1851-A1855 WeakPolarHBondContact O-CB 3.34Å; A1851-A1855 PolarHBondContact O-N 3.09Å; A1851-A1855 VanDerWaalsContact O-N 3.09Å |
| 1852 | V | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 172 | 158.3 | 0 | 0 | 0 | 0 | 111.8 | L1807 D1848 L1849 I1850 C1856 L1870 Y1873 V1875 F1876 | L1807-V1852 HydrophobicContact CD1-CG1 3.83Å; D1848-V1852 PolarHBondContact O-N 2.78Å; L1849-V1852 HydrophobicContact CD1-CB 4.49Å; L1849-V1852 HydrophobicContact CD1-CG1 4.37Å; L1849-V1852 WeakPolarHBondContact O-CB 3.27Å; L1849-V1852 PolarHBondContact O-N 2.78Å; I1850-V1852 VanDerWaalsContact C-N 3.3Å; I1850-V1852 PolarHBondContact O-N 2.9Å; V1852-C1856 WeakPolarHBondContact O-CB 3.26Å; V1852-C1856 PolarHBondContact O-N 3.44Å; V1852-L1870 HydrophobicContact CG1-CD1 4.25Å; V1852-L1870 HydrophobicContact CG2-CD1 4.42Å; V1852-Y1873 HydrophobicContact CB-CD1 4.48Å; V1852-Y1873 HydrophobicContact CG2-CD1 3.54Å; V1852-Y1873 HydrophobicContact CG2-CE1 4.44Å; V1852-Y1873 HydrophobicContact CG2-CG 3.9Å; V1852-V1875 HydrophobicContact CG2-CG1 3.68Å; V1852-F1876 HydrophobicContact CB-CE2 4.35Å; V1852-F1876 HydrophobicContact CG1-CE2 3.69Å; V1852-F1876 HydrophobicContact CG1-CZ 4.01Å; V1852-F1876 HydrophobicContact CG2-CD2 4.05Å; V1852-F1876 HydrophobicContact CG2-CE2 3.67Å |
| 1853 | L | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -46.6 | -179.3 | -70 | 172.3 | 0 | 0 | 0 | 111.5 | L1807 V1808 L1811 Y1841 L1845 L1849 I1850 A1855 C1856 F1857 | L1807-L1853 HydrophobicContact CB-CD2 3.78Å; L1807-L1853 HydrophobicContact CD1-CD2 4.16Å; V1808-L1853 HydrophobicContact CG2-CD2 3.99Å; L1811-L1853 HydrophobicContact CD1-CD1 4.22Å; Y1841-L1853 HydrophobicContact CD1-CB 4.28Å; Y1841-L1853 HydrophobicContact CD1-CD1 3.86Å; Y1841-L1853 HydrophobicContact CD2-CD1 4.24Å; Y1841-L1853 HydrophobicContact CE1-CB 4.07Å; Y1841-L1853 HydrophobicContact CE1-CD1 4.3Å; Y1841-L1853 HydrophobicContact CG-CD1 3.81Å; L1845-L1853 HydrophobicContact CD1-CD1 3.76Å; L1849-L1853 HydrophobicContact CD1-CG 4.34Å; L1849-L1853 HydrophobicContact CG-CD1 4.41Å; L1849-L1853 WeakPolarHBondContact O-CG 3.43Å; L1849-L1853 PolarHBondContact O-N 3.34Å; I1850-L1853 PolarHBondContact O-N 2.72Å; I1850-L1853 VanDerWaalsContact O-N 3.09Å; L1853-A1855 VanDerWaalsContact C-N 3.34Å; L1853-A1855 PolarHBondContact O-N 3.12Å; L1853-C1856 WeakPolarHBondContact O-CB 3.25Å; L1853-C1856 PolarHBondContact O-N 3.1Å; L1853-F1857 HydrophobicContact CB-CD2 4.33Å; L1853-F1857 HydrophobicContact CB-CE2 4.21Å; L1853-F1857 HydrophobicContact CD2-CE2 4.13Å; L1853-F1857 WeakPolarHBondContact O-CB 3.29Å; L1853-F1857 WeakPolarHBondContact O-CD2 3.04Å; L1853-F1857 WeakPolarHBondContact O-CG 3.48Å; L1853-F1857 PolarHBondContact O-N 3.06Å |
| 1854 | D | 94.3 | Very high | 93.6 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 39% | 0.39 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | -179.9 | -68.3 | -17.5 | 0 | 0 | 0 | 111.5 | Y1841 I1850 F1857 A1858 | Y1841-D1854 PolarHBondContact OH-OD1 2.89Å; I1850-D1854 WeakPolarHBondContact CG2-OD2 3.1Å; I1850-D1854 PolarHBondContact O-N 3.28Å; D1854-F1857 CarbonylContact O-C 3.45Å; D1854-F1857 PolarHBondContact O-N 3.34Å; D1854-A1858 PolarHBondContact O-N 3.42Å |
| 1855 | A | 95.6 | Very high | 93.9 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1851 L1853 F1857 P1865 Y1873 | A1851-A1855 WeakPolarHBondContact O-CB 3.34Å; A1851-A1855 PolarHBondContact O-N 3.09Å; A1851-A1855 VanDerWaalsContact O-N 3.09Å; L1853-A1855 VanDerWaalsContact C-N 3.34Å; L1853-A1855 PolarHBondContact O-N 3.12Å; A1855-F1857 VanDerWaalsContact C-N 3.29Å; A1855-F1857 PolarHBondContact O-N 2.92Å; A1855-P1865 HydrophobicContact CB-CG 4.17Å; A1855-Y1873 HydrophobicContact CB-CE1 3.86Å; A1855-Y1873 VanDerWaalsContact CB-OH 3.23Å; A1855-Y1873 WeakPolarHBondContact CB-OH 3.44Å |
| 1856 | C | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -31.6 | 170.7 | -85 | 0 | 0 | 0 | 0 | 112.7 | I1800 W1801 V1852 L1853 R1864 | I1800-C1856 PolarHBondContact O-SG 2.79Å; W1801-C1856 WeakPolarHBondContact CA-O 2.95Å; V1852-C1856 WeakPolarHBondContact O-CB 3.26Å; V1852-C1856 PolarHBondContact O-N 3.44Å; L1853-C1856 WeakPolarHBondContact O-CB 3.25Å; L1853-C1856 PolarHBondContact O-N 3.1Å; C1856-R1864 WeakPolarHBondContact O-CD 2.98Å |
| 1857 | F | 96 | Very high | 94.2 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 11.3 | -176 | -60.5 | -45.1 | 0 | 0 | 0 | 115.2 | W1801 G1804 V1808 P1838 P1839 Y1841 L1853 D1854 A1855 R1859 | W1801-F1857 HydrophobicContact CD2-CD1 4.06Å; W1801-F1857 HydrophobicContact CE3-CB 4.38Å; W1801-F1857 AromaticContact CE3-CD1 3.82Å; W1801-F1857 HydrophobicContact CE3-CD1 3.82Å; W1801-F1857 HydrophobicContact CH2-CB 4.48Å; W1801-F1857 AromaticContact CH2-CD1 3.92Å; W1801-F1857 HydrophobicContact CH2-CD1 3.92Å; W1801-F1857 HydrophobicContact CZ2-CD1 4.22Å; W1801-F1857 HydrophobicContact CZ3-CB 3.9Å; W1801-F1857 AromaticContact CZ3-CD1 3.75Å; W1801-F1857 HydrophobicContact CZ3-CD1 3.75Å; W1801-F1857 HydrophobicContact CZ3-CG 4.27Å; W1801-F1857 WeakPolarHBondContact CZ3-O 3.2Å; G1804-F1857 WeakPolarHBondContact O-CZ 3.47Å; V1808-F1857 HydrophobicContact CG2-CE2 3.76Å; V1808-F1857 HydrophobicContact CG2-CZ 3.68Å; P1838-F1857 HydrophobicContact CB-CB 3.82Å; P1838-F1857 HydrophobicContact CB-CD2 3.81Å; P1838-F1857 HydrophobicContact CB-CG 3.99Å; P1839-F1857 HydrophobicContact CG-CD1 4.14Å; P1839-F1857 HydrophobicContact CG-CE1 3.65Å; P1839-F1857 HydrophobicContact CG-CE2 4.13Å; P1839-F1857 HydrophobicContact CG-CZ 3.64Å; Y1841-F1857 HydrophobicContact CD1-CE2 4.35Å; L1853-F1857 HydrophobicContact CB-CD2 4.33Å; L1853-F1857 HydrophobicContact CB-CE2 4.21Å; L1853-F1857 HydrophobicContact CD2-CE2 4.13Å; L1853-F1857 WeakPolarHBondContact O-CB 3.29Å; L1853-F1857 WeakPolarHBondContact O-CD2 3.04Å; L1853-F1857 WeakPolarHBondContact O-CG 3.48Å; L1853-F1857 PolarHBondContact O-N 3.06Å; D1854-F1857 CarbonylContact O-C 3.45Å; D1854-F1857 PolarHBondContact O-N 3.34Å; A1855-F1857 VanDerWaalsContact C-N 3.29Å; A1855-F1857 PolarHBondContact O-N 2.92Å; F1857-R1859 PolarHBondContact O-N 3.47Å |
| 1858 | A | 94.6 | Very high | 94.3 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | trans | -54.2 | 127.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1854 N1860 D1863 R1864 | D1854-A1858 PolarHBondContact O-N 3.42Å; A1858-N1860 VanDerWaalsContact C-N 3.34Å; A1858-N1860 PolarHBondContact O-N 3.42Å; A1858-D1863 HydrophobicContact CB-CB 3.88Å; A1858-R1864 HydrophobicContact CB-CG 3.95Å; A1858-R1864 PolarHBondContact O-NE 3.48Å; A1858-R1864 PolarHBondContact O-NH2 3.45Å; A1858-R1864 VanDerWaalsContact O-NH2 3.15Å | ||
| 1859 | R | 91.6 | Very high | 94.5 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -72.8 | -28.3 | -168.4 | -57.4 | -60.4 | -90.8 | 164.2 | -3.3 | 112.8 | I1832 S1835 F1857 | I1832-R1859 PolarHBondContact O-NH1 3.45Å; I1832-R1859 PolarHBondContact O-NH2 2.67Å; S1835-R1859 VanDerWaalsContact O-CZ 3.31Å; S1835-R1859 PolarHBondContact O-NE 3.47Å; S1835-R1859 VanDerWaalsContact O-NE 3.15Å; S1835-R1859 PolarHBondContact O-NH2 2.84Å; F1857-R1859 PolarHBondContact O-N 3.47Å |
| 1860 | N | 90.4 | Very high | 94.5 | Very high | 69 Ų | 69 | 40.4 Ų | 40.4 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -82.8 | 127.1 | 167.5 | 171.4 | 17 | 0 | 0 | 0 | 109.1 | A1858 S1862 D1863 | A1858-N1860 VanDerWaalsContact C-N 3.34Å; A1858-N1860 PolarHBondContact O-N 3.42Å; N1860-S1862 PolarHBondContact O-N 2.88Å; N1860-S1862 PolarHBondContact OD1-N 3.15Å; N1860-S1862 VanDerWaalsContact OD1-N 3.13Å; N1860-D1863 HydrophobicContact CB-CB 4.44Å; N1860-D1863 VanDerWaalsContact CB-OD2 3.28Å; N1860-D1863 WeakPolarHBondContact CB-OD2 3.17Å; N1860-D1863 PolarHBondContact ND2-OD1 2.9Å; N1860-D1863 PolarHBondContact ND2-OD2 2.71Å; N1860-D1863 VanDerWaalsContact ND2-OD2 3.07Å; N1860-D1863 PolarHBondContact O-N 3.36Å |
| 1861 | P | 92.7 | Very high | 94.5 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -63.6 | -26.3 | 179.6 | 25 | -34.3 | 0 | 0 | 0 | 113.8 | E1787 A1797 D1863 R1864 | E1787-P1861 HydrophobicContact CB-CG 4.49Å; E1787-P1861 HydrophobicContact CG-CB 4.34Å; E1787-P1861 HydrophobicContact CG-CG 4.34Å; A1797-P1861 HydrophobicContact CB-CB 3.67Å; A1797-P1861 WeakPolarHBondContact CB-O 3.45Å; P1861-D1863 VanDerWaalsContact C-N 3.3Å; P1861-D1863 PolarHBondContact O-N 2.67Å; P1861-R1864 PolarHBondContact O-N 3.33Å |
| 1862 | S | 92.1 | Very high | 94.5 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 68% | 0.678 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -71.1 | -23.4 | 179.2 | -56.6 | 0 | 0 | 0 | 0 | 113.7 | N1860 R1864 | N1860-S1862 PolarHBondContact O-N 2.88Å; N1860-S1862 PolarHBondContact OD1-N 3.15Å; N1860-S1862 VanDerWaalsContact OD1-N 3.13Å; S1862-R1864 VanDerWaalsContact C-N 3.29Å |
| 1863 | D | 93.8 | Very high | 94.4 | Very high | 107 Ų | 107 | 45.6 Ų | 45.6 | 57% | 0.572 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -84.8 | -6.2 | -178.2 | -58 | -14.9 | 0 | 0 | 0 | 112.1 | A1858 N1860 P1861 | A1858-D1863 HydrophobicContact CB-CB 3.88Å; N1860-D1863 HydrophobicContact CB-CB 4.44Å; N1860-D1863 VanDerWaalsContact CB-OD2 3.28Å; N1860-D1863 WeakPolarHBondContact CB-OD2 3.17Å; N1860-D1863 PolarHBondContact ND2-OD1 2.9Å; N1860-D1863 PolarHBondContact ND2-OD2 2.71Å; N1860-D1863 VanDerWaalsContact ND2-OD2 3.07Å; N1860-D1863 PolarHBondContact O-N 3.36Å; P1861-D1863 VanDerWaalsContact C-N 3.3Å; P1861-D1863 PolarHBondContact O-N 2.67Å |
| 1864 | R | 96.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 6% | 0.057 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -84.4 | 133.5 | 178.4 | -58.9 | -176.1 | -158.8 | 134.6 | 15.8 | 110.4 | E1787 A1797 I1800 C1856 A1858 P1861 S1862 | E1787-R1864 IonicContact OE1-CZ 3.97Å; E1787-R1864 IonicContact OE1-NH1 3.19Å; E1787-R1864 PolarHBondContact OE1-NH1 3.4Å; E1787-R1864 IonicContact OE1-NH2 3.54Å; E1787-R1864 IonicContact OE2-CZ 3.92Å; E1787-R1864 IonicContact OE2-NH1 3.58Å; E1787-R1864 PolarHBondContact OE2-NH1 2.99Å; E1787-R1864 IonicContact OE2-NH2 2.76Å; E1787-R1864 PolarHBondContact OE2-NH2 3.24Å; A1797-R1864 PolarHBondContact O-NH1 3.26Å; I1800-R1864 HydrophobicContact CG2-CB 4.22Å; C1856-R1864 WeakPolarHBondContact O-CD 2.98Å; A1858-R1864 HydrophobicContact CB-CG 3.95Å; A1858-R1864 PolarHBondContact O-NE 3.48Å; A1858-R1864 PolarHBondContact O-NH2 3.45Å; A1858-R1864 VanDerWaalsContact O-NH2 3.15Å; P1861-R1864 PolarHBondContact O-N 3.33Å; S1862-R1864 VanDerWaalsContact C-N 3.29Å |
| 1865 | P | 95.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 146.6 | 177.5 | 28.5 | -35.7 | 0 | 0 | 0 | 111.5 | I1800 A1855 Q1869 L1870 Y1873 | I1800-P1865 WeakPolarHBondContact CG1-O 3.38Å; I1800-P1865 WeakPolarHBondContact CG2-O 2.94Å; A1855-P1865 HydrophobicContact CB-CG 4.17Å; P1865-Q1869 HydrophobicContact CB-CB 3.81Å; P1865-L1870 HydrophobicContact CG-CB 4.3Å; P1865-L1870 HydrophobicContact CG-CD1 3.89Å; P1865-Y1873 HydrophobicContact CB-CE2 4.18Å; P1865-Y1873 HydrophobicContact CG-CE2 4.13Å |
| 1866 | T | 95.8 | Very high | 93.6 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 160.1 | 166.1 | 62.7 | 0 | 0 | 0 | 0 | 111 | N1868 Q1869 L1870 | T1866-N1868 PolarHBondContact O-N 3.18Å; T1866-N1868 VanDerWaalsContact O-N 3.14Å; T1866-Q1869 PolarHBondContact O-N 3.23Å; T1866-Q1869 WeakPolarHBondContact OG1-CG 3.43Å; T1866-Q1869 PolarHBondContact OG1-N 3.5Å; T1866-Q1869 PolarHBondContact OG1-OE1 2.97Å; T1866-L1870 PolarHBondContact O-N 3.06Å |
| 1867 | A | 95.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.5 | -34.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | I1722 L1725 A1726 I1800 L1871 | I1722-A1867 HydrophobicContact CG2-CB 4.03Å; I1722-A1867 WeakPolarHBondContact CG2-O 3.28Å; L1725-A1867 HydrophobicContact CG-CB 4.37Å; A1726-A1867 HydrophobicContact CB-CB 3.85Å; I1800-A1867 HydrophobicContact CD1-CB 3.97Å; A1867-L1871 PolarHBondContact O-N 3.15Å |
| 1868 | N | 93.9 | Very high | 92.7 | Very high | 103 Ų | 103 | 54 Ų | 54 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -68.6 | -45 | 174.6 | -71.8 | -32.5 | 0 | 0 | 0 | 112.3 | A1726 T1866 L1870 L1871 | A1726-N1868 WeakPolarHBondContact CB-OD1 3.31Å; T1866-N1868 PolarHBondContact O-N 3.18Å; T1866-N1868 VanDerWaalsContact O-N 3.14Å; N1868-L1870 VanDerWaalsContact C-N 3.31Å; N1868-L1870 PolarHBondContact O-N 2.83Å; N1868-L1871 PolarHBondContact O-N 2.75Å |
| 1869 | Q | 95.1 | Very high | 92.2 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 175.5 | -74.1 | 160.6 | -49.1 | 0 | 0 | 111.3 | P1865 T1866 L1871 T1872 Y1873 | P1865-Q1869 HydrophobicContact CB-CB 3.81Å; T1866-Q1869 PolarHBondContact O-N 3.23Å; T1866-Q1869 WeakPolarHBondContact OG1-CG 3.43Å; T1866-Q1869 PolarHBondContact OG1-N 3.5Å; T1866-Q1869 PolarHBondContact OG1-OE1 2.97Å; Q1869-L1871 VanDerWaalsContact C-N 3.28Å; Q1869-L1871 PolarHBondContact O-N 2.83Å; Q1869-T1872 PolarHBondContact O-N 3.3Å; Q1869-T1872 PolarHBondContact O-OG1 2.95Å; Q1869-Y1873 WeakPolarHBondContact O-CD2 3.37Å |
| 1870 | L | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -36 | 178.1 | -168.1 | 61.5 | 0 | 0 | 0 | 111.8 | I1722 V1803 V1852 P1865 T1866 N1868 T1872 Y1873 F1876 | I1722-L1870 HydrophobicContact CD1-CD2 3.64Å; I1722-L1870 HydrophobicContact CD1-CG 3.91Å; I1722-L1870 HydrophobicContact CG1-CD2 3.98Å; I1722-L1870 HydrophobicContact CG2-CB 4.3Å; I1722-L1870 HydrophobicContact CG2-CD2 4.4Å; V1803-L1870 HydrophobicContact CG1-CD2 4.34Å; V1852-L1870 HydrophobicContact CG1-CD1 4.25Å; V1852-L1870 HydrophobicContact CG2-CD1 4.42Å; P1865-L1870 HydrophobicContact CG-CB 4.3Å; P1865-L1870 HydrophobicContact CG-CD1 3.89Å; T1866-L1870 PolarHBondContact O-N 3.06Å; N1868-L1870 VanDerWaalsContact C-N 3.31Å; N1868-L1870 PolarHBondContact O-N 2.83Å; L1870-T1872 PolarHBondContact O-N 3.3Å; L1870-Y1873 HydrophobicContact CD1-CD2 4.27Å; L1870-Y1873 HydrophobicContact CD1-CE2 4.34Å; L1870-Y1873 PolarHBondContact O-N 3.44Å; L1870-F1876 HydrophobicContact CG-CE2 4.26Å; L1870-F1876 VanDerWaalsContact O-CD2 3.31Å; L1870-F1876 WeakPolarHBondContact O-CD2 3.4Å |
| 1871 | L | 94.2 | Very high | 91.4 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -19.8 | 173.1 | -68.9 | 170 | 0 | 0 | 0 | 114.2 | I1722 R1723 A1867 N1868 Q1869 I1880 | I1722-L1871 HydrophobicContact CB-CD2 3.87Å; I1722-L1871 HydrophobicContact CB-CG 4.28Å; I1722-L1871 HydrophobicContact CG2-CD1 4.27Å; I1722-L1871 HydrophobicContact CG2-CD2 3.79Å; I1722-L1871 HydrophobicContact CG2-CG 3.62Å; R1723-L1871 HydrophobicContact CG-CD1 4.29Å; R1723-L1871 HydrophobicContact CG-CD2 4.44Å; A1867-L1871 PolarHBondContact O-N 3.15Å; N1868-L1871 PolarHBondContact O-N 2.75Å; Q1869-L1871 VanDerWaalsContact C-N 3.28Å; Q1869-L1871 PolarHBondContact O-N 2.83Å; L1871-I1880 HydrophobicContact CB-CD1 4.36Å; L1871-I1880 HydrophobicContact CD2-CD1 4.07Å |
| 1872 | T | 93.7 | Very high | 90.7 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 61% | 0.607 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -7.8 | 178.5 | 68.5 | 0 | 0 | 0 | 0 | 114 | Q1869 L1870 | Q1869-T1872 PolarHBondContact O-N 3.3Å; Q1869-T1872 PolarHBondContact O-OG1 2.95Å; L1870-T1872 PolarHBondContact O-N 3.3Å |
| 1873 | Y | 93.2 | Very high | 89.8 | Confident | 71 Ų | 71 | 54.8 Ų | 54.8 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -62.5 | 138.3 | 176.2 | -81.4 | -125 | 0 | 0 | 0 | 110.3 | V1852 A1855 P1865 Q1869 L1870 V1875 F1876 A1877 | V1852-Y1873 HydrophobicContact CB-CD1 4.48Å; V1852-Y1873 HydrophobicContact CG2-CD1 3.54Å; V1852-Y1873 HydrophobicContact CG2-CE1 4.44Å; V1852-Y1873 HydrophobicContact CG2-CG 3.9Å; A1855-Y1873 HydrophobicContact CB-CE1 3.86Å; A1855-Y1873 VanDerWaalsContact CB-OH 3.23Å; A1855-Y1873 WeakPolarHBondContact CB-OH 3.44Å; P1865-Y1873 HydrophobicContact CB-CE2 4.18Å; P1865-Y1873 HydrophobicContact CG-CE2 4.13Å; Q1869-Y1873 WeakPolarHBondContact O-CD2 3.37Å; L1870-Y1873 HydrophobicContact CD1-CD2 4.27Å; L1870-Y1873 HydrophobicContact CD1-CE2 4.34Å; L1870-Y1873 PolarHBondContact O-N 3.44Å; Y1873-V1875 PolarHBondContact O-N 3.45Å; Y1873-F1876 PolarHBondContact O-N 3.46Å; Y1873-A1877 PolarHBondContact O-N 3.43Å |
| 1874 | N | 88.8 | Confident | 88.9 | Confident | 119 Ų | 119 | 55.4 Ų | 55.4 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -44.9 | -42.7 | -171.9 | -71.8 | -15.5 | 0 | 0 | 0 | 114.5 | F1876 R1878 | N1874-F1876 VanDerWaalsContact C-N 3.34Å; N1874-F1876 PolarHBondContact O-N 2.9Å; N1874-R1878 WeakPolarHBondContact O-CB 3.05Å; N1874-R1878 PolarHBondContact O-N 3.21Å |
| 1875 | V | 88.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | -179.9 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | L1715 D1848 V1852 Y1873 L1879 | L1715-V1875 HydrophobicContact CD1-CG2 3.43Å; L1715-V1875 VanDerWaalsContact CD1-CG2 3.43Å; L1715-V1875 HydrophobicContact CD2-CB 4.31Å; L1715-V1875 HydrophobicContact CD2-CG1 3.83Å; L1715-V1875 HydrophobicContact CD2-CG2 3.52Å; L1715-V1875 HydrophobicContact CG-CG2 4.12Å; D1848-V1875 HydrophobicContact CB-CB 3.65Å; D1848-V1875 HydrophobicContact CB-CG2 4.22Å; V1852-V1875 HydrophobicContact CG2-CG1 3.68Å; Y1873-V1875 PolarHBondContact O-N 3.45Å; V1875-L1879 WeakPolarHBondContact O-CD1 3.28Å; V1875-L1879 WeakPolarHBondContact O-CG 3.45Å |
| 1876 | F | 91.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -82.8 | -45.7 | 179.7 | -65.1 | -51.4 | 0 | 0 | 0 | 111.1 | L1715 I1719 I1722 V1852 L1870 Y1873 N1874 R1878 L1879 I1880 | L1715-F1876 HydrophobicContact CB-CE1 4.43Å; L1715-F1876 HydrophobicContact CD2-CD1 3.91Å; L1715-F1876 HydrophobicContact CD2-CE1 3.43Å; L1715-F1876 VanDerWaalsContact CD2-CE1 3.43Å; L1715-F1876 HydrophobicContact CD2-CZ 4.04Å; I1719-F1876 HydrophobicContact CD1-CD1 4.15Å; I1719-F1876 HydrophobicContact CG1-CB 4.31Å; I1719-F1876 HydrophobicContact CG1-CD1 3.43Å; I1719-F1876 VanDerWaalsContact CG1-CD1 3.43Å; I1719-F1876 HydrophobicContact CG1-CE1 4.08Å; I1719-F1876 HydrophobicContact CG1-CG 4.22Å; I1722-F1876 HydrophobicContact CD1-CD2 4.21Å; I1722-F1876 HydrophobicContact CD1-CE1 4.26Å; I1722-F1876 HydrophobicContact CD1-CE2 3.56Å; I1722-F1876 HydrophobicContact CD1-CZ 3.57Å; V1852-F1876 HydrophobicContact CB-CE2 4.35Å; V1852-F1876 HydrophobicContact CG1-CE2 3.69Å; V1852-F1876 HydrophobicContact CG1-CZ 4.01Å; V1852-F1876 HydrophobicContact CG2-CD2 4.05Å; V1852-F1876 HydrophobicContact CG2-CE2 3.67Å; L1870-F1876 HydrophobicContact CG-CE2 4.26Å; L1870-F1876 VanDerWaalsContact O-CD2 3.31Å; L1870-F1876 WeakPolarHBondContact O-CD2 3.4Å; Y1873-F1876 PolarHBondContact O-N 3.46Å; N1874-F1876 VanDerWaalsContact C-N 3.34Å; N1874-F1876 PolarHBondContact O-N 2.9Å; F1876-R1878 VanDerWaalsContact C-N 3.29Å; F1876-R1878 PolarHBondContact O-N 2.95Å; F1876-L1879 PolarHBondContact O-N 3.5Å; F1876-I1880 HydrophobicContact CB-CD1 4.38Å; F1876-I1880 WeakPolarHBondContact O-CB 3.27Å; F1876-I1880 WeakPolarHBondContact O-CG1 3.29Å; F1876-I1880 PolarHBondContact O-N 2.76Å |
| 1877 | A | 88.3 | Confident | 84.6 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 31% | 0.314 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.4 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1873 I1880 S1881 | Y1873-A1877 PolarHBondContact O-N 3.43Å; A1877-I1880 PolarHBondContact O-N 3.31Å; A1877-S1881 PolarHBondContact O-N 3.29Å; A1877-S1881 PolarHBondContact O-OG 3.27Å |
| 1878 | R | 85.9 | Confident | 82.9 | Confident | 116 Ų | 116 | 63.7 Ų | 63.7 | 44% | 0.438 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 174.6 | -178.2 | 176.1 | 65 | -145.6 | -7.1 | 112.8 | D1848 N1874 F1876 S1881 Q1882 | D1848-R1878 IonicContact OD2-CZ 2.8Å; D1848-R1878 IonicContact OD2-NH1 3.9Å; D1848-R1878 PolarHBondContact OD2-NH1 3.38Å; D1848-R1878 IonicContact OD2-NH2 3.7Å; D1848-R1878 PolarHBondContact OD2-NH2 3.36Å; N1874-R1878 WeakPolarHBondContact O-CB 3.05Å; N1874-R1878 PolarHBondContact O-N 3.21Å; F1876-R1878 VanDerWaalsContact C-N 3.29Å; F1876-R1878 PolarHBondContact O-N 2.95Å; R1878-S1881 PolarHBondContact O-OG 3.17Å; R1878-S1881 VanDerWaalsContact O-OG 3.06Å; R1878-Q1882 WeakPolarHBondContact O-CB 2.92Å; R1878-Q1882 WeakPolarHBondContact O-CG 3.14Å; R1878-Q1882 PolarHBondContact O-N 3.23Å |
| 1879 | L | 84.3 | Confident | 81.2 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.1 | -34.4 | 178.3 | -74.4 | 171.2 | 0 | 0 | 0 | 112.3 | L1715 I1719 V1875 F1876 Q1882 Q1883 | L1715-L1879 HydrophobicContact CB-CD1 3.52Å; L1715-L1879 HydrophobicContact CD1-CD1 3.98Å; L1715-L1879 HydrophobicContact CG-CD1 4.27Å; I1719-L1879 HydrophobicContact CD1-CB 3.54Å; I1719-L1879 HydrophobicContact CD1-CD1 4.04Å; I1719-L1879 HydrophobicContact CD1-CG 4.45Å; V1875-L1879 WeakPolarHBondContact O-CD1 3.28Å; V1875-L1879 WeakPolarHBondContact O-CG 3.45Å; F1876-L1879 PolarHBondContact O-N 3.5Å; L1879-Q1882 PolarHBondContact O-N 3Å; L1879-Q1883 VanDerWaalsContact O-CG 3.29Å; L1879-Q1883 WeakPolarHBondContact O-CG 3.45Å; L1879-Q1883 PolarHBondContact O-N 3.28Å |
| 1880 | I | 84.8 | Confident | 79.3 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.1 | -45 | 177.2 | -67.2 | 164.6 | 0 | 0 | 0 | 110.8 | I1719 L1871 F1876 A1877 Q1883 Q1884 | I1719-I1880 HydrophobicContact CD1-CG1 4.23Å; I1719-I1880 HydrophobicContact CG1-CG1 4.42Å; I1719-I1880 HydrophobicContact CG2-CD1 4.31Å; I1719-I1880 HydrophobicContact CG2-CG1 3.96Å; L1871-I1880 HydrophobicContact CB-CD1 4.36Å; L1871-I1880 HydrophobicContact CD2-CD1 4.07Å; F1876-I1880 HydrophobicContact CB-CD1 4.38Å; F1876-I1880 WeakPolarHBondContact O-CB 3.27Å; F1876-I1880 WeakPolarHBondContact O-CG1 3.29Å; F1876-I1880 PolarHBondContact O-N 2.76Å; A1877-I1880 PolarHBondContact O-N 3.31Å; I1880-Q1883 PolarHBondContact O-N 2.88Å; I1880-Q1884 WeakPolarHBondContact O-CG 3.48Å; I1880-Q1884 PolarHBondContact O-N 3.29Å |
| 1881 | S | 80.6 | Confident | 77.4 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 175.1 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | A1877 R1878 Q1884 S1885 | A1877-S1881 PolarHBondContact O-N 3.29Å; A1877-S1881 PolarHBondContact O-OG 3.27Å; R1878-S1881 PolarHBondContact O-OG 3.17Å; R1878-S1881 VanDerWaalsContact O-OG 3.06Å; S1881-Q1884 PolarHBondContact O-N 3.03Å; S1881-S1885 WeakPolarHBondContact O-CB 3.44Å; S1881-S1885 PolarHBondContact O-N 2.97Å |
| 1882 | Q | 77 | Confident | 75.5 | Confident | 100 Ų | 100 | 70.1 Ų | 70.1 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 170.8 | -75.5 | 171 | 1.5 | 0 | 0 | 111.9 | R1878 L1879 Q1884 S1885 V1886 | R1878-Q1882 WeakPolarHBondContact O-CB 2.92Å; R1878-Q1882 WeakPolarHBondContact O-CG 3.14Å; R1878-Q1882 PolarHBondContact O-N 3.23Å; L1879-Q1882 PolarHBondContact O-N 3Å; Q1882-Q1884 VanDerWaalsContact C-N 3.34Å; Q1882-Q1884 PolarHBondContact O-N 3.37Å; Q1882-S1885 PolarHBondContact O-N 2.85Å; Q1882-S1885 PolarHBondContact O-OG 3.31Å; Q1882-V1886 PolarHBondContact O-N 3.47Å |
| 1883 | Q | 73.7 | Confident | 73.7 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 28% | 0.276 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.2 | -48.3 | 174.8 | -74.7 | 171 | 8.6 | 0 | 0 | 111.7 | N1716 R1723 L1879 I1880 S1885 V1886 T1887 | N1716-Q1883 PolarHBondContact OD1-NE2 2.97Å; R1723-Q1883 VanDerWaalsContact NH1-OE1 3.08Å; L1879-Q1883 VanDerWaalsContact O-CG 3.29Å; L1879-Q1883 WeakPolarHBondContact O-CG 3.45Å; L1879-Q1883 PolarHBondContact O-N 3.28Å; I1880-Q1883 PolarHBondContact O-N 2.88Å; Q1883-S1885 PolarHBondContact O-N 2.8Å; Q1883-V1886 PolarHBondContact O-N 2.78Å; Q1883-T1887 PolarHBondContact O-N 3.37Å; Q1883-T1887 PolarHBondContact O-OG1 2.76Å |
| 1884 | Q | 74.3 | Confident | 71.6 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.7 | -45.4 | 179 | -74.3 | 171.9 | -18.3 | 0 | 0 | 112.1 | I1880 S1881 Q1882 V1886 T1887 A1888 | I1880-Q1884 WeakPolarHBondContact O-CG 3.48Å; I1880-Q1884 PolarHBondContact O-N 3.29Å; S1881-Q1884 PolarHBondContact O-N 3.03Å; Q1882-Q1884 VanDerWaalsContact C-N 3.34Å; Q1882-Q1884 PolarHBondContact O-N 3.37Å; Q1884-V1886 VanDerWaalsContact C-N 3.32Å; Q1884-V1886 PolarHBondContact O-N 2.67Å; Q1884-T1887 PolarHBondContact O-N 3.07Å; Q1884-T1887 PolarHBondContact O-OG1 3.2Å; Q1884-A1888 PolarHBondContact O-N 2.93Å |
| 1885 | S | 66.5 | Low | 69.8 | Low | 61 Ų | 61 | 67.4 Ų | 67.4 | 43% | 0.427 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 179.8 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | S1881 Q1882 Q1883 L1889 | S1881-S1885 WeakPolarHBondContact O-CB 3.44Å; S1881-S1885 PolarHBondContact O-N 2.97Å; Q1882-S1885 PolarHBondContact O-N 2.85Å; Q1882-S1885 PolarHBondContact O-OG 3.31Å; Q1883-S1885 PolarHBondContact O-N 2.8Å; S1885-L1889 VanDerWaalsContact O-CG 3.31Å; S1885-L1889 WeakPolarHBondContact O-CG 3.47Å; S1885-L1889 PolarHBondContact O-N 3.12Å; S1885-L1889 VanDerWaalsContact O-N 3.13Å |
| 1886 | V | 67 | Low | 67.9 | Low | 73 Ų | 73 | 70.3 Ų | 70.3 | 44% | 0.442 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.2 | -48.2 | 175.9 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | Q1882 Q1883 Q1884 A1888 L1889 E1890 | Q1882-V1886 PolarHBondContact O-N 3.47Å; Q1883-V1886 PolarHBondContact O-N 2.78Å; Q1884-V1886 VanDerWaalsContact C-N 3.32Å; Q1884-V1886 PolarHBondContact O-N 2.67Å; V1886-A1888 VanDerWaalsContact C-N 3.29Å; V1886-A1888 PolarHBondContact O-N 3.48Å; V1886-L1889 PolarHBondContact O-N 2.83Å; V1886-L1889 VanDerWaalsContact O-N 3.14Å; V1886-E1890 PolarHBondContact O-N 2.95Å |
| 1887 | T | 64.3 | Low | 65.8 | Low | 68 Ų | 68 | 73.8 Ų | 73.8 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 179.5 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | Q1883 Q1884 E1890 Q1891 | Q1883-T1887 PolarHBondContact O-N 3.37Å; Q1883-T1887 PolarHBondContact O-OG1 2.76Å; Q1884-T1887 PolarHBondContact O-N 3.07Å; Q1884-T1887 PolarHBondContact O-OG1 3.2Å; T1887-E1890 PolarHBondContact O-N 2.74Å; T1887-Q1891 WeakPolarHBondContact O-CB 3.01Å; T1887-Q1891 VanDerWaalsContact O-CG 3.28Å; T1887-Q1891 WeakPolarHBondContact O-CG 3.48Å; T1887-Q1891 PolarHBondContact O-N 2.69Å |
| 1888 | A | 59.8 | Low | 63.8 | Low | 60 Ų | 60 | 77.9 Ų | 77.9 | 50% | 0.496 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1884 V1886 E1890 G1892 | Q1884-A1888 PolarHBondContact O-N 2.93Å; V1886-A1888 VanDerWaalsContact C-N 3.29Å; V1886-A1888 PolarHBondContact O-N 3.48Å; A1888-E1890 VanDerWaalsContact C-N 3.35Å; A1888-G1892 PolarHBondContact O-N 2.7Å |
| 1889 | L | 58.6 | Low | 61.9 | Low | 113 Ų | 113 | 75.8 Ų | 75.8 | 59% | 0.592 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.4 | -34.6 | 175.8 | -73.1 | 166.5 | 0 | 0 | 0 | 112.5 | S1885 V1886 K1893 | S1885-L1889 VanDerWaalsContact O-CG 3.31Å; S1885-L1889 WeakPolarHBondContact O-CG 3.47Å; S1885-L1889 PolarHBondContact O-N 3.12Å; S1885-L1889 VanDerWaalsContact O-N 3.13Å; V1886-L1889 PolarHBondContact O-N 2.83Å; V1886-L1889 VanDerWaalsContact O-N 3.14Å; L1889-K1893 VanDerWaalsContact O-CG 3.31Å; L1889-K1893 WeakPolarHBondContact O-CG 3.36Å; L1889-K1893 PolarHBondContact O-N 2.7Å; L1889-K1893 VanDerWaalsContact O-N 3.14Å |
| 1890 | E | 55.9 | Low | 60 | Low | 86 Ų | 86 | 78.4 Ų | 78.4 | 40% | 0.402 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.8 | -45.8 | 175.5 | -71.5 | 177.8 | 170.8 | 0 | 0 | 112.2 | H1521 V1886 T1887 A1888 G1892 K1893 Q1894 | H1521-E1890 IonicContact CE1-OE2 3.25Å; V1886-E1890 PolarHBondContact O-N 2.95Å; T1887-E1890 PolarHBondContact O-N 2.74Å; A1888-E1890 VanDerWaalsContact C-N 3.35Å; E1890-G1892 VanDerWaalsContact C-N 3.35Å; E1890-G1892 PolarHBondContact O-N 2.57Å; E1890-K1893 PolarHBondContact O-N 2.81Å; E1890-Q1894 PolarHBondContact O-N 2.74Å |
| 1891 | Q | 53.8 | Low | 58.1 | Low | 131 Ų | 131 | 82.5 Ų | 82.5 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 175.1 | -72.1 | 173.2 | 12 | 0 | 0 | 111.7 | T1887 K1893 Q1894 A1895 | T1887-Q1891 WeakPolarHBondContact O-CB 3.01Å; T1887-Q1891 VanDerWaalsContact O-CG 3.28Å; T1887-Q1891 WeakPolarHBondContact O-CG 3.48Å; T1887-Q1891 PolarHBondContact O-N 2.69Å; Q1891-K1893 VanDerWaalsContact C-N 3.34Å; Q1891-K1893 PolarHBondContact O-N 3.3Å; Q1891-Q1894 PolarHBondContact O-N 3.22Å; Q1891-A1895 WeakPolarHBondContact O-CB 3.48Å; Q1891-A1895 PolarHBondContact O-N 3.45Å |
| 1892 | G | 54.7 | Low | 56 | Low | 43 Ų | 43 | 83.8 Ų | 83.8 | 44% | 0.443 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | A1888 E1890 A1895 S1896 | A1888-G1892 PolarHBondContact O-N 2.7Å; E1890-G1892 VanDerWaalsContact C-N 3.35Å; E1890-G1892 PolarHBondContact O-N 2.57Å; G1892-A1895 PolarHBondContact O-N 2.95Å; G1892-S1896 PolarHBondContact O-N 3.41Å; G1892-S1896 PolarHBondContact O-OG 3.07Å |
| 1893 | K | 55.6 | Low | 54.1 | Low | 86 Ų | 86 | 84.5 Ų | 84.5 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 175 | -77.6 | 171.5 | 179.6 | 176 | 0 | 112.3 | V555 L1889 E1890 Q1891 A1895 S1896 I1897 | V555-K1893 HydrophobicContact CG2-CD 3.91Å; L1889-K1893 VanDerWaalsContact O-CG 3.31Å; L1889-K1893 WeakPolarHBondContact O-CG 3.36Å; L1889-K1893 PolarHBondContact O-N 2.7Å; L1889-K1893 VanDerWaalsContact O-N 3.14Å; E1890-K1893 PolarHBondContact O-N 2.81Å; Q1891-K1893 VanDerWaalsContact C-N 3.34Å; Q1891-K1893 PolarHBondContact O-N 3.3Å; K1893-A1895 VanDerWaalsContact C-N 3.33Å; K1893-A1895 PolarHBondContact O-N 2.75Å; K1893-S1896 PolarHBondContact O-N 2.71Å; K1893-S1896 PolarHBondContact O-OG 3.13Å; K1893-I1897 WeakPolarHBondContact O-CG1 3.09Å; K1893-I1897 PolarHBondContact O-N 3.26Å |
| 1894 | Q | 49.4 | Very low | 52.2 | Low | 85 Ų | 85 | 85.4 Ų | 85.4 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 175.9 | -72 | 178.5 | -2.3 | 0 | 0 | 111.5 | H1521 E1890 Q1891 S1896 I1897 L1898 | H1521-Q1894 PolarHBondContact NE2-NE2 2.87Å; E1890-Q1894 PolarHBondContact O-N 2.74Å; Q1891-Q1894 PolarHBondContact O-N 3.22Å; Q1894-S1896 PolarHBondContact O-N 2.99Å; Q1894-I1897 PolarHBondContact O-N 2.99Å; Q1894-L1898 PolarHBondContact O-N 2.9Å |
| 1895 | A | 51.2 | Low | 50.2 | Low | 60 Ų | 60 | 85.4 Ų | 85.4 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1891 G1892 K1893 I1897 L1898 S1899 | Q1891-A1895 WeakPolarHBondContact O-CB 3.48Å; Q1891-A1895 PolarHBondContact O-N 3.45Å; G1892-A1895 PolarHBondContact O-N 2.95Å; K1893-A1895 VanDerWaalsContact C-N 3.33Å; K1893-A1895 PolarHBondContact O-N 2.75Å; A1895-I1897 PolarHBondContact O-N 2.84Å; A1895-L1898 PolarHBondContact O-N 3.45Å; A1895-S1899 PolarHBondContact O-N 3.29Å; A1895-S1899 PolarHBondContact O-OG 3.37Å |
| 1896 | S | 48.2 | Very low | 48.8 | Very low | 62 Ų | 62 | 89.1 Ų | 89.1 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 177.6 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | G1892 K1893 Q1894 S1899 S1900 | G1892-S1896 PolarHBondContact O-N 3.41Å; G1892-S1896 PolarHBondContact O-OG 3.07Å; K1893-S1896 PolarHBondContact O-N 2.71Å; K1893-S1896 PolarHBondContact O-OG 3.13Å; Q1894-S1896 PolarHBondContact O-N 2.99Å; S1896-S1899 PolarHBondContact O-OG 3.46Å; S1896-S1899 VanDerWaalsContact O-OG 3.07Å; S1896-S1900 WeakPolarHBondContact O-CB 3.23Å; S1896-S1900 PolarHBondContact O-N 3.29Å; S1896-S1900 VanDerWaalsContact O-N 3.12Å; S1896-S1900 PolarHBondContact O-OG 2.73Å |
| 1897 | I | 47.7 | Very low | 47.3 | Very low | 73 Ų | 73 | 88.2 Ų | 88.2 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | 175.1 | -67.4 | 164.4 | 0 | 0 | 0 | 109.4 | K1893 Q1894 A1895 S1899 S1900 V1901 | K1893-I1897 WeakPolarHBondContact O-CG1 3.09Å; K1893-I1897 PolarHBondContact O-N 3.26Å; Q1894-I1897 PolarHBondContact O-N 2.99Å; A1895-I1897 PolarHBondContact O-N 2.84Å; I1897-S1899 PolarHBondContact O-N 3.06Å; I1897-S1900 PolarHBondContact O-N 3.05Å; I1897-S1900 VanDerWaalsContact O-N 3.17Å; I1897-S1900 PolarHBondContact O-OG 3.03Å; I1897-V1901 WeakPolarHBondContact O-CG2 3.38Å; I1897-V1901 PolarHBondContact O-N 3.02Å; I1897-V1901 VanDerWaalsContact O-N 3.17Å |
| 1898 | L | 45.4 | Very low | 45.6 | Very low | 125 Ų | 125 | 91 Ų | 91 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.7 | -37.3 | 178.1 | -85.1 | 151.1 | 0 | 0 | 0 | 113.4 | Q1894 A1895 S1902 | Q1894-L1898 PolarHBondContact O-N 2.9Å; A1895-L1898 PolarHBondContact O-N 3.45Å; L1898-S1902 PolarHBondContact O-OG 3.36Å |
| 1899 | S | 47.8 | Very low | 44.3 | Very low | 72 Ų | 72 | 97.4 Ų | 97.4 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72 | -30.6 | 174.1 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | A1895 S1896 I1897 S1902 T1903 | A1895-S1899 PolarHBondContact O-N 3.29Å; A1895-S1899 PolarHBondContact O-OG 3.37Å; S1896-S1899 PolarHBondContact O-OG 3.46Å; S1896-S1899 VanDerWaalsContact O-OG 3.07Å; I1897-S1899 PolarHBondContact O-N 3.06Å; S1899-S1902 WeakPolarHBondContact CA-OG 3.38Å; S1899-S1902 PolarHBondContact O-OG 3Å; S1899-T1903 PolarHBondContact O-OG1 3.02Å |
| 1900 | S | 42.7 | Very low | 43.2 | Very low | 80 Ų | 80 | 96.5 Ų | 96.5 | 56% | 0.559 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.2 | -26.9 | 175.8 | 73.4 | 0 | 0 | 0 | 0 | 114.3 | S1896 I1897 T1903 | S1896-S1900 WeakPolarHBondContact O-CB 3.23Å; S1896-S1900 PolarHBondContact O-N 3.29Å; S1896-S1900 VanDerWaalsContact O-N 3.12Å; S1896-S1900 PolarHBondContact O-OG 2.73Å; I1897-S1900 PolarHBondContact O-N 3.05Å; I1897-S1900 VanDerWaalsContact O-N 3.17Å; I1897-S1900 PolarHBondContact O-OG 3.03Å; S1900-T1903 PolarHBondContact O-OG1 2.8Å |
| 1901 | V | 44.9 | Very low | 41.9 | Very low | 114 Ų | 114 | 99.1 Ų | 99.1 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -87 | -21.2 | -177.5 | 172.7 | 0 | 0 | 0 | 0 | 112.7 | I1897 | I1897-V1901 WeakPolarHBondContact O-CG2 3.38Å; I1897-V1901 PolarHBondContact O-N 3.02Å; I1897-V1901 VanDerWaalsContact O-N 3.17Å |
| 1902 | S | 37.4 | Very low | 40.8 | Very low | 89 Ų | 89 | 101.1 Ų | 101.1 | 62% | 0.622 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 1.3 | -171.3 | 36.5 | 0 | 0 | 0 | 0 | 115.2 | L1898 S1899 | L1898-S1902 PolarHBondContact O-OG 3.36Å; S1899-S1902 WeakPolarHBondContact CA-OG 3.38Å; S1899-S1902 PolarHBondContact O-OG 3Å |
| 1903 | T | 36.5 | Very low | 39.7 | Very low | 114 Ų | 114 | 106.2 Ų | 106.2 | 70% | 0.699 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 7.9 | -165.9 | 32.4 | 0 | 0 | 0 | 0 | 116.3 | S1899 S1900 | S1899-T1903 PolarHBondContact O-OG1 3.02Å; S1900-T1903 PolarHBondContact O-OG1 2.8Å |
| 1904 | S | 34.1 | Very low | 38.5 | Very low | 78 Ų | 78 | 106.8 Ų | 106.8 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | trans | -136.3 | 95.6 | 175.2 | -172.4 | 0 | 0 | 0 | 0 | 113.9 | N1906 | S1904-N1906 PolarHBondContact O-N 3.22Å; S1904-N1906 VanDerWaalsContact O-N 3.12Å | ||
| 1905 | P | 32.6 | Very low | 37.5 | Very low | 120 Ų | 120 | 108.3 Ų | 108.3 | 78% | 0.779 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -15 | -177.2 | -25.5 | 35.8 | 0 | 0 | 0 | 116.2 | ||
| 1906 | N | 36.9 | Very low | 36.6 | Very low | 140 Ų | 140 | 114 Ų | 114 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -10.5 | -172.5 | -77.1 | -15.6 | 0 | 0 | 0 | 114.8 | S1904 M1908 | S1904-N1906 PolarHBondContact O-N 3.22Å; S1904-N1906 VanDerWaalsContact O-N 3.12Å; N1906-M1908 VanDerWaalsContact C-N 3.32Å; N1906-M1908 PolarHBondContact O-N 2.74Å |
| 1907 | A | 34.8 | Very low | 35.7 | Very low | 53 Ų | 53 | 115.9 Ų | 115.9 | 44% | 0.438 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -70.5 | -26.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1909 T1910 | A1907-K1909 VanDerWaalsContact C-N 3.34Å; A1907-K1909 PolarHBondContact O-N 3.04Å; A1907-T1910 PolarHBondContact O-N 2.78Å |
| 1908 | M | 29.6 | Very low | 34.9 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -80.3 | -7.7 | -166.3 | -152.2 | 175.9 | -171.7 | 0 | 0 | 114.8 | N1906 | N1906-M1908 VanDerWaalsContact C-N 3.32Å; N1906-M1908 PolarHBondContact O-N 2.74Å |
| 1909 | K | 33.2 | Very low | 34.3 | Very low | 195 Ų | 195 | 120.2 Ų | 120.2 | 85% | 0.848 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -93.6 | -17.2 | 174.4 | -77 | -171.4 | 173.5 | -175.3 | 0 | 114.1 | A1907 | A1907-K1909 VanDerWaalsContact C-N 3.34Å; A1907-K1909 PolarHBondContact O-N 3.04Å |
| 1910 | T | 33.7 | Very low | 33.3 | Very low | 94 Ų | 94 | 122.2 Ų | 122.2 | 58% | 0.577 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -19.2 | -174.1 | -35.1 | 0 | 0 | 0 | 0 | 113 | A1907 K1912 | A1907-T1910 PolarHBondContact O-N 2.78Å; T1910-K1912 VanDerWaalsContact C-N 3.31Å; T1910-K1912 PolarHBondContact O-N 2.92Å |
| 1911 | L | 30.5 | Very low | 32.7 | Very low | 140 Ų | 140 | 127 Ų | 127 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 0.7 | -177.1 | -91.3 | 157.5 | 0 | 0 | 0 | 115.3 | ||
| 1912 | K | 29.9 | Very low | 32.1 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 8.8 | 171 | -78.3 | -163.2 | 169 | -166.6 | 0 | 114.2 | T1910 | T1910-K1912 VanDerWaalsContact C-N 3.31Å; T1910-K1912 PolarHBondContact O-N 2.92Å |
| 1913 | N | 30.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -144.6 | 17 | -166.4 | -103.4 | -21.5 | 0 | 0 | 0 | 116.1 | ||
| 1914 | T | 31.5 | Very low | 31.4 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | trans | -137.2 | 37.8 | -173.5 | 41.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1915 | D | 28.5 | Very low | 31 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 160.9 | 155.9 | -177.6 | 33.9 | 0 | 0 | 0 | 110.8 | ||
| 1916 | K | 31.9 | Very low | 30.6 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 77% | 0.774 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.1 | -13.2 | 176.4 | -57 | 166.8 | -179.2 | 169 | 0 | 118.7 | ||
| 1917 | S | 29.9 | Very low | 30.1 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -90.9 | -42.5 | -174.2 | -164.4 | 0 | 0 | 0 | 0 | 116 | K1919 | S1917-K1919 VanDerWaalsContact C-N 3.33Å; S1917-K1919 PolarHBondContact O-N 3.19Å |
| 1918 | V | 30.2 | Very low | 29.8 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -80.8 | -8.9 | -168.6 | -173.5 | 0 | 0 | 0 | 0 | 113.9 | C1920 | V1918-C1920 PolarHBondContact O-N 3.45Š|
| 1919 | K | 32.9 | Very low | 29.7 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -63.3 | 2.4 | -176.8 | -108.5 | 161.7 | -177.1 | 154.9 | 0 | 115.7 | S1917 N1923 | S1917-K1919 VanDerWaalsContact C-N 3.33Å; S1917-K1919 PolarHBondContact O-N 3.19Å; K1919-N1923 PolarHBondContact O-ND2 2.91Å |
| 1920 | C | 26 | Very low | 29.3 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -110.6 | -15.8 | -167.1 | -137.5 | 0 | 0 | 0 | 0 | 116.8 | V1918 | V1918-C1920 PolarHBondContact O-N 3.45Š|
| 1921 | Q | 31 | Very low | 28.9 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -102.8 | -15 | -173.6 | -76.5 | -173.3 | -18 | 0 | 0 | 116.4 | ||
| 1922 | I | 31.4 | Very low | 28.7 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -91.8 | -11.8 | -174.3 | -63.6 | 175.3 | 0 | 0 | 0 | 113 | S1924 | I1922-S1924 PolarHBondContact O-N 3.16Š|
| 1923 | N | 28.7 | Very low | 28.7 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 11 | -176.2 | -75.1 | -48.2 | 0 | 0 | 0 | 115.7 | K1919 | K1919-N1923 PolarHBondContact O-ND2 2.91Š|
| 1924 | S | 30.8 | Very low | 28.7 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 4.8 | -168.3 | -164.4 | 0 | 0 | 0 | 0 | 116.4 | I1922 | I1922-S1924 PolarHBondContact O-N 3.16Š|
| 1925 | M | 27.1 | Very low | 28.5 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | trans | -130.4 | 9.1 | -176.3 | -67.2 | -170.6 | 176.3 | 0 | 0 | 116.1 | S1927 | M1925-S1927 PolarHBondContact O-N 3.22Å; M1925-S1927 VanDerWaalsContact O-N 3.12Å | ||
| 1926 | K | 24.5 | Very low | 28.7 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -81 | 77.7 | 175.1 | -75.8 | -157.6 | 174.8 | -157.7 | 0 | 112.5 | D1503 | D1503-K1926 IonicContact OD1-NZ 2.6Å; D1503-K1926 PolarHBondContact OD1-NZ 2.99Å | ||
| 1927 | S | 25.2 | Very low | 28.6 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | -159.9 | 39.6 | 176.3 | 52.9 | 0 | 0 | 0 | 0 | 119.4 | M1925 | M1925-S1927 PolarHBondContact O-N 3.22Å; M1925-S1927 VanDerWaalsContact O-N 3.12Å | ||
| 1928 | S | 28 | Very low | 28.6 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -155 | 133 | 163.8 | 62.4 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1929 | T | 28.3 | Very low | 28.7 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | trans | 58.2 | 103.8 | 155 | 53.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1930 | K | 24.8 | Very low | 28.5 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | -72.5 | 146.2 | 164.1 | -53.8 | 174.5 | 178.7 | -176.9 | 0 | 111.7 | ||||
| 1931 | S | 25.9 | Very low | 28.7 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | trans | 158.6 | 140.7 | 132 | 53.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1932 | S | 26.5 | Very low | 28.5 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | 50.3 | 103.4 | 153.3 | 173.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1933 | F | 28.7 | Very low | 28.3 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | -121.2 | 77.8 | 165 | -122.2 | -90.7 | 0 | 0 | 0 | 113.3 | R1937 | F1933-R1937 HydrophobicContact CE1-CB 4.31Å; F1933-R1937 VanDerWaalsContact CE1-CD 3.42Å; F1933-R1937 HydrophobicContact CE1-CG 4.46Å; F1933-R1937 VanDerWaalsContact CZ-CD 3.42Å | ||
| 1934 | S | 31.6 | Very low | 28.2 | Very low | 47 Ų | 47 | 135.7 Ų | 135.7 | 33% | 0.329 | 71% | 0.706 | S | S | . | * | trans | -71.5 | 156.5 | 173.8 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | Q1936 | S1934-Q1936 PolarHBondContact O-N 3.34Š| ||
| 1935 | Y | 27.4 | Very low | 28.1 | Very low | 223 Ų | 223 | 136.4 Ų | 136.4 | 88% | 0.875 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 18.7 | 173.9 | -94.7 | -102.8 | 0 | 0 | 0 | 117.4 | ||
| 1936 | Q | 31.8 | Very low | 28 | Very low | 25 Ų | 25 | 137.4 Ų | 137.4 | 12% | 0.117 | 71% | 0.71 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -90.7 | -10.4 | -178.6 | -60.6 | -163.1 | -81.5 | 0 | 0 | 115.3 | S6 N8 S1934 | S6-Q1936 WeakPolarHBondContact O-CG 3.47Å; S6-Q1936 PolarHBondContact O-NE2 2.98Å; N8-Q1936 PolarHBondContact ND2-NE2 3.33Å; S1934-Q1936 PolarHBondContact O-N 3.34Å |
| 1937 | R | 29.5 | Very low | 28.1 | Very low | 165 Ų | 165 | 137 Ų | 137 | 62% | 0.623 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -90.3 | -22.7 | -158 | -144.4 | 170.9 | -172.5 | 151.7 | -0.1 | 116 | F1933 F1939 | F1933-R1937 HydrophobicContact CE1-CB 4.31Å; F1933-R1937 VanDerWaalsContact CE1-CD 3.42Å; F1933-R1937 HydrophobicContact CE1-CG 4.46Å; F1933-R1937 VanDerWaalsContact CZ-CD 3.42Å; R1937-F1939 VanDerWaalsContact C-N 3.27Å; R1937-F1939 PolarHBondContact O-N 3.13Å |
| 1938 | L | 30.4 | Very low | 28 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 90% | 0.901 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -21.8 | 171.7 | -79.2 | 167.6 | 0 | 0 | 0 | 113 | ||
| 1939 | F | 33.1 | Very low | 27.9 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 1.2 | -177.3 | -121.4 | -88.1 | 0 | 0 | 0 | 114.7 | N1710 I1713 R1937 | N1710-F1939 VanDerWaalsContact ND2-CE1 3.34Å; N1710-F1939 WeakPolarHBondContact ND2-CE1 3.36Å; I1713-F1939 HydrophobicContact CD1-CE2 3.44Å; I1713-F1939 VanDerWaalsContact CD1-CE2 3.44Å; I1713-F1939 HydrophobicContact CD1-CZ 3.53Å; R1937-F1939 VanDerWaalsContact C-N 3.27Å; R1937-F1939 PolarHBondContact O-N 3.13Å |
| 1940 | K | 28.6 | Very low | 27.7 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 54% | 0.543 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -113.3 | -5.7 | -170 | -107.6 | -178.7 | 170.3 | 178.3 | 0 | 115.9 | N8 | N8-K1940 WeakPolarHBondContact OD1-CE 3.44Å; N8-K1940 PolarHBondContact OD1-NZ 3.35Å |
| 1941 | T | 28.8 | Very low | 27.7 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -92.9 | 0.2 | -176.1 | -27.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1942 | F | 28.3 | Very low | 27.7 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -113.7 | 9.9 | -176.4 | -104.9 | -84.8 | 0 | 0 | 0 | 114.9 | ||
| 1943 | Q | 26.2 | Very low | 27.8 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -140.6 | 64.4 | 179.8 | -73.2 | -165.6 | -22.9 | 0 | 0 | 113.6 | ||
| 1944 | S | 27.5 | Very low | 27.8 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | trans | -158.5 | 60.6 | 172 | 63.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1945 | S | 28.5 | Very low | 27.4 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | trans | -159.3 | 100.9 | 156.5 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1946 | K | 25 | Very low | 27.4 | Very low | 199 Ų | 199 | 140 Ų | 140 | 87% | 0.865 | 73% | 0.725 | S | S | * | * | trans | -87.9 | 177.4 | 150.4 | -78.4 | -175.4 | 174.1 | -178.4 | 0 | 108.4 | ||||
| 1947 | I | 26.5 | Very low | 27 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | 81.3 | 110.4 | -176 | -49.3 | 158.3 | 0 | 0 | 0 | 109.9 | ||||
| 1948 | S | 23.8 | Very low | 26.9 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | 94 | 99.1 | 26.4 | -160.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1949 | S | 24.2 | Very low | 26.6 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | 85.8 | 146.7 | 141.9 | 80 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1950 | T | 24.6 | Very low | 26.2 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | 90 | 119.7 | 157.7 | 60.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1951 | M | 25.2 | Very low | 26 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | trans | 79.7 | 114 | 147.2 | -68.9 | 179.2 | 176.8 | 0 | 0 | 120.9 | ||||
| 1952 | N | 26.2 | Very low | 25.9 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 39.4 | 136.7 | 121.8 | -48.7 | 13.4 | 0 | 0 | 0 | 117.9 | |||||
| 1953 | D | 27.8 | Very low | 25.8 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | cis | -167.2 | 169.3 | 38.8 | -154.2 | 3.1 | 0 | 0 | 0 | 113 | ||||
| 1954 | K | 28 | Very low | 25.7 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | trans | 63.9 | 97.6 | 158.9 | -68 | 152.3 | -172.9 | 159.5 | 0 | 121.2 | ||||
| 1955 | K | 24.9 | Very low | 25.8 | Very low | 177 Ų | 177 | 140 Ų | 140 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | 25.8 | 121.8 | 126.4 | -66.2 | -178.4 | 171.4 | -171.6 | 0 | 120 | I1957 | K1955-I1957 HydrophobicContact CD-CD1 4.19Š| |||
| 1956 | V | 26.4 | Very low | 25.7 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 94% | 0.939 | 76% | 0.757 | S | S | * | * | -123.5 | 152.1 | 119.2 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 1957 | I | 24.2 | Very low | 25.9 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 57% | 0.574 | 75% | 0.75 | S | S | * | * | trans | -120.9 | 129.7 | -166.9 | -60 | 166.4 | 0 | 0 | 0 | 110.9 | K1955 V1959 | K1955-I1957 HydrophobicContact CD-CD1 4.19Å; I1957-V1959 HydrophobicContact CG2-CG2 3.95Å | ||
| 1958 | V | 25.8 | Very low | 26.3 | Very low | 146 Ų | 146 | 140 Ų | 140 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -141.9 | 144.2 | 142.7 | -174.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1959 | V | 24.3 | Very low | 26.5 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 50% | 0.497 | 76% | 0.759 | S | S | . | * | trans | -128.8 | 146.2 | -176 | -175.6 | 0 | 0 | 0 | 0 | 106 | I1957 | I1957-V1959 HydrophobicContact CG2-CG2 3.95Š| ||
| 1960 | E | 25.5 | Very low | 26.8 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | -162.1 | 137.5 | 75.7 | -106.5 | 100.6 | -103.7 | 0 | 0 | 107.3 | |||||
| 1961 | E | 24.4 | Very low | 27 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | 66.7 | 118.3 | 91.2 | -62.3 | 168.8 | -169.9 | 0 | 0 | 112.6 | |||||
| 1962 | A | 27.2 | Very low | 27.1 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | 68.7 | 140 | 59 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1963 | E | 25.8 | Very low | 27.1 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | cis | -159.3 | 164.1 | 44 | -84.3 | -170.2 | 157.7 | 0 | 0 | 114.2 | ||||
| 1964 | N | 25.1 | Very low | 27.1 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | trans | 52.2 | 124.2 | 137.9 | -54 | -10.2 | 0 | 0 | 0 | 120.6 | ||||
| 1965 | E | 27.7 | Very low | 27 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | 70.1 | 112.9 | 68.2 | -71.9 | -169.9 | 173.1 | 0 | 0 | 114.7 | |||||
| 1966 | E | 28 | Very low | 27.1 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 97% | 0.967 | 80% | 0.798 | S | S | * | * | -164.9 | 162.8 | 128.7 | -112.7 | 169.6 | -172.7 | 0 | 0 | 110.7 | |||||
| 1967 | S | 28.4 | Very low | 27.2 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -122.4 | 157.3 | -175.8 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1968 | D | 34.1 | Very low | 27.2 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 94% | 0.941 | 79% | 0.79 | S | S | * | * | trans | -153.7 | 164.7 | 150 | -103.4 | -29.5 | 0 | 0 | 0 | 111.2 | ||||
| 1969 | D | 29.7 | Very low | 27.2 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -117 | -164.1 | -159.1 | -146.6 | -28.6 | 0 | 0 | 0 | 112.8 | ||||
| 1970 | D | 30.1 | Very low | 27.3 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 75.1 | 146.8 | 165.8 | -68.8 | -35.3 | 0 | 0 | 0 | 120 | ||||
| 1971 | G | 27.7 | Very low | 27.3 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 135.2 | 95.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1972 | E | 27.3 | Very low | 27.3 | Very low | 209 Ų | 209 | 135 Ų | 135 | 98% | 0.977 | 79% | 0.789 | S | S | * | * | trans | -66.9 | 159.2 | 172.3 | -52.9 | -178.8 | 124.3 | 0 | 0 | 114.1 | ||||
| 1973 | G | 27.5 | Very low | 27.2 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 178.1 | 92.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1974 | C | 26.2 | Very low | 27.1 | Very low | 126 Ų | 126 | 133 Ų | 133 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -81.7 | 141.8 | -174.3 | -92.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1975 | V | 27.1 | Very low | 27 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | 71.1 | 129.9 | 142.6 | 175.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1976 | G | 26.7 | Very low | 26.9 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 179.8 | 67.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1977 | N | 28.2 | Very low | 26.7 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | trans | -56.4 | 165.9 | 169.9 | -74.1 | 12.8 | 0 | 0 | 0 | 113.5 | ||||
| 1978 | F | 25.6 | Very low | 26.6 | Very low | 152 Ų | 152 | 127 Ų | 127 | 67% | 0.667 | 78% | 0.783 | S | S | * | * | cis | -161.1 | 171.3 | 15.7 | -123.8 | -39.5 | 0 | 0 | 0 | 111.4 | ||||
| 1979 | E | 25.4 | Very low | 26.4 | Very low | 158 Ų | 158 | 123.9 Ų | 123.9 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 24.1 | 149.4 | 139.8 | -78 | 160.2 | -172.2 | 0 | 0 | 122 | ||||
| 1980 | S | 26.1 | Very low | 26.5 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | cis | -173.4 | 160.2 | 2.7 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1981 | D | 25.1 | Very low | 26.6 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 63.6 | 150.8 | 148.1 | -70.5 | -7.5 | 0 | 0 | 0 | 120.2 | ||||
| 1982 | S | 24.9 | Very low | 26.9 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | cis | -163.2 | 175.8 | -11.4 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1983 | T | 25.2 | Very low | 27.2 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | trans | 61.2 | 119.5 | 169.8 | 54.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1984 | A | 22.7 | Very low | 27.4 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | 53.1 | 116.6 | 78 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1985 | L | 24 | Very low | 27.6 | Very low | 175 Ų | 175 | 126.1 Ų | 126.1 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | -151.6 | -171.4 | 55.4 | -150.7 | 66.8 | 0 | 0 | 0 | 113.5 | |||||
| 1986 | A | 24.4 | Very low | 27.9 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | trans | -73.9 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1987 | T | 25.4 | Very low | 28.2 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | cis | -165.4 | 173.8 | 22.2 | -24.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1988 | S | 25.6 | Very low | 28.4 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | trans | 75 | 128.4 | 164.2 | -152.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1989 | T | 30.2 | Very low | 28.7 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | cis | 81.5 | 140.4 | 34.5 | 79.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1990 | H | 32 | Very low | 29 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 70% | 0.704 | 70% | 0.704 | S | S | * | * | cis | -166.4 | 154.1 | 6.9 | -130.5 | -9.7 | 0 | 0 | 0 | 115 | ||||
| 1991 | L | 32.1 | Very low | 29.3 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | trans | 65.8 | 166.9 | 147.6 | -70.3 | 165.1 | 0 | 0 | 0 | 120 | ||||
| 1992 | K | 32.9 | Very low | 29.4 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | cis | -151.7 | -174.9 | 13.8 | -136.2 | -173.4 | -171.7 | -157.5 | 0 | 108.2 | ||||
| 1993 | H | 33.8 | Very low | 29.6 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 58% | 0.583 | 71% | 0.712 | S | S | * | * | cis | -167.6 | -177.6 | -6 | -144.7 | 9.7 | 0 | 0 | 0 | 111 | ||||
| 1994 | I | 31.5 | Very low | 29.7 | Very low | 138 Ų | 138 | 136 Ų | 136 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | trans | 69.2 | 161.1 | 149.9 | -76.8 | 162.4 | 0 | 0 | 0 | 120.7 | ||||
| 1995 | Q | 31.3 | Very low | 30 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 66% | 0.659 | 71% | 0.705 | S | S | * | * | -166.3 | 149.5 | -60.7 | -127.3 | 170.4 | -62.6 | 0 | 0 | 115.1 | |||||
| 1996 | H | 32.8 | Very low | 30.1 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 66% | 0.657 | 69% | 0.69 | S | S | * | * | trans | 81.6 | 138.5 | 148.7 | -87.6 | -67.5 | 0 | 0 | 0 | 129 | ||||
| 1997 | H | 34 | Very low | 30.4 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | trans | 90.6 | 174.8 | 145.8 | -86.3 | -64.5 | 0 | 0 | 0 | 123.4 | ||||
| 1998 | S | 30.9 | Very low | 30.6 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | trans | -142.5 | -173.2 | -136.6 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1999 | D | 32.6 | Very low | 30.8 | Very low | 119 Ų | 119 | 141 Ų | 141 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | cis | -171 | 169.4 | 26.7 | -168.8 | 16.9 | 0 | 0 | 0 | 114.2 | ||||
| 2000 | K | 31.3 | Very low | 30.8 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 66% | 0.657 | 68% | 0.677 | S | S | * | * | trans | 64.3 | 133.4 | 154.3 | -87.9 | 177.3 | -168.5 | 84.2 | 0 | 125.9 | ||||
| 2001 | H | 32.4 | Very low | 30.8 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | 65.4 | 159.2 | 137.7 | -78.8 | -35.8 | 0 | 0 | 0 | 121.6 | ||||
| 2002 | R | 27.6 | Very low | 30.7 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 77% | 0.766 | 68% | 0.677 | S | S | * | * | cis | -174.4 | 144.1 | -11.3 | 168.5 | -176.4 | -166.3 | -169.5 | 5.6 | 110.7 | ||||
| 2003 | L | 28.8 | Very low | 30.7 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 68% | 0.681 | 68% | 0.684 | S | S | * | * | trans | 22 | 152.8 | 155 | -50.5 | 168.1 | 0 | 0 | 0 | 120.7 | ||||
| 2004 | Q | 27.5 | Very low | 30.4 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 65% | 0.654 | 69% | 0.692 | S | S | * | * | cis | 174.8 | 141.2 | 49.2 | -153.1 | 173.4 | 34.6 | 0 | 0 | 114.2 | ||||
| 2005 | K | 29 | Very low | 30.5 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 70% | 0.704 | 69% | 0.692 | S | S | * | * | trans | 61.8 | 166.8 | 149.2 | -80.1 | 172.8 | -171.1 | 177.3 | 0 | 119.5 | ||||
| 2006 | Q | 27.3 | Very low | 30.4 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 61% | 0.612 | 70% | 0.699 | S | S | * | * | cis | -158.1 | 153.8 | 2.8 | -136.6 | 166 | -53 | 0 | 0 | 113.5 | ||||
| 2007 | H | 30.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 138 Ų | 138 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | trans | 66 | 157.7 | 148.3 | -77.8 | -17.2 | 0 | 0 | 0 | 119.8 | ||||
| 2008 | N | 29.8 | Very low | 30 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 52% | 0.519 | 70% | 0.7 | S | S | . | * | cis | -157.2 | 153 | 2 | -127.5 | -5.9 | 0 | 0 | 0 | 113.4 | ||||
| 2009 | Q | 28.4 | Very low | 30 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | trans | 53.2 | 147.2 | 142.2 | -68.2 | 163 | -22.4 | 0 | 0 | 120 | ||||
| 2010 | H | 31.3 | Very low | 29.8 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | cis | -151.9 | -162.8 | -0.8 | -124.1 | -53.2 | 0 | 0 | 0 | 106.4 | ||||
| 2011 | L | 31.3 | Very low | 29.5 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | cis | -148.6 | -161.2 | 10 | -137.8 | 173.7 | 0 | 0 | 0 | 108.4 | ||||
| 2012 | D | 29.7 | Very low | 29.4 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | trans | -127.5 | 153.6 | -172.3 | -55.8 | -99.4 | 0 | 0 | 0 | 111 | ||||
| 2013 | D | 32.6 | Very low | 29.4 | Very low | 157 Ų | 157 | 148 Ų | 148 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | -167.6 | 170.4 | 122.2 | -125.3 | -30.8 | 0 | 0 | 0 | 115.3 | |||||
| 2014 | S | 28.9 | Very low | 29.4 | Very low | 106 Ų | 106 | 153.6 Ų | 153.6 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | -150.2 | 165.8 | -121.8 | 64.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 2015 | G | 32.9 | Very low | 29.2 | Very low | 69 Ų | 69 | 158.2 Ų | 158.2 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | 115.9 | 163.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2016 | L | 29.9 | Very low | 29.2 | Very low | 155 Ų | 155 | 155.4 Ų | 155.4 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | cis | -161.3 | 152.9 | -8.1 | -104.8 | 173.3 | 0 | 0 | 0 | 111.6 | ||||
| 2017 | L | 29.6 | Very low | 29.2 | Very low | 137 Ų | 137 | 154.6 Ų | 154.6 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | 58.1 | 98.8 | 152.4 | -59.5 | 168.4 | 0 | 0 | 0 | 120.3 | ||||
| 2018 | T | 27.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 154.6 Ų | 154.6 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | 65.7 | 121 | 75.3 | 71.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 2019 | R | 30.6 | Very low | 28.8 | Very low | 242 Ų | 242 | 155.6 Ų | 155.6 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | 173.7 | 151 | 132.4 | -98.5 | 179.5 | -177.7 | -154.5 | 3.4 | 110.7 | ||||
| 2020 | R | 28.4 | Very low | 28.6 | Very low | 216 Ų | 216 | 153 Ų | 153 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | cis | -164.1 | 136 | -42.1 | -130.4 | -177.8 | -173.6 | -171.9 | 3.3 | 109.6 | ||||
| 2021 | R | 26.3 | Very low | 28.3 | Very low | 223 Ų | 223 | 153 Ų | 153 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | 1.9 | 136.2 | 156.8 | -55.8 | 171.8 | 178.4 | 169.7 | -2.4 | 119 | ||||
| 2022 | K | 30.9 | Very low | 27.9 | Very low | 196 Ų | 196 | 151.2 Ų | 151.2 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | -176.3 | 106 | 116 | -100.7 | 166.9 | -177.9 | -177.6 | 0 | 115.7 | |||||
| 2023 | T | 26.3 | Very low | 27.6 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 26 | 127.5 | 125.8 | 60 | 0 | 0 | 0 | 0 | 121 | |||||
| 2024 | R | 29 | Very low | 27.2 | Very low | 249 Ų | 249 | 152.5 Ų | 152.5 | 94% | 0.94 | 75% | 0.752 | S | S | * | * | -172.1 | 137.5 | 108.3 | -103.5 | 173.1 | -178.8 | -166.6 | -1.1 | 115.5 | |||||
| 2025 | R | 23.8 | Very low | 27 | Very low | 236 Ų | 236 | 156.8 Ų | 156.8 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | trans | -50 | 175.8 | 153.6 | -89.6 | -178.7 | -174.7 | -175 | 1.7 | 113.8 | ||||
| 2026 | P | 29.5 | Very low | 26.7 | Very low | 104 Ų | 104 | 161.4 Ų | 161.4 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | cis | -141.9 | -177.3 | -0.9 | 34.1 | -10.7 | 0 | 0 | 0 | 117.2 | ||||
| 2027 | T | 26 | Very low | 26.6 | Very low | 113 Ų | 113 | 163.2 Ų | 163.2 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | trans | 26.5 | 137.3 | 140.4 | 63 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 2028 | L | 25.3 | Very low | 26.5 | Very low | 146 Ų | 146 | 164.9 Ų | 164.9 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | 47.7 | 133.2 | 128.2 | -66.1 | 161.9 | 0 | 0 | 0 | 119.4 | |||||
| 2029 | P | 26.6 | Very low | 26.8 | Very low | 117 Ų | 117 | 163.7 Ų | 163.7 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | -134.7 | 162.5 | 74.2 | 41.4 | -31.3 | 0 | 0 | 0 | 115.9 | |||||
| 2030 | P | 24.5 | Very low | 26.6 | Very low | 93 Ų | 93 | 160.3 Ų | 160.3 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | trans | -77.8 | -156.2 | 154.5 | 36.1 | -30.3 | 0 | 0 | 0 | 109.3 | ||||
| 2031 | L | 24.5 | Very low | 26.5 | Very low | 148 Ų | 148 | 156.5 Ų | 156.5 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 76.2 | 148.2 | 175.9 | -51.4 | 172.9 | 0 | 0 | 0 | 115.6 | ||||
| 2032 | N | 24.2 | Very low | 26.5 | Very low | 110 Ų | 110 | 151.8 Ų | 151.8 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | cis | -161.6 | 172 | -37.9 | -141.9 | -29.2 | 0 | 0 | 0 | 110.7 | ||||
| 2033 | F | 23.2 | Very low | 26.3 | Very low | 137 Ų | 137 | 149.1 Ų | 149.1 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | trans | 49 | 110.8 | 146.7 | -71 | -43.4 | 0 | 0 | 0 | 122.3 | ||||
| 2034 | R | 23.8 | Very low | 26.5 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | 76.6 | 141.6 | 115.9 | -77.3 | 168.7 | 172.1 | 169.2 | -2.5 | 121.1 | |||||
| 2035 | R | 24.6 | Very low | 26.2 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | trans | 75.6 | 134.2 | 139.8 | -77.5 | 165.5 | -174.6 | 178.5 | -2.8 | 115.1 | ||||
| 2036 | K | 26.8 | Very low | 26.6 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | cis | -155 | 151.4 | 22.9 | -109 | 156.2 | 176.3 | -174.3 | 0 | 111.9 | ||||
| 2037 | Y | 27.7 | Very low | 26.6 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | trans | 46.7 | 115.2 | 158.5 | -57.3 | -63.1 | 0 | 0 | 0 | 120.1 | ||||
| 2038 | H | 27.4 | Very low | 26.7 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | 72.7 | 143.4 | 69.6 | -83.6 | -97 | 0 | 0 | 0 | 114.8 | |||||
| 2039 | P | 33 | Very low | 27 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 59% | 0.591 | 73% | 0.733 | S | S | * | * | cis | -145.1 | 173.1 | -24.7 | 35.3 | -14.2 | 0 | 0 | 0 | 118.1 | ||||
| 2040 | H | 26.9 | Very low | 27.1 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | trans | 94.4 | 143.1 | 153.3 | -63.1 | -57.5 | 0 | 0 | 0 | 124.2 | ||||
| 2041 | T | 26.8 | Very low | 27.2 | Very low | 137 Ų | 137 | 146 Ų | 146 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | 72.8 | 123.7 | 167.3 | 52.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2042 | P | 26.6 | Very low | 27.3 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -125.8 | 139.5 | -177 | 40.3 | -26.8 | 0 | 0 | 0 | 117.1 | ||||
| 2043 | V | 25.5 | Very low | 27.5 | Very low | 141 Ų | 141 | 148 Ų | 148 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -151.7 | 166 | 166.7 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2044 | V | 29.9 | Very low | 27.8 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | 82.6 | 100.7 | 174.1 | -170.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2045 | S | 24.4 | Very low | 28 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 78.4 | 122.7 | 71.9 | -58.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 2046 | P | 31.6 | Very low | 28.3 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | -136.3 | 149.1 | 125.7 | 37.4 | -27.8 | 0 | 0 | 0 | 114.7 | |||||
| 2047 | S | 28.4 | Very low | 28.4 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | trans | -94.7 | 173.7 | 172.1 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2048 | F | 28.5 | Very low | 28.5 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | cis | -114 | 144.4 | -4.6 | -82.9 | -103.7 | 0 | 0 | 0 | 109.3 | M106 | M106-F2048 HydrophobicContact CE-CE1 4Å; M106-F2048 HydrophobicContact CE-CZ 3.87Å; M106-F2048 HydrophobicContact CG-CD1 4.49Å; M106-F2048 HydrophobicContact CG-CE1 3.92Å; M106-F2048 HydrophobicContact SD-CD1 4.45Å; M106-F2048 HydrophobicContact SD-CE1 3.42Å; M106-F2048 WeakPolarHBondContact SD-CE1 3.33Å; M106-F2048 HydrophobicContact SD-CZ 3.67Å | ||
| 2049 | K | 32.8 | Very low | 28.6 | Very low | 218 Ų | 218 | 134.8 Ų | 134.8 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | trans | -166.1 | 0 | -154.9 | -153.4 | 175.4 | -174.3 | 175.6 | 0 | 114.9 | K9 | K9-K2049 WeakPolarHBondContact CE-OXT 3.34Å; K9-K2049 PolarHBondContact NZ-OXT 3.46Å |
Retrieved 2,049 of 2,049 residues in 643.2 ms
(Link to these results)