| 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 | 68.1 | Low | 93.2 | Very high | 241 Ų | 241 | 83.7 Ų | 83.7 | 100% | 1.187 | 41% | 0.411 | S | S | * | . | 0 | 128 | 0 | -71.7 | -174.6 | -134.1 | 0 | 0 | 107 | |||||
| 2 | D | 81.9 | Confident | 93.6 | Very high | 126 Ų | 126 | 86.9 Ų | 86.9 | 67% | 0.674 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 150.1 | 176.5 | -63.4 | -32.4 | 0 | 0 | 0 | 110.2 | P35 | D2-P35 HydrophobicContact CB-CB 4.49Å; D2-P35 HydrophobicContact CB-CG 3.51Å |
| 3 | K | 92.1 | Very high | 93.9 | Very high | 192 Ų | 192 | 87.2 Ų | 87.2 | 84% | 0.835 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 137.1 | 177.4 | -70.9 | -178.5 | 178.9 | 178 | 0 | 109.8 | P35 | K3-P35 WeakPolarHBondContact O-CG 3.48Š|
| 4 | P | 96.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 82.3 Ų | 82.3 | 29% | 0.292 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -55 | 145.6 | 174.1 | -25.8 | 34.8 | 0 | 0 | 0 | 111.9 | T6 P36 E38 | P4-T6 PolarHBondContact O-N 2.85Å; P4-P36 WeakPolarHBondContact CA-O 3.19Å; P4-P36 WeakPolarHBondContact CB-O 3.27Å; P4-E38 HydrophobicContact CB-CB 4.23Å; P4-E38 HydrophobicContact CB-CG 3.94Å; P4-E38 HydrophobicContact CG-CB 4.4Å; P4-E38 HydrophobicContact CG-CG 3.9Å; P4-E38 WeakPolarHBondContact CG-OE1 3.08Å; P4-E38 WeakPolarHBondContact CG-OE2 3.28Å |
| 5 | T | 97.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 81.1 Ų | 81.1 | 4% | 0.037 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 127.9 | 175.3 | -64.3 | 0 | 0 | 0 | 0 | 109.1 | E9 A10 Q33 P35 P36 I37 | T5-E9 HydrophobicContact CG2-CB 3.95Å; T5-A10 HydrophobicContact CG2-CB 3.96Å; T5-Q33 HydrophobicContact CG2-CB 4.26Å; T5-Q33 HydrophobicContact CG2-CG 4.18Å; T5-P35 WeakPolarHBondContact CB-O 3.11Å; T5-P35 PolarHBondContact OG1-O 3.19Å; T5-P36 PolarHBondContact N-O 3.29Å; T5-P36 VanDerWaalsContact N-O 3.14Å; T5-I37 HydrophobicContact CG2-CG1 4.43Å; T5-I37 WeakPolarHBondContact O-CA 3.21Å; T5-I37 WeakPolarHBondContact O-CG1 3.24Å |
| 6 | T | 98.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 84.1 Ų | 84.1 | 34% | 0.344 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 160.4 | 172.2 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | P4 K8 E9 A10 | P4-T6 PolarHBondContact O-N 2.85Å; T6-K8 PolarHBondContact O-N 3.35Å; T6-E9 WeakPolarHBondContact CB-OE2 3.19Å; T6-E9 PolarHBondContact N-OE2 3.05Å; T6-E9 PolarHBondContact O-N 2.77Å; T6-E9 WeakPolarHBondContact OG1-CB 3.28Å; T6-E9 WeakPolarHBondContact OG1-CG 3.36Å; T6-E9 PolarHBondContact OG1-N 3.06Å; T6-E9 VanDerWaalsContact OG1-N 3.13Å; T6-E9 PolarHBondContact OG1-OE2 2.93Å; T6-A10 PolarHBondContact O-N 3.12Å |
| 7 | I | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 173.6 | -61.3 | -62.2 | 0 | 0 | 0 | 110 | E9 A10 I11 L30 I37 D41 L44 L55 | I7-E9 VanDerWaalsContact C-N 3.33Å; I7-E9 PolarHBondContact O-N 2.84Å; I7-A10 PolarHBondContact O-N 3.12Å; I7-I11 HydrophobicContact CG2-CD1 3.64Å; I7-I11 HydrophobicContact CG2-CG1 4.1Å; I7-I11 WeakPolarHBondContact O-CB 3.38Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.24Å; I7-I11 PolarHBondContact O-N 3.49Å; I7-L30 HydrophobicContact CG2-CD1 4.3Å; I7-I37 HydrophobicContact CD1-CD1 3.99Å; I7-I37 HydrophobicContact CD1-CG2 3.9Å; I7-D41 VanDerWaalsContact CB-OD2 3.3Å; I7-D41 WeakPolarHBondContact CB-OD2 3.32Å; I7-D41 PolarHBondContact N-OD2 2.95Å; I7-L44 HydrophobicContact CD1-CD2 4.29Å; I7-L44 HydrophobicContact CG1-CD2 4.43Å; I7-L44 HydrophobicContact CG1-CG 4.27Å; I7-L44 HydrophobicContact CG2-CD2 3.59Å; I7-L44 HydrophobicContact CG2-CG 3.85Å; I7-L55 HydrophobicContact CD1-CD2 3.84Å |
| 8 | K | 97.9 | Very high | 95.1 | Very high | 149 Ų | 149 | 87.6 Ų | 87.6 | 65% | 0.648 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -56.1 | -46.4 | 176.8 | -172.9 | 176.5 | 178.6 | 178.4 | 0 | 112.2 | T6 K12 | T6-K8 PolarHBondContact O-N 3.35Å; K8-K12 WeakPolarHBondContact O-CB 3.37Å; K8-K12 PolarHBondContact O-N 3Å |
| 9 | E | 98.1 | Very high | 95.2 | Very high | 95 Ų | 95 | 86.9 Ų | 86.9 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69 | -40.6 | 178.1 | -72.2 | 160 | 155.6 | 0 | 0 | 111.8 | T5 T6 I7 K12 K13 | T5-E9 HydrophobicContact CG2-CB 3.95Å; T6-E9 WeakPolarHBondContact CB-OE2 3.19Å; T6-E9 PolarHBondContact N-OE2 3.05Å; T6-E9 PolarHBondContact O-N 2.77Å; T6-E9 WeakPolarHBondContact OG1-CB 3.28Å; T6-E9 WeakPolarHBondContact OG1-CG 3.36Å; T6-E9 PolarHBondContact OG1-N 3.06Å; T6-E9 VanDerWaalsContact OG1-N 3.13Å; T6-E9 PolarHBondContact OG1-OE2 2.93Å; I7-E9 VanDerWaalsContact C-N 3.33Å; I7-E9 PolarHBondContact O-N 2.84Å; E9-K12 PolarHBondContact O-N 3.03Å; E9-K13 WeakPolarHBondContact O-CB 3.49Å; E9-K13 VanDerWaalsContact O-CG 3.32Å; E9-K13 WeakPolarHBondContact O-CG 3.47Å; E9-K13 PolarHBondContact O-N 2.96Å |
| 10 | A | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T5 T6 I7 K13 W14 L30 Q33 I37 | T5-A10 HydrophobicContact CG2-CB 3.96Å; T6-A10 PolarHBondContact O-N 3.12Å; I7-A10 PolarHBondContact O-N 3.12Å; A10-K13 PolarHBondContact O-N 3.07Å; A10-W14 WeakPolarHBondContact O-CB 3.46Å; A10-W14 PolarHBondContact O-N 3.08Å; A10-L30 HydrophobicContact CB-CB 4.35Å; A10-L30 HydrophobicContact CB-CD1 4.5Å; A10-L30 HydrophobicContact CB-CD2 4.16Å; A10-Q33 HydrophobicContact CB-CG 4.08Å; A10-I37 HydrophobicContact CB-CD1 3.97Å |
| 11 | I | 98.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 89.1 Ų | 89.1 | 6% | 0.056 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.9 | -51.2 | 174 | -72.1 | 171.1 | 0 | 0 | 0 | 109.7 | I7 K13 W14 E15 A22 L30 L47 | I7-I11 HydrophobicContact CG2-CD1 3.64Å; I7-I11 HydrophobicContact CG2-CG1 4.1Å; I7-I11 WeakPolarHBondContact O-CB 3.38Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.24Å; I7-I11 PolarHBondContact O-N 3.49Å; I11-K13 PolarHBondContact O-N 2.94Å; I11-W14 CarbonylContact O-C 3.5Å; I11-W14 WeakPolarHBondContact O-CA 3.08Å; I11-W14 WeakPolarHBondContact O-CB 3.36Å; I11-W14 PolarHBondContact O-N 2.63Å; I11-E15 HydrophobicContact CG2-CG 4.2Å; I11-E15 WeakPolarHBondContact O-CG 3.34Å; I11-E15 PolarHBondContact O-N 3.21Å; I11-A22 HydrophobicContact CG2-CB 3.65Å; I11-L30 HydrophobicContact CG1-CD1 3.96Å; I11-L30 HydrophobicContact CG1-CD2 4.28Å; I11-L47 HydrophobicContact CD1-CD1 4.49Å; I11-L47 HydrophobicContact CD1-CD2 3.87Å; I11-L47 HydrophobicContact CD1-CG 4.25Å; I11-L47 HydrophobicContact CG1-CD2 4.28Å |
| 12 | K | 98.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 77.7 Ų | 77.7 | 53% | 0.53 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.6 | -47.6 | 179.4 | -178.7 | 179.1 | 169.6 | -178.3 | 0 | 112 | K8 E9 W14 E15 E16 | K8-K12 WeakPolarHBondContact O-CB 3.37Å; K8-K12 PolarHBondContact O-N 3Å; E9-K12 PolarHBondContact O-N 3.03Å; K12-W14 VanDerWaalsContact C-N 3.27Å; K12-W14 PolarHBondContact O-N 3.44Å; K12-E15 PolarHBondContact O-N 3.24Å; K12-E16 WeakPolarHBondContact CE-OE1 3.29Å; K12-E16 IonicContact NZ-OE1 3.56Å; K12-E16 WeakPolarHBondContact O-CB 3.13Å; K12-E16 VanDerWaalsContact O-CG 3.32Å; K12-E16 WeakPolarHBondContact O-CG 3.32Å; K12-E16 PolarHBondContact O-N 3.13Å |
| 13 | K | 97.9 | Very high | 97.5 | Very high | 90 Ų | 90 | 73 Ų | 73 | 39% | 0.391 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 175.5 | -72.4 | 173.3 | -177.4 | 175.9 | 0 | 111.7 | E9 A10 I11 K17 | E9-K13 WeakPolarHBondContact O-CB 3.49Å; E9-K13 VanDerWaalsContact O-CG 3.32Å; E9-K13 WeakPolarHBondContact O-CG 3.47Å; E9-K13 PolarHBondContact O-N 2.96Å; A10-K13 PolarHBondContact O-N 3.07Å; I11-K13 PolarHBondContact O-N 2.94Å; K13-K17 VanDerWaalsContact O-CB 3.26Å; K13-K17 WeakPolarHBondContact O-CB 3.41Å; K13-K17 PolarHBondContact O-N 3.17Å |
| 14 | W | 98.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 69.7 Ų | 69.7 | 7% | 0.072 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 178.1 | 179.5 | 89.5 | 0 | 0 | 0 | 112 | A10 I11 K12 K17 T18 Q20 A22 A25 E27 V28 L30 | A10-W14 WeakPolarHBondContact O-CB 3.46Å; A10-W14 PolarHBondContact O-N 3.08Å; I11-W14 CarbonylContact O-C 3.5Å; I11-W14 WeakPolarHBondContact O-CA 3.08Å; I11-W14 WeakPolarHBondContact O-CB 3.36Å; I11-W14 PolarHBondContact O-N 2.63Å; K12-W14 VanDerWaalsContact C-N 3.27Å; K12-W14 PolarHBondContact O-N 3.44Å; W14-K17 PolarHBondContact O-N 2.86Å; W14-T18 HydrophobicContact CD2-CG2 4.21Å; W14-T18 HydrophobicContact CG-CG2 4.45Å; W14-T18 HydrophobicContact CZ2-CG2 4.1Å; W14-T18 WeakPolarHBondContact O-CB 3.46Å; W14-T18 WeakPolarHBondContact O-CG2 3.23Å; W14-T18 PolarHBondContact O-N 3.22Å; W14-T18 PolarHBondContact O-OG1 3.18Å; W14-Q20 HydrophobicContact CH2-CB 3.75Å; W14-Q20 HydrophobicContact CZ3-CB 3.94Å; W14-A22 HydrophobicContact CE3-CB 3.93Å; W14-A22 HydrophobicContact CZ3-CB 3.81Å; W14-A25 HydrophobicContact CH2-CB 3.5Å; W14-A25 VanDerWaalsContact CH2-CB 3.5Å; W14-A25 HydrophobicContact CZ2-CB 4.33Å; W14-A25 HydrophobicContact CZ3-CB 4.18Å; W14-E27 WeakPolarHBondContact CZ2-O 3.42Å; W14-V28 HydrophobicContact CD2-CG1 4.16Å; W14-V28 HydrophobicContact CE3-CG1 4.45Å; W14-V28 HydrophobicContact CG-CG1 4.5Å; W14-V28 HydrophobicContact CH2-CG2 4.47Å; W14-L30 HydrophobicContact CB-CD2 3.91Å; W14-L30 HydrophobicContact CG-CD2 4.25Å |
| 15 | E | 98.3 | Very high | 97.8 | Very high | 64 Ų | 64 | 67.8 Ų | 67.8 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 175.5 | -66.9 | -177.6 | 141.8 | 0 | 0 | 110.8 | I11 K12 K17 T18 G19 Q20 A22 | I11-E15 HydrophobicContact CG2-CG 4.2Å; I11-E15 WeakPolarHBondContact O-CG 3.34Å; I11-E15 PolarHBondContact O-N 3.21Å; K12-E15 PolarHBondContact O-N 3.24Å; E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 3.2Å; E15-T18 PolarHBondContact O-N 2.81Å; E15-G19 WeakPolarHBondContact O-CA 3.39Å; E15-G19 PolarHBondContact O-N 3.16Å; E15-Q20 WeakPolarHBondContact CA-O 3.45Å; E15-Q20 WeakPolarHBondContact CB-O 3.39Å; E15-Q20 WeakPolarHBondContact CG-O 3.36Å; E15-A22 HydrophobicContact CG-CB 3.87Å; E15-A22 WeakPolarHBondContact OE1-CB 3.48Å; E15-A22 PolarHBondContact OE1-N 3.24Å |
| 16 | E | 97.9 | Very high | 97.8 | Very high | 129 Ų | 129 | 71.3 Ų | 71.3 | 60% | 0.603 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59 | -41.2 | 175.5 | -73.1 | 170.7 | 175.8 | 0 | 0 | 112.2 | K12 | K12-E16 WeakPolarHBondContact CE-OE1 3.29Å; K12-E16 IonicContact NZ-OE1 3.56Å; K12-E16 WeakPolarHBondContact O-CB 3.13Å; K12-E16 VanDerWaalsContact O-CG 3.32Å; K12-E16 WeakPolarHBondContact O-CG 3.32Å; K12-E16 PolarHBondContact O-N 3.13Å |
| 17 | K | 97.6 | Very high | 97.9 | Very high | 178 Ų | 178 | 71.6 Ų | 71.6 | 77% | 0.774 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.8 | -35.3 | -179.7 | -179.4 | 178.3 | 178.1 | -179.9 | 0 | 113.1 | K13 W14 E15 | K13-K17 VanDerWaalsContact O-CB 3.26Å; K13-K17 WeakPolarHBondContact O-CB 3.41Å; K13-K17 PolarHBondContact O-N 3.17Å; W14-K17 PolarHBondContact O-N 2.86Å; E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 3.2Å |
| 18 | T | 97.5 | Very high | 97.9 | Very high | 53 Ų | 53 | 71.6 Ų | 71.6 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -101.7 | -18 | -171 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | W14 E15 Q20 | W14-T18 HydrophobicContact CD2-CG2 4.21Å; W14-T18 HydrophobicContact CG-CG2 4.45Å; W14-T18 HydrophobicContact CZ2-CG2 4.1Å; W14-T18 WeakPolarHBondContact O-CB 3.46Å; W14-T18 WeakPolarHBondContact O-CG2 3.23Å; W14-T18 PolarHBondContact O-N 3.22Å; W14-T18 PolarHBondContact O-OG1 3.18Å; E15-T18 PolarHBondContact O-N 2.81Å; T18-Q20 PolarHBondContact O-N 3.31Å; T18-Q20 PolarHBondContact OG1-N 3.02Å |
| 19 | G | 97.3 | Very high | 97.9 | Very high | 76 Ų | 76 | 68.6 Ų | 68.6 | 78% | 0.784 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 69 | 6.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | E15 | E15-G19 WeakPolarHBondContact O-CA 3.39Å; E15-G19 PolarHBondContact O-N 3.16Å |
| 20 | Q | 97.3 | Very high | 97.9 | Very high | 106 Ų | 106 | 64 Ų | 64 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | trans | -97 | 155.6 | 179.8 | -66.1 | 176.9 | 60.1 | 0 | 0 | 110.7 | W14 E15 T18 | W14-Q20 HydrophobicContact CH2-CB 3.75Å; W14-Q20 HydrophobicContact CZ3-CB 3.94Å; E15-Q20 WeakPolarHBondContact CA-O 3.45Å; E15-Q20 WeakPolarHBondContact CB-O 3.39Å; E15-Q20 WeakPolarHBondContact CG-O 3.36Å; T18-Q20 PolarHBondContact O-N 3.31Å; T18-Q20 PolarHBondContact OG1-N 3.02Å | ||
| 21 | K | 97.4 | Very high | 97.9 | Very high | 114 Ų | 114 | 69.9 Ų | 69.9 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | trans | -91.7 | 121.1 | 170 | -171.2 | 176.1 | 165.1 | -152.8 | 0 | 109.3 | S23 E24 A25 | K21-S23 WeakPolarHBondContact CE-OG 3.4Å; K21-S23 PolarHBondContact O-N 2.88Å; K21-S23 VanDerWaalsContact O-N 3.15Å; K21-E24 WeakPolarHBondContact CD-OE1 2.99Å; K21-E24 IonicContact NZ-OE1 3.47Å; K21-E24 PolarHBondContact NZ-OE1 3.34Å; K21-E24 PolarHBondContact O-N 3.09Å; K21-A25 PolarHBondContact O-N 3.19Å | ||
| 22 | A | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -25.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I11 W14 E15 E24 A25 L47 | I11-A22 HydrophobicContact CG2-CB 3.65Å; W14-A22 HydrophobicContact CE3-CB 3.93Å; W14-A22 HydrophobicContact CZ3-CB 3.81Å; E15-A22 HydrophobicContact CG-CB 3.87Å; E15-A22 WeakPolarHBondContact OE1-CB 3.48Å; E15-A22 PolarHBondContact OE1-N 3.24Å; A22-E24 PolarHBondContact O-N 2.89Å; A22-A25 PolarHBondContact O-N 3.4Å; A22-L47 HydrophobicContact CB-CD2 3.54Å |
| 23 | S | 96.7 | Very high | 97.8 | Very high | 27 Ų | 27 | 67 Ų | 67 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -21.2 | 175.4 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | K21 T46 T48 M49 | K21-S23 WeakPolarHBondContact CE-OG 3.4Å; K21-S23 PolarHBondContact O-N 2.88Å; K21-S23 VanDerWaalsContact O-N 3.15Å; S23-T46 VanDerWaalsContact CA-O 3.24Å; S23-T46 WeakPolarHBondContact CA-O 2.9Å; S23-T46 WeakPolarHBondContact CB-O 3.5Å; S23-T48 PolarHBondContact O-OG1 2.93Å; S23-T48 VanDerWaalsContact O-OG1 3.12Å; S23-M49 VanDerWaalsContact O-CG 3.28Å; S23-M49 WeakPolarHBondContact O-CG 3.38Å; S23-M49 PolarHBondContact O-N 3.39Å |
| 24 | E | 97.4 | Very high | 97.7 | Very high | 124 Ų | 124 | 72 Ų | 72 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -10.5 | -177.2 | -68.9 | 164.5 | -157.7 | 0 | 0 | 112 | K21 A22 | K21-E24 WeakPolarHBondContact CD-OE1 2.99Å; K21-E24 IonicContact NZ-OE1 3.47Å; K21-E24 PolarHBondContact NZ-OE1 3.34Å; K21-E24 PolarHBondContact O-N 3.09Å; A22-E24 PolarHBondContact O-N 2.89Å |
| 25 | A | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.033 | 37% | 0.369 | C | S | . | . | trans | -80.7 | 135 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W14 K21 A22 V28 M49 C50 | W14-A25 HydrophobicContact CH2-CB 3.5Å; W14-A25 VanDerWaalsContact CH2-CB 3.5Å; W14-A25 HydrophobicContact CZ2-CB 4.33Å; W14-A25 HydrophobicContact CZ3-CB 4.18Å; K21-A25 PolarHBondContact O-N 3.19Å; A22-A25 PolarHBondContact O-N 3.4Å; A25-V28 HydrophobicContact CB-CG2 3.98Å; A25-M49 CarbonylContact O-C 3.49Å; A25-C50 WeakPolarHBondContact O-CA 3.34Å; A25-C50 PolarHBondContact O-N 3.23Å | ||
| 26 | T | 98.3 | Very high | 97.6 | Very high | 80 Ų | 80 | 71.3 Ų | 71.3 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -82.9 | -24.7 | 174.4 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | M49 E51 K52 | T26-M49 WeakPolarHBondContact CA-O 3.46Å; T26-E51 PolarHBondContact O-N 3.04Å; T26-K52 PolarHBondContact O-N 3.16Å |
| 27 | E | 98.5 | Very high | 97.6 | Very high | 62 Ų | 62 | 65.2 Ų | 65.2 | 29% | 0.29 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.5 | 175 | -175.8 | 179.6 | -150.6 | 0 | 0 | 110.6 | W14 K29 K52 | W14-E27 WeakPolarHBondContact CZ2-O 3.42Å; E27-K29 HydrophobicContact CG-CG 4.46Å; E27-K29 WeakPolarHBondContact OE1-CE 3.33Å; E27-K29 IonicContact OE1-NZ 2.89Å; E27-K29 PolarHBondContact OE1-NZ 3.04Å; E27-K29 WeakPolarHBondContact OE2-CE 3.35Å; E27-K29 IonicContact OE2-NZ 3.43Å; E27-K29 PolarHBondContact OE2-NZ 3.2Å; E27-K52 WeakPolarHBondContact CA-O 3.45Å; E27-K52 HydrophobicContact CB-CB 4.36Å; E27-K52 HydrophobicContact CG-CB 4.1Å; E27-K52 HydrophobicContact CG-CD 4.02Å; E27-K52 HydrophobicContact CG-CG 4.06Å; E27-K52 VanDerWaalsContact OE1-CD 3.26Å; E27-K52 WeakPolarHBondContact OE1-CD 3.48Å; E27-K52 WeakPolarHBondContact OE1-CE 3.32Å; E27-K52 IonicContact OE1-NZ 3.88Å; E27-K52 PolarHBondContact OE1-NZ 2.91Å |
| 28 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.4 | -179.5 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | W14 A25 L30 L47 C50 K52 L53 S54 | W14-V28 HydrophobicContact CD2-CG1 4.16Å; W14-V28 HydrophobicContact CE3-CG1 4.45Å; W14-V28 HydrophobicContact CG-CG1 4.5Å; W14-V28 HydrophobicContact CH2-CG2 4.47Å; A25-V28 HydrophobicContact CB-CG2 3.98Å; V28-L30 HydrophobicContact CG1-CD1 4.4Å; V28-L30 HydrophobicContact CG1-CD2 3.8Å; V28-L30 HydrophobicContact CG1-CG 3.95Å; V28-L47 HydrophobicContact CB-CD1 4.31Å; V28-L47 HydrophobicContact CG1-CD1 4.15Å; V28-L47 HydrophobicContact CG1-CD2 4.39Å; V28-L47 HydrophobicContact CG2-CD1 4.41Å; V28-L47 HydrophobicContact CG2-CD2 4.24Å; V28-C50 HydrophobicContact CG2-CB 4.46Å; V28-K52 PolarHBondContact N-O 3.23Å; V28-L53 HydrophobicContact CB-CD1 4.32Å; V28-S54 PolarHBondContact O-N 3.32Å |
| 29 | K | 98.5 | Very high | 97.6 | Very high | 86 Ų | 86 | 66.2 Ų | 66.2 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 94.7 | -170.9 | -67.9 | 173.3 | -173.4 | 168.5 | 0 | 111.4 | E27 Y31 | E27-K29 HydrophobicContact CG-CG 4.46Å; E27-K29 WeakPolarHBondContact OE1-CE 3.33Å; E27-K29 IonicContact OE1-NZ 2.89Å; E27-K29 PolarHBondContact OE1-NZ 3.04Å; E27-K29 WeakPolarHBondContact OE2-CE 3.35Å; E27-K29 IonicContact OE2-NZ 3.43Å; E27-K29 PolarHBondContact OE2-NZ 3.2Å; K29-Y31 HydrophobicContact CB-CD1 3.96Å; K29-Y31 HydrophobicContact CB-CE1 3.72Å; K29-Y31 HydrophobicContact CD-CE1 4.06Å; K29-Y31 HydrophobicContact CG-CD1 4.41Å; K29-Y31 HydrophobicContact CG-CE1 4Å |
| 30 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -108.3 | 21.9 | -179.6 | -48.9 | -176.8 | 0 | 0 | 0 | 112.5 | I7 A10 I11 W14 V28 I37 L53 S54 L55 N58 | I7-L30 HydrophobicContact CG2-CD1 4.3Å; A10-L30 HydrophobicContact CB-CB 4.35Å; A10-L30 HydrophobicContact CB-CD1 4.5Å; A10-L30 HydrophobicContact CB-CD2 4.16Å; I11-L30 HydrophobicContact CG1-CD1 3.96Å; I11-L30 HydrophobicContact CG1-CD2 4.28Å; W14-L30 HydrophobicContact CB-CD2 3.91Å; W14-L30 HydrophobicContact CG-CD2 4.25Å; V28-L30 HydrophobicContact CG1-CD1 4.4Å; V28-L30 HydrophobicContact CG1-CD2 3.8Å; V28-L30 HydrophobicContact CG1-CG 3.95Å; L30-I37 HydrophobicContact CB-CD1 4.45Å; L30-L53 HydrophobicContact CD1-CD1 4.22Å; L30-L53 HydrophobicContact CG-CD1 4.44Å; L30-S54 CarbonylContact C-O 3.23Å; L30-S54 VanDerWaalsContact C-O 3.29Å; L30-S54 VanDerWaalsContact CA-O 3.27Å; L30-S54 WeakPolarHBondContact CA-O 3.46Å; L30-S54 WeakPolarHBondContact CB-O 3.47Å; L30-S54 PolarHBondContact N-O 3.17Å; L30-L55 HydrophobicContact CB-CD2 3.84Å; L30-L55 HydrophobicContact CD1-CD2 4.21Å; L30-N58 PolarHBondContact O-ND2 3.36Å; L30-N58 VanDerWaalsContact O-ND2 3.16Å | ||
| 31 | Y | 97.1 | Very high | 97.7 | Very high | 122 Ų | 122 | 59.8 Ų | 59.8 | 48% | 0.478 | 29% | 0.29 | S | S | . | . | trans | -73.1 | 158.8 | -179.7 | 61.7 | -107 | 0 | 0 | 0 | 112 | K29 Q33 S54 S56 | K29-Y31 HydrophobicContact CB-CD1 3.96Å; K29-Y31 HydrophobicContact CB-CE1 3.72Å; K29-Y31 HydrophobicContact CD-CE1 4.06Å; K29-Y31 HydrophobicContact CG-CD1 4.41Å; K29-Y31 HydrophobicContact CG-CE1 4Å; Y31-Q33 PolarHBondContact O-N 2.82Å; Y31-Q33 PolarHBondContact O-NE2 3.35Å; Y31-S54 PolarHBondContact N-O 3.21Å; Y31-S56 CarbonylContact C-O 3.6Å; Y31-S56 WeakPolarHBondContact CA-O 3.39Å; Y31-S56 WeakPolarHBondContact CB-O 3.37Å | ||
| 32 | G | 97.1 | Very high | 97.7 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 61 | 37.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S56 T57 | G32-S56 PolarHBondContact N-O 2.84Å; G32-T57 WeakPolarHBondContact CA-O 3.3Å; G32-T57 PolarHBondContact N-O 3.15Å; G32-T57 VanDerWaalsContact N-O 3.15Å |
| 33 | Q | 97.8 | Very high | 97.7 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | trans | -67.5 | 149.3 | 179.4 | -62 | -58.1 | -63.5 | 0 | 0 | 111.1 | T5 A10 Y31 P35 P36 I37 N58 | T5-Q33 HydrophobicContact CG2-CB 4.26Å; T5-Q33 HydrophobicContact CG2-CG 4.18Å; A10-Q33 HydrophobicContact CB-CG 4.08Å; Y31-Q33 PolarHBondContact O-N 2.82Å; Y31-Q33 PolarHBondContact O-NE2 3.35Å; Q33-P35 CarbonylContact C-O 3.53Å; Q33-P35 VanDerWaalsContact C-O 3.3Å; Q33-P35 WeakPolarHBondContact CB-O 3.05Å; Q33-P35 CarbonylContact O-C 3.2Å; Q33-P36 VanDerWaalsContact O-CA 3.29Å; Q33-P36 WeakPolarHBondContact O-CA 3.4Å; Q33-I37 HydrophobicContact CB-CD1 4.43Å; Q33-I37 HydrophobicContact CB-CG1 4.14Å; Q33-I37 HydrophobicContact CG-CD1 3.53Å; Q33-I37 HydrophobicContact CG-CG1 3.73Å; Q33-N58 PolarHBondContact N-OD1 2.94Å | ||
| 34 | Y | 95.6 | Very high | 97.8 | Very high | 194 Ų | 194 | 57.5 Ų | 57.5 | 76% | 0.761 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -133 | 116.5 | 172.1 | -168.1 | -94.7 | 0 | 0 | 0 | 110 | ||
| 35 | P | 96.7 | Very high | 97.8 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 20% | 0.195 | 29% | 0.285 | C | S | . | . | S | Bend | cis | -56.2 | 156.6 | -11.6 | -23.7 | 36.1 | 0 | 0 | 0 | 113 | D2 K3 T5 Q33 | D2-P35 HydrophobicContact CB-CB 4.49Å; D2-P35 HydrophobicContact CB-CG 3.51Å; K3-P35 WeakPolarHBondContact O-CG 3.48Å; T5-P35 WeakPolarHBondContact CB-O 3.11Å; T5-P35 PolarHBondContact OG1-O 3.19Å; Q33-P35 CarbonylContact C-O 3.53Å; Q33-P35 VanDerWaalsContact C-O 3.3Å; Q33-P35 WeakPolarHBondContact CB-O 3.05Å; Q33-P35 CarbonylContact O-C 3.2Å |
| 36 | P | 97.9 | Very high | 97.7 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 25% | 0.253 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -67 | 158.9 | -175.1 | 27.9 | -35.1 | 0 | 0 | 0 | 112.8 | P4 T5 Q33 C59 | P4-P36 WeakPolarHBondContact CA-O 3.19Å; P4-P36 WeakPolarHBondContact CB-O 3.27Å; T5-P36 PolarHBondContact N-O 3.29Å; T5-P36 VanDerWaalsContact N-O 3.14Å; Q33-P36 VanDerWaalsContact O-CA 3.29Å; Q33-P36 WeakPolarHBondContact O-CA 3.4Å; P36-C59 HydrophobicContact CB-CB 4.31Å; P36-C59 HydrophobicContact CG-CB 4.37Å |
| 37 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 125.4 | 167.5 | -62.7 | 158.6 | 0 | 0 | 0 | 108.5 | T5 I7 A10 L30 Q33 K39 L55 N58 C59 I60 | T5-I37 HydrophobicContact CG2-CG1 4.43Å; T5-I37 WeakPolarHBondContact O-CA 3.21Å; T5-I37 WeakPolarHBondContact O-CG1 3.24Å; I7-I37 HydrophobicContact CD1-CD1 3.99Å; I7-I37 HydrophobicContact CD1-CG2 3.9Å; A10-I37 HydrophobicContact CB-CD1 3.97Å; L30-I37 HydrophobicContact CB-CD1 4.45Å; Q33-I37 HydrophobicContact CB-CD1 4.43Å; Q33-I37 HydrophobicContact CB-CG1 4.14Å; Q33-I37 HydrophobicContact CG-CD1 3.53Å; Q33-I37 HydrophobicContact CG-CG1 3.73Å; I37-K39 WeakPolarHBondContact CG2-O 3.48Å; I37-L55 HydrophobicContact CD1-CD2 3.92Å; I37-N58 HydrophobicContact CB-CB 4.13Å; I37-N58 PolarHBondContact N-OD1 3.28Å; I37-N58 WeakPolarHBondContact O-CB 3.25Å; I37-C59 CarbonylContact O-C 3.31Å; I37-C59 WeakPolarHBondContact O-CA 3.21Å; I37-C59 PolarHBondContact O-N 2.78Å; I37-I60 HydrophobicContact CB-CG1 4.49Å; I37-I60 HydrophobicContact CG2-CD1 4.26Å; I37-I60 HydrophobicContact CG2-CG1 3.99Å; I37-I60 PolarHBondContact O-N 3.29Å |
| 38 | E | 97.8 | Very high | 97.6 | Very high | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | trans | -100.2 | -24.8 | 174.3 | -71.5 | 178.8 | -173.3 | 0 | 0 | 112.9 | P4 C59 I60 | P4-E38 HydrophobicContact CB-CB 4.23Å; P4-E38 HydrophobicContact CB-CG 3.94Å; P4-E38 HydrophobicContact CG-CB 4.4Å; P4-E38 HydrophobicContact CG-CG 3.9Å; P4-E38 WeakPolarHBondContact CG-OE1 3.08Å; P4-E38 WeakPolarHBondContact CG-OE2 3.28Å; E38-C59 HydrophobicContact CG-CB 3.99Å; E38-I60 WeakPolarHBondContact O-CA 3.39Å | ||
| 39 | K | 97.8 | Very high | 97.5 | Very high | 163 Ų | 163 | 58.5 Ų | 58.5 | 71% | 0.709 | 31% | 0.308 | S | S | * | . | trans | -138.5 | 132.9 | -174.5 | -64.2 | -179.2 | -176.3 | 173.8 | 0 | 111 | I37 | I37-K39 WeakPolarHBondContact CG2-O 3.48Š| ||
| 40 | M | 98.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 3% | 0.034 | 29% | 0.29 | C | S | . | . | trans | -72.7 | 134.5 | 165.1 | -60.8 | 171.8 | 78 | 0 | 0 | 108.4 | L44 L55 I60 I63 S64 N65 L66 | M40-L44 HydrophobicContact CB-CD1 3.96Å; M40-L44 HydrophobicContact CE-CD1 3.36Å; M40-L44 HydrophobicContact CG-CD1 4.29Å; M40-L55 HydrophobicContact CE-CD1 3.77Å; M40-L55 HydrophobicContact CG-CD1 4.49Å; M40-I60 HydrophobicContact CG-CD1 4.1Å; M40-I60 HydrophobicContact CG-CG2 3.99Å; M40-I60 HydrophobicContact SD-CG2 4.11Å; M40-I63 HydrophobicContact SD-CG2 4.45Å; M40-S64 WeakPolarHBondContact CE-O 3.21Å; M40-S64 PolarHBondContact O-OG 2.81Å; M40-N65 PolarHBondContact O-ND2 3.32Å; M40-L66 HydrophobicContact CE-CD2 3.57Å; M40-L66 HydrophobicContact CE-CG 4.27Å | ||
| 41 | D | 97.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | trans | -125.4 | 172.1 | -179.5 | 72.2 | 57.5 | 0 | 0 | 0 | 111.8 | I7 S43 L44 N65 | I7-D41 VanDerWaalsContact CB-OD2 3.3Å; I7-D41 WeakPolarHBondContact CB-OD2 3.32Å; I7-D41 PolarHBondContact N-OD2 2.95Å; D41-S43 PolarHBondContact O-N 3.29Å; D41-S43 WeakPolarHBondContact OD1-CA 3.31Å; D41-S43 WeakPolarHBondContact OD1-CB 3.45Å; D41-S43 PolarHBondContact OD1-N 2.85Å; D41-S43 PolarHBondContact OD1-OG 2.95Å; D41-L44 PolarHBondContact O-N 3.46Å; D41-N65 WeakPolarHBondContact CA-ND2 3.37Å; D41-N65 WeakPolarHBondContact O-CB 3.38Å | ||
| 42 | A | 97.6 | Very high | 97.6 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -60 | -16.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L44 S45 | A42-L44 PolarHBondContact O-N 3.48Å; A42-L44 VanDerWaalsContact O-N 3.12Å; A42-S45 WeakPolarHBondContact O-CB 3.49Å; A42-S45 PolarHBondContact O-N 3.27Å; A42-S45 PolarHBondContact O-OG 2.78Å |
| 43 | S | 97.9 | Very high | 97.7 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -62.7 | -18.5 | 177.5 | -44.6 | 0 | 0 | 0 | 0 | 112.7 | D41 S45 T46 | D41-S43 PolarHBondContact O-N 3.29Å; D41-S43 WeakPolarHBondContact OD1-CA 3.31Å; D41-S43 WeakPolarHBondContact OD1-CB 3.45Å; D41-S43 PolarHBondContact OD1-N 2.85Å; D41-S43 PolarHBondContact OD1-OG 2.95Å; S43-S45 PolarHBondContact O-N 2.9Å; S43-T46 WeakPolarHBondContact O-CG2 3.21Å; S43-T46 PolarHBondContact O-N 3.2Å; S43-T46 PolarHBondContact O-OG1 3.13Å |
| 44 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -59.4 | -25.3 | 170.4 | -71 | 178.1 | 0 | 0 | 0 | 113 | I7 M40 D41 A42 T46 L47 L53 L66 | I7-L44 HydrophobicContact CD1-CD2 4.29Å; I7-L44 HydrophobicContact CG1-CD2 4.43Å; I7-L44 HydrophobicContact CG1-CG 4.27Å; I7-L44 HydrophobicContact CG2-CD2 3.59Å; I7-L44 HydrophobicContact CG2-CG 3.85Å; M40-L44 HydrophobicContact CB-CD1 3.96Å; M40-L44 HydrophobicContact CE-CD1 3.36Å; M40-L44 HydrophobicContact CG-CD1 4.29Å; D41-L44 PolarHBondContact O-N 3.46Å; A42-L44 PolarHBondContact O-N 3.48Å; A42-L44 VanDerWaalsContact O-N 3.12Å; L44-T46 PolarHBondContact O-N 3.49Å; L44-T46 VanDerWaalsContact O-N 3.17Å; L44-L47 HydrophobicContact CD2-CD1 4.12Å; L44-L47 PolarHBondContact O-N 3.29Å; L44-L53 HydrophobicContact CD2-CD2 3.92Å; L44-L66 HydrophobicContact CD1-CD2 4.42Å |
| 45 | S | 97.1 | Very high | 97.9 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 43% | 0.427 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -68.6 | -11.2 | 179.5 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | A42 S43 L47 | A42-S45 WeakPolarHBondContact O-CB 3.49Å; A42-S45 PolarHBondContact O-N 3.27Å; A42-S45 PolarHBondContact O-OG 2.78Å; S43-S45 PolarHBondContact O-N 2.9Å; S45-L47 VanDerWaalsContact C-N 3.31Å |
| 46 | T | 97.1 | Very high | 98 | Very high | 65 Ų | 65 | 42 Ų | 42 | 40% | 0.399 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -78.5 | -17.4 | 177 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | S23 S43 L44 T48 | S23-T46 VanDerWaalsContact CA-O 3.24Å; S23-T46 WeakPolarHBondContact CA-O 2.9Å; S23-T46 WeakPolarHBondContact CB-O 3.5Å; S43-T46 WeakPolarHBondContact O-CG2 3.21Å; S43-T46 PolarHBondContact O-N 3.2Å; S43-T46 PolarHBondContact O-OG1 3.13Å; L44-T46 PolarHBondContact O-N 3.49Å; L44-T46 VanDerWaalsContact O-N 3.17Å; T46-T48 PolarHBondContact O-N 3.08Å |
| 47 | L | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -82.5 | 54.4 | -176.3 | -51 | -176.7 | 0 | 0 | 0 | 111.2 | I11 A22 V28 L44 S45 M49 C50 L53 L69 | I11-L47 HydrophobicContact CD1-CD1 4.49Å; I11-L47 HydrophobicContact CD1-CD2 3.87Å; I11-L47 HydrophobicContact CD1-CG 4.25Å; I11-L47 HydrophobicContact CG1-CD2 4.28Å; A22-L47 HydrophobicContact CB-CD2 3.54Å; V28-L47 HydrophobicContact CB-CD1 4.31Å; V28-L47 HydrophobicContact CG1-CD1 4.15Å; V28-L47 HydrophobicContact CG1-CD2 4.39Å; V28-L47 HydrophobicContact CG2-CD1 4.41Å; V28-L47 HydrophobicContact CG2-CD2 4.24Å; L44-L47 HydrophobicContact CD2-CD1 4.12Å; L44-L47 PolarHBondContact O-N 3.29Å; S45-L47 VanDerWaalsContact C-N 3.31Å; L47-M49 VanDerWaalsContact C-N 3.26Å; L47-M49 PolarHBondContact O-N 2.8Å; L47-C50 HydrophobicContact CB-CB 3.77Å; L47-C50 VanDerWaalsContact O-CB 3.23Å; L47-C50 WeakPolarHBondContact O-CB 3.48Å; L47-C50 PolarHBondContact O-N 2.78Å; L47-L53 HydrophobicContact CD1-CD1 3.88Å; L47-L69 HydrophobicContact CB-CD2 3.63Å; L47-L69 HydrophobicContact CD1-CD2 4.43Å; L47-L69 WeakPolarHBondContact O-CD2 3.35Å | ||
| 48 | T | 96 | Very high | 98 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 44% | 0.436 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.4 | -167.5 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | S23 T46 N71 | S23-T48 PolarHBondContact O-OG1 2.93Å; S23-T48 VanDerWaalsContact O-OG1 3.12Å; T46-T48 PolarHBondContact O-N 3.08Å; T48-N71 PolarHBondContact O-ND2 3.04Å |
| 49 | M | 97.8 | Very high | 98 | Very high | 93 Ų | 93 | 41.8 Ų | 41.8 | 46% | 0.458 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -0.6 | 178.5 | -61.4 | -56.2 | -68.2 | 0 | 0 | 113.4 | S23 A25 T26 L47 E51 | S23-M49 VanDerWaalsContact O-CG 3.28Å; S23-M49 WeakPolarHBondContact O-CG 3.38Å; S23-M49 PolarHBondContact O-N 3.39Å; A25-M49 CarbonylContact O-C 3.49Å; T26-M49 WeakPolarHBondContact CA-O 3.46Å; L47-M49 VanDerWaalsContact C-N 3.26Å; L47-M49 PolarHBondContact O-N 2.8Å; M49-E51 PolarHBondContact O-N 3.34Å |
| 50 | C | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -70.6 | 121.6 | -171.2 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | A25 V28 L47 K52 L69 N71 L72 | A25-C50 WeakPolarHBondContact O-CA 3.34Å; A25-C50 PolarHBondContact O-N 3.23Å; V28-C50 HydrophobicContact CG2-CB 4.46Å; L47-C50 HydrophobicContact CB-CB 3.77Å; L47-C50 VanDerWaalsContact O-CB 3.23Å; L47-C50 WeakPolarHBondContact O-CB 3.48Å; L47-C50 PolarHBondContact O-N 2.78Å; C50-K52 PolarHBondContact SG-O 2.83Å; C50-L69 HydrophobicContact CB-CD2 4.2Å; C50-N71 CarbonylContact O-C 3.57Å; C50-L72 PolarHBondContact O-N 3.01Å | ||
| 51 | E | 98.7 | Very high | 98 | Very high | 75 Ų | 75 | 39.6 Ų | 39.6 | 35% | 0.35 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -98.7 | -29 | 171.6 | -59.1 | -165.2 | -176.1 | 0 | 0 | 111.8 | T26 M49 N71 K73 I74 | T26-E51 PolarHBondContact O-N 3.04Å; M49-E51 PolarHBondContact O-N 3.34Å; E51-N71 WeakPolarHBondContact CA-O 3.45Å; E51-N71 HydrophobicContact CG-CB 4.3Å; E51-K73 PolarHBondContact O-N 2.63Å; E51-K73 IonicContact OE1-NZ 2.78Å; E51-K73 IonicContact OE2-NZ 2.77Å; E51-K73 PolarHBondContact OE2-NZ 2.97Å; E51-I74 PolarHBondContact O-N 3.27Å |
| 52 | K | 98.7 | Very high | 98.1 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 112.6 | 180 | 179.5 | 172.2 | 176 | -158.1 | 0 | 111.9 | T26 E27 V28 C50 I74 | T26-K52 PolarHBondContact O-N 3.16Å; E27-K52 WeakPolarHBondContact CA-O 3.45Å; E27-K52 HydrophobicContact CB-CB 4.36Å; E27-K52 HydrophobicContact CG-CB 4.1Å; E27-K52 HydrophobicContact CG-CD 4.02Å; E27-K52 HydrophobicContact CG-CG 4.06Å; E27-K52 VanDerWaalsContact OE1-CD 3.26Å; E27-K52 WeakPolarHBondContact OE1-CD 3.48Å; E27-K52 WeakPolarHBondContact OE1-CE 3.32Å; E27-K52 IonicContact OE1-NZ 3.88Å; E27-K52 PolarHBondContact OE1-NZ 2.91Å; V28-K52 PolarHBondContact N-O 3.23Å; C50-K52 PolarHBondContact SG-O 2.83Å; K52-I74 WeakPolarHBondContact CA-O 3.2Å; K52-I74 HydrophobicContact CB-CB 4.11Å; K52-I74 HydrophobicContact CD-CB 4.36Å; K52-I74 HydrophobicContact CD-CD1 4.2Å; K52-I74 HydrophobicContact CD-CG2 4.24Å; K52-I74 HydrophobicContact CG-CB 3.9Å; K52-I74 HydrophobicContact CG-CG2 3.95Å |
| 53 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.7 | 177.9 | 179.7 | 59.9 | 0 | 0 | 0 | 110.7 | V28 L30 L44 L47 L55 L69 L72 I74 L75 S76 | V28-L53 HydrophobicContact CB-CD1 4.32Å; L30-L53 HydrophobicContact CD1-CD1 4.22Å; L30-L53 HydrophobicContact CG-CD1 4.44Å; L44-L53 HydrophobicContact CD2-CD2 3.92Å; L47-L53 HydrophobicContact CD1-CD1 3.88Å; L53-L55 HydrophobicContact CD1-CG 4.42Å; L53-L55 HydrophobicContact CD2-CD1 3.83Å; L53-L55 HydrophobicContact CD2-CG 4.46Å; L53-L55 HydrophobicContact CG-CD1 4.11Å; L53-L55 HydrophobicContact CG-CG 4.23Å; L53-L69 HydrophobicContact CD2-CD1 3.79Å; L53-L72 HydrophobicContact CB-CD1 3.65Å; L53-I74 PolarHBondContact N-O 3.07Å; L53-L75 HydrophobicContact CB-CD1 4.22Å; L53-L75 HydrophobicContact CD2-CD1 4.15Å; L53-L75 HydrophobicContact CG-CD1 4.27Å; L53-S76 PolarHBondContact O-N 2.83Å |
| 54 | S | 98.7 | Very high | 98.1 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 117.9 | 174.7 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | V28 L30 Y31 | V28-S54 PolarHBondContact O-N 3.32Å; L30-S54 CarbonylContact C-O 3.23Å; L30-S54 VanDerWaalsContact C-O 3.29Å; L30-S54 VanDerWaalsContact CA-O 3.27Å; L30-S54 WeakPolarHBondContact CA-O 3.46Å; L30-S54 WeakPolarHBondContact CB-O 3.47Å; L30-S54 PolarHBondContact N-O 3.17Å; Y31-S54 PolarHBondContact N-O 3.21Å |
| 55 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -125.2 | 13.3 | 177.5 | -77.8 | 165 | 0 | 0 | 0 | 111.9 | I7 L30 I37 M40 L53 N58 I60 S76 L77 N80 | I7-L55 HydrophobicContact CD1-CD2 3.84Å; L30-L55 HydrophobicContact CB-CD2 3.84Å; L30-L55 HydrophobicContact CD1-CD2 4.21Å; I37-L55 HydrophobicContact CD1-CD2 3.92Å; M40-L55 HydrophobicContact CE-CD1 3.77Å; M40-L55 HydrophobicContact CG-CD1 4.49Å; L53-L55 HydrophobicContact CD1-CG 4.42Å; L53-L55 HydrophobicContact CD2-CD1 3.83Å; L53-L55 HydrophobicContact CD2-CG 4.46Å; L53-L55 HydrophobicContact CG-CD1 4.11Å; L53-L55 HydrophobicContact CG-CG 4.23Å; L55-N58 PolarHBondContact O-ND2 2.94Å; L55-I60 HydrophobicContact CB-CD1 3.95Å; L55-I60 HydrophobicContact CD1-CD1 4.35Å; L55-I60 HydrophobicContact CD2-CD1 4.19Å; L55-I60 HydrophobicContact CG-CD1 4.41Å; L55-S76 CarbonylContact C-O 3.58Å; L55-S76 WeakPolarHBondContact CA-O 3.34Å; L55-S76 PolarHBondContact N-O 2.77Å; L55-L77 HydrophobicContact CB-CD2 3.76Å; L55-L77 HydrophobicContact CD1-CD2 4.11Å; L55-N80 PolarHBondContact O-ND2 3.15Å; L55-N80 VanDerWaalsContact O-ND2 3.09Å | ||
| 56 | S | 98.3 | Very high | 98.1 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | trans | -60.3 | 158.4 | -179.9 | -70.3 | 0 | 0 | 0 | 0 | 113.4 | Y31 G32 N58 S76 G78 | Y31-S56 CarbonylContact C-O 3.6Å; Y31-S56 WeakPolarHBondContact CA-O 3.39Å; Y31-S56 WeakPolarHBondContact CB-O 3.37Å; G32-S56 PolarHBondContact N-O 2.84Å; S56-N58 PolarHBondContact O-ND2 3.46Å; S56-S76 PolarHBondContact N-O 3.31Å; S56-S76 PolarHBondContact OG-OG 3.02Å; S56-G78 CarbonylContact C-O 3.42Å; S56-G78 WeakPolarHBondContact CA-O 3.36Å; S56-G78 WeakPolarHBondContact CB-O 3.45Å; S56-G78 PolarHBondContact OG-N 2.94Å; S56-G78 PolarHBondContact OG-O 3.37Å | ||
| 57 | T | 98.5 | Very high | 98.1 | Very high | 76 Ų | 76 | 42.9 Ų | 42.9 | 47% | 0.466 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 57 | 56.2 | 178.2 | -45.5 | 0 | 0 | 0 | 0 | 111.4 | G32 G78 R79 | G32-T57 WeakPolarHBondContact CA-O 3.3Å; G32-T57 PolarHBondContact N-O 3.15Å; G32-T57 VanDerWaalsContact N-O 3.15Å; T57-G78 PolarHBondContact N-O 3.3Å; T57-R79 VanDerWaalsContact CA-O 3.22Å; T57-R79 WeakPolarHBondContact CA-O 3.43Å; T57-R79 PolarHBondContact N-O 3.34Å |
| 58 | N | 98.4 | Very high | 97.9 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -134.9 | -165.8 | 173.9 | -81 | -63.4 | 0 | 0 | 0 | 107.8 | L30 Q33 I37 L55 S56 I60 R79 N80 | L30-N58 PolarHBondContact O-ND2 3.36Å; L30-N58 VanDerWaalsContact O-ND2 3.16Å; Q33-N58 PolarHBondContact N-OD1 2.94Å; I37-N58 HydrophobicContact CB-CB 4.13Å; I37-N58 PolarHBondContact N-OD1 3.28Å; I37-N58 WeakPolarHBondContact O-CB 3.25Å; L55-N58 PolarHBondContact O-ND2 2.94Å; S56-N58 PolarHBondContact O-ND2 3.46Å; N58-I60 HydrophobicContact CB-CD1 4.32Å; N58-I60 HydrophobicContact CB-CG1 4.22Å; N58-R79 PolarHBondContact N-O 3.2Å; N58-R79 VanDerWaalsContact N-O 3.11Å; N58-R79 VanDerWaalsContact O-O 3.06Å; N58-N80 WeakPolarHBondContact CA-OD1 3.27Å; N58-N80 WeakPolarHBondContact CB-OD1 3.36Å; N58-N80 PolarHBondContact O-OD1 2.9Å |
| 59 | C | 98.1 | Very high | 98 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 28% | 0.277 | 21% | 0.214 | S | C | . | . | trans | -119.4 | 31.3 | 178.8 | -65.4 | 0 | 0 | 0 | 0 | 112 | P36 I37 E38 E61 N80 | P36-C59 HydrophobicContact CB-CB 4.31Å; P36-C59 HydrophobicContact CG-CB 4.37Å; I37-C59 CarbonylContact O-C 3.31Å; I37-C59 WeakPolarHBondContact O-CA 3.21Å; I37-C59 PolarHBondContact O-N 2.78Å; E38-C59 HydrophobicContact CG-CB 3.99Å; C59-E61 PolarHBondContact O-N 2.96Å; C59-N80 PolarHBondContact N-OD1 2.75Å | ||
| 60 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -66.5 | 125.3 | -176.1 | -61.3 | 165.6 | 0 | 0 | 0 | 110 | I37 E38 M40 L55 N58 L77 N80 N81 I82 | I37-I60 HydrophobicContact CB-CG1 4.49Å; I37-I60 HydrophobicContact CG2-CD1 4.26Å; I37-I60 HydrophobicContact CG2-CG1 3.99Å; I37-I60 PolarHBondContact O-N 3.29Å; E38-I60 WeakPolarHBondContact O-CA 3.39Å; M40-I60 HydrophobicContact CG-CD1 4.1Å; M40-I60 HydrophobicContact CG-CG2 3.99Å; M40-I60 HydrophobicContact SD-CG2 4.11Å; L55-I60 HydrophobicContact CB-CD1 3.95Å; L55-I60 HydrophobicContact CD1-CD1 4.35Å; L55-I60 HydrophobicContact CD2-CD1 4.19Å; L55-I60 HydrophobicContact CG-CD1 4.41Å; N58-I60 HydrophobicContact CB-CD1 4.32Å; N58-I60 HydrophobicContact CB-CG1 4.22Å; I60-L77 HydrophobicContact CD1-CD2 4.19Å; I60-N80 HydrophobicContact CB-CB 4.29Å; I60-N80 VanDerWaalsContact CB-OD1 3.28Å; I60-N80 WeakPolarHBondContact CB-OD1 3.33Å; I60-N80 WeakPolarHBondContact CG1-OD1 3.37Å; I60-N80 PolarHBondContact N-OD1 3.15Å; I60-N81 CarbonylContact O-C 3.31Å; I60-N81 VanDerWaalsContact O-C 3.31Å; I60-N81 WeakPolarHBondContact O-CA 3.39Å; I60-N81 PolarHBondContact O-N 2.8Å; I60-I82 HydrophobicContact CG2-CG1 4.39Å; I60-I82 WeakPolarHBondContact O-CG1 3.26Å; I60-I82 PolarHBondContact O-N 2.86Å | ||
| 61 | E | 97.8 | Very high | 97.9 | Very high | 123 Ų | 123 | 45.3 Ų | 45.3 | 58% | 0.575 | 24% | 0.236 | S | C | * | . | trans | -96.4 | -25.2 | 179.2 | -63 | -177.3 | 180 | 0 | 0 | 113.6 | C59 N81 | C59-E61 PolarHBondContact O-N 2.96Å; E61-N81 HydrophobicContact CG-CB 4.01Å | ||
| 62 | K | 98 | Very high | 97.9 | Very high | 138 Ų | 138 | 41.8 Ų | 41.8 | 60% | 0.6 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -142.5 | 129.5 | -172.8 | -174.9 | 178 | 178.8 | -177.5 | 0 | 112 | ||
| 63 | I | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -71.9 | 128 | 171.1 | -58.8 | 163.2 | 0 | 0 | 0 | 108.8 | M40 L66 L77 I82 L88 I100 | M40-I63 HydrophobicContact SD-CG2 4.45Å; I63-L66 HydrophobicContact CG2-CD1 3.67Å; I63-L66 HydrophobicContact CG2-CG 4.36Å; I63-L77 HydrophobicContact CD1-CD1 4.03Å; I63-L77 HydrophobicContact CG1-CD1 3.92Å; I63-I82 HydrophobicContact CD1-CD1 4.33Å; I63-I82 HydrophobicContact CD1-CG2 4.1Å; I63-I82 HydrophobicContact CG1-CD1 3.96Å; I63-I82 HydrophobicContact CG1-CG2 4.25Å; I63-L88 HydrophobicContact CD1-CD1 4.23Å; I63-L88 HydrophobicContact CD1-CD2 4.16Å; I63-L88 HydrophobicContact CD1-CG 4.02Å; I63-L88 HydrophobicContact CG2-CD2 3.84Å; I63-L88 HydrophobicContact CG2-CG 4.15Å; I63-I100 HydrophobicContact CD1-CD1 4.16Å | ||
| 64 | S | 98.1 | Very high | 97.9 | Very high | 32 Ų | 32 | 44 Ų | 44 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | trans | -162.6 | 171.2 | 178.3 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | M40 L66 | M40-S64 WeakPolarHBondContact CE-O 3.21Å; M40-S64 PolarHBondContact O-OG 2.81Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.92Å | ||
| 65 | N | 97.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 43.6 Ų | 43.6 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | trans | 62.9 | 28.6 | 171.6 | -61 | -54.1 | 0 | 0 | 0 | 115.6 | M40 D41 N67 | M40-N65 PolarHBondContact O-ND2 3.32Å; D41-N65 WeakPolarHBondContact CA-ND2 3.37Å; D41-N65 WeakPolarHBondContact O-CB 3.38Å; N65-N67 VanDerWaalsContact C-N 3.29Å; N65-N67 PolarHBondContact O-N 3.34Å | ||
| 66 | L | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | trans | -83.8 | 2.9 | 176.9 | -59.8 | 178.1 | 0 | 0 | 0 | 114.1 | M40 L44 I63 S64 G68 L69 L75 L88 P90 V91 | M40-L66 HydrophobicContact CE-CD2 3.57Å; M40-L66 HydrophobicContact CE-CG 4.27Å; L44-L66 HydrophobicContact CD1-CD2 4.42Å; I63-L66 HydrophobicContact CG2-CD1 3.67Å; I63-L66 HydrophobicContact CG2-CG 4.36Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.92Å; L66-G68 VanDerWaalsContact C-N 3.29Å; L66-G68 PolarHBondContact O-N 2.92Å; L66-G68 VanDerWaalsContact O-N 3.16Å; L66-L69 HydrophobicContact CB-CD1 4.41Å; L66-L69 HydrophobicContact CD2-CD1 3.51Å; L66-L69 WeakPolarHBondContact O-CB 3.33Å; L66-L69 PolarHBondContact O-N 2.75Å; L66-L69 VanDerWaalsContact O-N 3.08Å; L66-L75 HydrophobicContact CD1-CD2 4.17Å; L66-L88 HydrophobicContact CD1-CD2 3.82Å; L66-P90 HydrophobicContact CB-CB 4.33Å; L66-P90 HydrophobicContact CB-CG 4.47Å; L66-V91 HydrophobicContact CB-CG1 3.92Å; L66-V91 HydrophobicContact CD1-CG1 4.42Å; L66-V91 HydrophobicContact CD1-CG2 3.85Å | ||
| 67 | N | 96 | Very high | 97.9 | Very high | 98 Ų | 98 | 43.2 Ų | 43.2 | 52% | 0.524 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -32.2 | -168.8 | -64.4 | -61.5 | 0 | 0 | 0 | 115.1 | N65 K70 P90 | N65-N67 VanDerWaalsContact C-N 3.29Å; N65-N67 PolarHBondContact O-N 3.34Å; N67-K70 WeakPolarHBondContact O-CE 3.49Å; N67-K70 PolarHBondContact O-NZ 2.96Å; N67-P90 VanDerWaalsContact OD1-CG 3.24Å; N67-P90 WeakPolarHBondContact OD1-CG 3.35Å |
| 68 | G | 95 | Very high | 97.9 | Very high | 20 Ų | 20 | 40 Ų | 40 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L66 K70 | L66-G68 VanDerWaalsContact C-N 3.29Å; L66-G68 PolarHBondContact O-N 2.92Å; L66-G68 VanDerWaalsContact O-N 3.16Å; G68-K70 VanDerWaalsContact C-N 3.28Å; G68-K70 PolarHBondContact O-N 3.33Å |
| 69 | L | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -89.3 | 57.7 | -171.7 | -62.2 | 174.4 | 0 | 0 | 0 | 111.6 | L47 C50 L53 L66 N71 L72 V91 | L47-L69 HydrophobicContact CB-CD2 3.63Å; L47-L69 HydrophobicContact CD1-CD2 4.43Å; L47-L69 WeakPolarHBondContact O-CD2 3.35Å; C50-L69 HydrophobicContact CB-CD2 4.2Å; L53-L69 HydrophobicContact CD2-CD1 3.79Å; L66-L69 HydrophobicContact CB-CD1 4.41Å; L66-L69 HydrophobicContact CD2-CD1 3.51Å; L66-L69 WeakPolarHBondContact O-CB 3.33Å; L66-L69 PolarHBondContact O-N 2.75Å; L66-L69 VanDerWaalsContact O-N 3.08Å; L69-N71 PolarHBondContact O-N 3.38Å; L69-N71 VanDerWaalsContact O-N 3.16Å; L69-L72 HydrophobicContact CB-CB 3.98Å; L69-L72 HydrophobicContact CB-CD2 4.34Å; L69-L72 HydrophobicContact CD1-CD2 4.05Å; L69-L72 WeakPolarHBondContact O-CB 3.36Å; L69-L72 PolarHBondContact O-N 2.81Å; L69-V91 HydrophobicContact CB-CG1 4.32Å | ||
| 70 | K | 95.8 | Very high | 98 | Very high | 125 Ų | 125 | 44.7 Ų | 44.7 | 54% | 0.543 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.4 | -171.7 | -60.2 | -51.1 | -169.1 | -165.9 | 0 | 114.9 | N67 G68 T94 | N67-K70 WeakPolarHBondContact O-CE 3.49Å; N67-K70 PolarHBondContact O-NZ 2.96Å; G68-K70 VanDerWaalsContact C-N 3.28Å; G68-K70 PolarHBondContact O-N 3.33Å; K70-T94 WeakPolarHBondContact O-CG2 3.39Å |
| 71 | N | 97.5 | Very high | 98 | Very high | 71 Ų | 71 | 48 Ų | 48 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 5.1 | -179 | -61.2 | -54.9 | 0 | 0 | 0 | 112.7 | T48 C50 E51 L69 K73 | T48-N71 PolarHBondContact O-ND2 3.04Å; C50-N71 CarbonylContact O-C 3.57Å; E51-N71 WeakPolarHBondContact CA-O 3.45Å; E51-N71 HydrophobicContact CG-CB 4.3Å; L69-N71 PolarHBondContact O-N 3.38Å; L69-N71 VanDerWaalsContact O-N 3.16Å; N71-K73 PolarHBondContact O-N 3.32Å |
| 72 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -68.7 | 117.5 | -171.3 | -167.7 | 73.6 | 0 | 0 | 0 | 111.4 | C50 L53 L69 L75 V91 T94 L95 | C50-L72 PolarHBondContact O-N 3.01Å; L53-L72 HydrophobicContact CB-CD1 3.65Å; L69-L72 HydrophobicContact CB-CB 3.98Å; L69-L72 HydrophobicContact CB-CD2 4.34Å; L69-L72 HydrophobicContact CD1-CD2 4.05Å; L69-L72 WeakPolarHBondContact O-CB 3.36Å; L69-L72 PolarHBondContact O-N 2.81Å; L72-L75 HydrophobicContact CD2-CB 4.15Å; L72-L75 HydrophobicContact CD2-CD1 4.38Å; L72-L75 HydrophobicContact CD2-CD2 4.44Å; L72-V91 HydrophobicContact CB-CG1 4.24Å; L72-V91 HydrophobicContact CD2-CG1 4.01Å; L72-T94 CarbonylContact O-C 3.16Å; L72-T94 VanDerWaalsContact O-CB 3.32Å; L72-T94 WeakPolarHBondContact O-CB 3.36Å; L72-T94 PolarHBondContact O-OG1 3.48Å; L72-L95 HydrophobicContact CD2-CD1 4.06Å; L72-L95 HydrophobicContact CG-CD1 4.07Å; L72-L95 WeakPolarHBondContact O-CA 3.41Å; L72-L95 PolarHBondContact O-N 3.03Å | ||
| 73 | K | 98.8 | Very high | 98 | Very high | 72 Ų | 72 | 42 Ų | 42 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | trans | -105.8 | -34.1 | 176.5 | -64.1 | 175.6 | -171 | 155 | 0 | 112.1 | E51 N71 E96 Q97 | E51-K73 PolarHBondContact O-N 2.63Å; E51-K73 IonicContact OE1-NZ 2.78Å; E51-K73 IonicContact OE2-NZ 2.77Å; E51-K73 PolarHBondContact OE2-NZ 2.97Å; N71-K73 PolarHBondContact O-N 3.32Å; K73-E96 HydrophobicContact CB-CB 4.46Å; K73-E96 HydrophobicContact CB-CG 4.35Å; K73-E96 HydrophobicContact CG-CG 4.47Å; K73-E96 WeakPolarHBondContact O-CA 3.25Å; K73-E96 PolarHBondContact O-N 2.7Å; K73-Q97 PolarHBondContact O-N 3.19Å | ||
| 74 | I | 98.9 | Very high | 97.9 | Very high | 31 Ų | 31 | 44.5 Ų | 44.5 | 16% | 0.159 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.6 | -176.2 | -55.7 | 178.8 | 0 | 0 | 0 | 109.9 | E51 K52 L53 Q97 W99 | E51-I74 PolarHBondContact O-N 3.27Å; K52-I74 WeakPolarHBondContact CA-O 3.2Å; K52-I74 HydrophobicContact CB-CB 4.11Å; K52-I74 HydrophobicContact CD-CB 4.36Å; K52-I74 HydrophobicContact CD-CD1 4.2Å; K52-I74 HydrophobicContact CD-CG2 4.24Å; K52-I74 HydrophobicContact CG-CB 3.9Å; K52-I74 HydrophobicContact CG-CG2 3.95Å; L53-I74 PolarHBondContact N-O 3.07Å; I74-Q97 WeakPolarHBondContact CA-O 3.46Å; I74-Q97 HydrophobicContact CB-CB 4.46Å; I74-Q97 HydrophobicContact CG1-CB 4.06Å; I74-Q97 HydrophobicContact CG1-CG 4.07Å; I74-Q97 HydrophobicContact CG2-CB 4.27Å; I74-W99 HydrophobicContact CG2-CD2 4.43Å; I74-W99 HydrophobicContact CG2-CH2 4.06Å; I74-W99 HydrophobicContact CG2-CZ2 3.82Å; I74-W99 HydrophobicContact CG2-CZ3 4.46Å |
| 75 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 117.8 | 175.9 | -179.7 | 56.4 | 0 | 0 | 0 | 110.2 | L53 L66 L72 L77 L88 L95 Q97 L98 W99 | L53-L75 HydrophobicContact CB-CD1 4.22Å; L53-L75 HydrophobicContact CD2-CD1 4.15Å; L53-L75 HydrophobicContact CG-CD1 4.27Å; L66-L75 HydrophobicContact CD1-CD2 4.17Å; L72-L75 HydrophobicContact CD2-CB 4.15Å; L72-L75 HydrophobicContact CD2-CD1 4.38Å; L72-L75 HydrophobicContact CD2-CD2 4.44Å; L75-L77 HydrophobicContact CD1-CD1 4.2Å; L75-L77 HydrophobicContact CD1-CG 4.05Å; L75-L77 HydrophobicContact CD2-CD1 3.66Å; L75-L77 HydrophobicContact CD2-CG 4.4Å; L75-L77 HydrophobicContact CG-CD1 3.75Å; L75-L77 HydrophobicContact CG-CG 3.96Å; L75-L88 HydrophobicContact CD2-CD2 3.74Å; L75-L95 HydrophobicContact CB-CD1 3.61Å; L75-L95 HydrophobicContact CB-CD2 4.31Å; L75-Q97 PolarHBondContact N-O 2.88Å; L75-L98 HydrophobicContact CB-CD1 4.22Å; L75-L98 HydrophobicContact CD2-CD1 4.23Å; L75-L98 HydrophobicContact CG-CD1 4.22Å; L75-W99 PolarHBondContact O-N 3.4Å |
| 76 | S | 98.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 8% | 0.077 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 113.4 | 179.4 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | L53 L55 S56 | L53-S76 PolarHBondContact O-N 2.83Å; L55-S76 CarbonylContact C-O 3.58Å; L55-S76 WeakPolarHBondContact CA-O 3.34Å; L55-S76 PolarHBondContact N-O 2.77Å; S56-S76 PolarHBondContact N-O 3.31Å; S56-S76 PolarHBondContact OG-OG 3.02Å |
| 77 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -130.9 | 16.2 | -175.7 | -74.7 | 167.7 | 0 | 0 | 0 | 112.1 | L55 I60 I63 L75 N80 I82 L98 W99 I100 N103 | L55-L77 HydrophobicContact CB-CD2 3.76Å; L55-L77 HydrophobicContact CD1-CD2 4.11Å; I60-L77 HydrophobicContact CD1-CD2 4.19Å; I63-L77 HydrophobicContact CD1-CD1 4.03Å; I63-L77 HydrophobicContact CG1-CD1 3.92Å; L75-L77 HydrophobicContact CD1-CD1 4.2Å; L75-L77 HydrophobicContact CD1-CG 4.05Å; L75-L77 HydrophobicContact CD2-CD1 3.66Å; L75-L77 HydrophobicContact CD2-CG 4.4Å; L75-L77 HydrophobicContact CG-CD1 3.75Å; L75-L77 HydrophobicContact CG-CG 3.96Å; L77-N80 PolarHBondContact O-ND2 3.18Å; L77-I82 HydrophobicContact CB-CD1 3.89Å; L77-I82 HydrophobicContact CD1-CD1 3.96Å; L77-I82 HydrophobicContact CD2-CD1 4.1Å; L77-I82 HydrophobicContact CG-CD1 4.22Å; L77-L98 HydrophobicContact CD1-CD1 4.44Å; L77-W99 CarbonylContact C-O 3.45Å; L77-W99 WeakPolarHBondContact CA-O 3.4Å; L77-W99 PolarHBondContact N-O 3.14Å; L77-I100 HydrophobicContact CB-CD1 4.39Å; L77-I100 HydrophobicContact CB-CG1 4.2Å; L77-I100 HydrophobicContact CD1-CD1 4.38Å; L77-N103 PolarHBondContact O-ND2 3.35Å | ||
| 78 | G | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | trans | -63.7 | 153.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S56 T57 N80 W99 S101 | S56-G78 CarbonylContact C-O 3.42Å; S56-G78 WeakPolarHBondContact CA-O 3.36Å; S56-G78 WeakPolarHBondContact CB-O 3.45Å; S56-G78 PolarHBondContact OG-N 2.94Å; S56-G78 PolarHBondContact OG-O 3.37Å; T57-G78 PolarHBondContact N-O 3.3Å; G78-N80 PolarHBondContact O-ND2 2.91Å; G78-W99 PolarHBondContact N-O 3.36Å; G78-W99 VanDerWaalsContact N-O 3.16Å; G78-S101 CarbonylContact C-O 3.38Å; G78-S101 WeakPolarHBondContact CA-O 3.39Å | ||
| 79 | R | 98.7 | Very high | 98.1 | Very high | 141 Ų | 141 | 41.6 Ų | 41.6 | 53% | 0.532 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 54.8 | 61.4 | -176.4 | -63.3 | -178.3 | 176.2 | -85.9 | -2.8 | 111.8 | T57 N58 S101 Y102 | T57-R79 VanDerWaalsContact CA-O 3.22Å; T57-R79 WeakPolarHBondContact CA-O 3.43Å; T57-R79 PolarHBondContact N-O 3.34Å; N58-R79 PolarHBondContact N-O 3.2Å; N58-R79 VanDerWaalsContact N-O 3.11Å; N58-R79 VanDerWaalsContact O-O 3.06Å; R79-S101 PolarHBondContact N-O 2.88Å; R79-Y102 WeakPolarHBondContact CA-O 3.45Å; R79-Y102 HydrophobicContact CG-CD2 4.18Å; R79-Y102 HydrophobicContact CG-CG 4.08Å; R79-Y102 PolarHBondContact N-O 3.37Å |
| 80 | N | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.032 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -134.2 | -169.4 | 172.1 | -83.5 | -76.8 | 0 | 0 | 0 | 108.9 | L55 N58 C59 I60 L77 G78 I82 Y102 N103 | L55-N80 PolarHBondContact O-ND2 3.15Å; L55-N80 VanDerWaalsContact O-ND2 3.09Å; N58-N80 WeakPolarHBondContact CA-OD1 3.27Å; N58-N80 WeakPolarHBondContact CB-OD1 3.36Å; N58-N80 PolarHBondContact O-OD1 2.9Å; C59-N80 PolarHBondContact N-OD1 2.75Å; I60-N80 HydrophobicContact CB-CB 4.29Å; I60-N80 VanDerWaalsContact CB-OD1 3.28Å; I60-N80 WeakPolarHBondContact CB-OD1 3.33Å; I60-N80 WeakPolarHBondContact CG1-OD1 3.37Å; I60-N80 PolarHBondContact N-OD1 3.15Å; L77-N80 PolarHBondContact O-ND2 3.18Å; G78-N80 PolarHBondContact O-ND2 2.91Å; N80-I82 HydrophobicContact CB-CD1 4.22Å; N80-I82 HydrophobicContact CB-CG1 4.17Å; N80-Y102 PolarHBondContact N-O 2.83Å; N80-N103 WeakPolarHBondContact CA-OD1 3.44Å; N80-N103 WeakPolarHBondContact CB-OD1 3.47Å; N80-N103 PolarHBondContact O-OD1 3Å |
| 81 | N | 98.4 | Very high | 98.2 | Very high | 69 Ų | 69 | 37.5 Ų | 37.5 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | trans | -112.6 | 28.4 | -178.2 | -62.6 | -35.5 | 0 | 0 | 0 | 112.4 | I60 E61 N103 | I60-N81 CarbonylContact O-C 3.31Å; I60-N81 VanDerWaalsContact O-C 3.31Å; I60-N81 WeakPolarHBondContact O-CA 3.39Å; I60-N81 PolarHBondContact O-N 2.8Å; E61-N81 HydrophobicContact CG-CB 4.01Å; N81-N103 PolarHBondContact N-OD1 3.28Å | ||
| 82 | I | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -73.4 | 133.2 | -172.2 | -60.4 | 166.9 | 0 | 0 | 0 | 110.3 | I60 I63 L77 N80 N84 I100 N103 S104 I105 | I60-I82 HydrophobicContact CG2-CG1 4.39Å; I60-I82 WeakPolarHBondContact O-CG1 3.26Å; I60-I82 PolarHBondContact O-N 2.86Å; I63-I82 HydrophobicContact CD1-CD1 4.33Å; I63-I82 HydrophobicContact CD1-CG2 4.1Å; I63-I82 HydrophobicContact CG1-CD1 3.96Å; I63-I82 HydrophobicContact CG1-CG2 4.25Å; L77-I82 HydrophobicContact CB-CD1 3.89Å; L77-I82 HydrophobicContact CD1-CD1 3.96Å; L77-I82 HydrophobicContact CD2-CD1 4.1Å; L77-I82 HydrophobicContact CG-CD1 4.22Å; N80-I82 HydrophobicContact CB-CD1 4.22Å; N80-I82 HydrophobicContact CB-CG1 4.17Å; I82-N84 WeakPolarHBondContact CG2-O 3.15Å; I82-I100 HydrophobicContact CB-CD1 4.47Å; I82-I100 HydrophobicContact CD1-CD1 3.9Å; I82-I100 HydrophobicContact CD1-CG1 4.31Å; I82-I100 HydrophobicContact CG2-CD1 4.18Å; I82-N103 HydrophobicContact CB-CB 4.32Å; I82-N103 VanDerWaalsContact CB-OD1 3.25Å; I82-N103 WeakPolarHBondContact CB-OD1 3.41Å; I82-N103 WeakPolarHBondContact CG1-OD1 3.43Å; I82-N103 PolarHBondContact N-OD1 2.93Å; I82-S104 CarbonylContact O-C 3.41Å; I82-S104 VanDerWaalsContact O-CA 3.32Å; I82-S104 WeakPolarHBondContact O-CA 3.22Å; I82-S104 PolarHBondContact O-N 3.19Å; I82-I105 WeakPolarHBondContact O-CG1 3.37Å; I82-I105 PolarHBondContact O-N 2.99Å | ||
| 83 | K | 97.7 | Very high | 98.1 | Very high | 136 Ų | 136 | 39.8 Ų | 39.8 | 59% | 0.591 | 20% | 0.2 | S | C | * | . | trans | -102.9 | -18.5 | -176.2 | -64.2 | 179.2 | -179.3 | 176.2 | 0 | 115.3 | S104 | K83-S104 WeakPolarHBondContact CA-O 3.43Š| ||
| 84 | N | 96.8 | Very high | 98.1 | Very high | 52 Ų | 52 | 38 Ų | 38 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | trans | -162.1 | 176.1 | 178.3 | 61.6 | 70.6 | 0 | 0 | 0 | 110.3 | I82 T86 K109 | I82-N84 WeakPolarHBondContact CG2-O 3.15Å; N84-T86 WeakPolarHBondContact OD1-CB 3.26Å; N84-T86 WeakPolarHBondContact OD1-CG2 3.04Å; N84-T86 PolarHBondContact OD1-N 2.74Å; N84-T86 VanDerWaalsContact OD1-N 3.07Å; N84-T86 PolarHBondContact OD1-OG1 3.27Å; N84-K109 HydrophobicContact CB-CB 4.45Å | ||
| 85 | L | 98.1 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -101.7 | 14.3 | -171.6 | -59 | 173.7 | 0 | 0 | 0 | 113.1 | L88 L98 I100 I105 M108 K109 I111 | L85-L88 HydrophobicContact CB-CD1 3.98Å; L85-L88 HydrophobicContact CD2-CD1 4.17Å; L85-L98 HydrophobicContact CD2-CD2 4.09Å; L85-I100 HydrophobicContact CD2-CD1 3.71Å; L85-I105 HydrophobicContact CD2-CD1 3.84Å; L85-I105 HydrophobicContact CG-CD1 4.47Å; L85-M108 HydrophobicContact CD1-CB 4.38Å; L85-K109 CarbonylContact C-O 3.5Å; L85-K109 VanDerWaalsContact C-O 3.31Å; L85-K109 WeakPolarHBondContact CA-O 3.31Å; L85-K109 WeakPolarHBondContact CB-O 2.89Å; L85-K109 PolarHBondContact N-O 3.09Å; L85-I111 HydrophobicContact CD1-CB 3.79Å; L85-I111 HydrophobicContact CD1-CD1 3.46Å; L85-I111 VanDerWaalsContact CD1-CD1 3.46Å; L85-I111 HydrophobicContact CD1-CG1 4.14Å | ||
| 86 | T | 97.5 | Very high | 98.1 | Very high | 31 Ų | 31 | 39.5 Ų | 39.5 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 142.7 | 174.4 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | N84 K109 | N84-T86 WeakPolarHBondContact OD1-CB 3.26Å; N84-T86 WeakPolarHBondContact OD1-CG2 3.04Å; N84-T86 PolarHBondContact OD1-N 2.74Å; N84-T86 VanDerWaalsContact OD1-N 3.07Å; N84-T86 PolarHBondContact OD1-OG1 3.27Å; T86-K109 HydrophobicContact CG2-CB 4.49Å; T86-K109 HydrophobicContact CG2-CD 3.91Å; T86-K109 HydrophobicContact CG2-CG 3.85Å; T86-K109 PolarHBondContact N-O 2.96Å |
| 87 | G | 97.6 | Very high | 98.1 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | -4.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E89 P90 | G87-E89 WeakPolarHBondContact CA-OE2 3.35Å; G87-E89 PolarHBondContact N-OE2 3.24Å; G87-P90 WeakPolarHBondContact O-CD 3.34Å |
| 88 | L | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -84.8 | -6.9 | 174.9 | -69.4 | 174.8 | 0 | 0 | 0 | 113.8 | I63 L66 L75 L85 P90 V91 G92 L95 L98 V113 L114 | I63-L88 HydrophobicContact CD1-CD1 4.23Å; I63-L88 HydrophobicContact CD1-CD2 4.16Å; I63-L88 HydrophobicContact CD1-CG 4.02Å; I63-L88 HydrophobicContact CG2-CD2 3.84Å; I63-L88 HydrophobicContact CG2-CG 4.15Å; L66-L88 HydrophobicContact CD1-CD2 3.82Å; L75-L88 HydrophobicContact CD2-CD2 3.74Å; L85-L88 HydrophobicContact CB-CD1 3.98Å; L85-L88 HydrophobicContact CD2-CD1 4.17Å; L88-P90 VanDerWaalsContact C-N 3.29Å; L88-V91 HydrophobicContact CD2-CG2 4.24Å; L88-V91 VanDerWaalsContact O-CG2 3.28Å; L88-V91 WeakPolarHBondContact O-CG2 3.22Å; L88-V91 PolarHBondContact O-N 3.31Å; L88-V91 VanDerWaalsContact O-N 3.07Å; L88-G92 PolarHBondContact O-N 3.1Å; L88-L95 HydrophobicContact CD2-CD2 4.46Å; L88-L98 HydrophobicContact CD1-CD2 3.93Å; L88-V113 HydrophobicContact CB-CG2 4.33Å; L88-L114 HydrophobicContact CB-CD2 3.92Å; L88-L114 HydrophobicContact CD1-CD1 3.92Å; L88-L114 HydrophobicContact CD1-CD2 4.21Å; L88-L114 HydrophobicContact CD1-CG 4.45Å | ||
| 89 | E | 97.7 | Very high | 98.1 | Very high | 99 Ų | 99 | 44.1 Ų | 44.1 | 46% | 0.463 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -49 | -42.8 | -179.8 | -59.3 | 77.7 | -175.8 | 0 | 0 | 113.2 | G87 V91 G92 V113 | G87-E89 WeakPolarHBondContact CA-OE2 3.35Å; G87-E89 PolarHBondContact N-OE2 3.24Å; E89-V91 PolarHBondContact O-N 2.9Å; E89-V91 VanDerWaalsContact O-N 3.13Å; E89-G92 PolarHBondContact O-N 2.99Å; E89-V113 HydrophobicContact CG-CG1 4.21Å |
| 90 | P | 97.7 | Very high | 98.1 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -66.8 | -16.6 | -176.6 | -21.3 | 34.4 | 0 | 0 | 0 | 115.4 | L66 N67 G87 L88 | L66-P90 HydrophobicContact CB-CB 4.33Å; L66-P90 HydrophobicContact CB-CG 4.47Å; N67-P90 VanDerWaalsContact OD1-CG 3.24Å; N67-P90 WeakPolarHBondContact OD1-CG 3.35Å; G87-P90 WeakPolarHBondContact O-CD 3.34Å; L88-P90 VanDerWaalsContact C-N 3.29Å |
| 91 | V | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -116.4 | 9 | -179.9 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | L66 L69 L72 L88 E89 D93 T94 L95 | L66-V91 HydrophobicContact CB-CG1 3.92Å; L66-V91 HydrophobicContact CD1-CG1 4.42Å; L66-V91 HydrophobicContact CD1-CG2 3.85Å; L69-V91 HydrophobicContact CB-CG1 4.32Å; L72-V91 HydrophobicContact CB-CG1 4.24Å; L72-V91 HydrophobicContact CD2-CG1 4.01Å; L88-V91 HydrophobicContact CD2-CG2 4.24Å; L88-V91 VanDerWaalsContact O-CG2 3.28Å; L88-V91 WeakPolarHBondContact O-CG2 3.22Å; L88-V91 PolarHBondContact O-N 3.31Å; L88-V91 VanDerWaalsContact O-N 3.07Å; E89-V91 PolarHBondContact O-N 2.9Å; E89-V91 VanDerWaalsContact O-N 3.13Å; V91-D93 PolarHBondContact O-N 2.95Å; V91-T94 PolarHBondContact O-N 2.72Å; V91-T94 VanDerWaalsContact O-N 3.09Å; V91-T94 PolarHBondContact O-OG1 2.7Å; V91-L95 HydrophobicContact CB-CB 4.38Å; V91-L95 HydrophobicContact CG2-CB 4.26Å; V91-L95 HydrophobicContact CG2-CD2 4.32Å; V91-L95 VanDerWaalsContact O-CB 3.29Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 PolarHBondContact O-N 3.35Å |
| 92 | G | 97.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L88 E89 V113 L114 K115 | L88-G92 PolarHBondContact O-N 3.1Å; E89-G92 PolarHBondContact O-N 2.99Å; G92-V113 CarbonylContact C-O 3.44Å; G92-V113 WeakPolarHBondContact CA-O 3.41Å; G92-L114 CarbonylContact O-C 3.58Å; G92-K115 PolarHBondContact O-N 2.81Å |
| 93 | D | 96.9 | Very high | 98.1 | Very high | 117 Ų | 117 | 39.9 Ų | 39.9 | 63% | 0.626 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3.8 | -178.9 | -63.1 | -38.4 | 0 | 0 | 0 | 114.1 | V91 K116 | V91-D93 PolarHBondContact O-N 2.95Å; D93-K116 WeakPolarHBondContact O-CD 3.07Å; D93-K116 WeakPolarHBondContact O-CE 3.4Å; D93-K116 PolarHBondContact O-NZ 2.96Å |
| 94 | T | 98.3 | Very high | 98.2 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -29.2 | -174.5 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | K70 L72 V91 E96 | K70-T94 WeakPolarHBondContact O-CG2 3.39Å; L72-T94 CarbonylContact O-C 3.16Å; L72-T94 VanDerWaalsContact O-CB 3.32Å; L72-T94 WeakPolarHBondContact O-CB 3.36Å; L72-T94 PolarHBondContact O-OG1 3.48Å; V91-T94 PolarHBondContact O-N 2.72Å; V91-T94 VanDerWaalsContact O-N 3.09Å; V91-T94 PolarHBondContact O-OG1 2.7Å; T94-E96 PolarHBondContact O-N 2.72Å |
| 95 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -72 | 121.6 | -173.1 | -164.2 | 73 | 0 | 0 | 0 | 111.4 | L72 L75 L88 V91 L98 L114 K116 L117 | L72-L95 HydrophobicContact CD2-CD1 4.06Å; L72-L95 HydrophobicContact CG-CD1 4.07Å; L72-L95 WeakPolarHBondContact O-CA 3.41Å; L72-L95 PolarHBondContact O-N 3.03Å; L75-L95 HydrophobicContact CB-CD1 3.61Å; L75-L95 HydrophobicContact CB-CD2 4.31Å; L88-L95 HydrophobicContact CD2-CD2 4.46Å; V91-L95 HydrophobicContact CB-CB 4.38Å; V91-L95 HydrophobicContact CG2-CB 4.26Å; V91-L95 HydrophobicContact CG2-CD2 4.32Å; V91-L95 VanDerWaalsContact O-CB 3.29Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 PolarHBondContact O-N 3.35Å; L95-L98 HydrophobicContact CD2-CB 4.21Å; L95-L98 HydrophobicContact CD2-CD1 4.43Å; L95-L114 HydrophobicContact CB-CD2 4.32Å; L95-L114 HydrophobicContact CD2-CD2 3.88Å; L95-K116 CarbonylContact O-C 3.41Å; L95-K116 VanDerWaalsContact O-C 3.23Å; L95-L117 HydrophobicContact CD2-CD1 4.41Å; L95-L117 HydrophobicContact CG-CD1 4.46Å; L95-L117 PolarHBondContact O-N 2.72Å | ||
| 96 | E | 98.8 | Very high | 98.2 | Very high | 62 Ų | 62 | 37.9 Ų | 37.9 | 29% | 0.29 | 19% | 0.194 | S | C | . | . | trans | -105 | -30.7 | -178.3 | -63.1 | 178.1 | -166.5 | 0 | 0 | 112.3 | K73 T94 K116 K118 V119 | K73-E96 HydrophobicContact CB-CB 4.46Å; K73-E96 HydrophobicContact CB-CG 4.35Å; K73-E96 HydrophobicContact CG-CG 4.47Å; K73-E96 WeakPolarHBondContact O-CA 3.25Å; K73-E96 PolarHBondContact O-N 2.7Å; T94-E96 PolarHBondContact O-N 2.72Å; E96-K116 WeakPolarHBondContact CA-O 3.43Å; E96-K118 PolarHBondContact O-N 2.94Å; E96-V119 PolarHBondContact O-N 2.68Å; E96-V119 VanDerWaalsContact O-N 3.1Å | ||
| 97 | Q | 98.8 | Very high | 98.2 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.6 | 179.7 | -46.8 | -170.5 | 20.6 | 0 | 0 | 111.6 | K73 I74 L75 V119 | K73-Q97 PolarHBondContact O-N 3.19Å; I74-Q97 WeakPolarHBondContact CA-O 3.46Å; I74-Q97 HydrophobicContact CB-CB 4.46Å; I74-Q97 HydrophobicContact CG1-CB 4.06Å; I74-Q97 HydrophobicContact CG1-CG 4.07Å; I74-Q97 HydrophobicContact CG2-CB 4.27Å; L75-Q97 PolarHBondContact N-O 2.88Å; Q97-V119 WeakPolarHBondContact CA-O 3.48Å; Q97-V119 HydrophobicContact CB-CB 4.04Å; Q97-V119 HydrophobicContact CG-CB 3.85Å; Q97-V119 HydrophobicContact CG-CG2 3.91Å |
| 98 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.5 | 174.6 | 178.1 | 61 | 0 | 0 | 0 | 109.4 | L75 L77 L85 L88 L95 I100 L114 L117 V119 L120 Y121 | L75-L98 HydrophobicContact CB-CD1 4.22Å; L75-L98 HydrophobicContact CD2-CD1 4.23Å; L75-L98 HydrophobicContact CG-CD1 4.22Å; L77-L98 HydrophobicContact CD1-CD1 4.44Å; L85-L98 HydrophobicContact CD2-CD2 4.09Å; L88-L98 HydrophobicContact CD1-CD2 3.93Å; L95-L98 HydrophobicContact CD2-CB 4.21Å; L95-L98 HydrophobicContact CD2-CD1 4.43Å; L98-I100 HydrophobicContact CD1-CB 4.4Å; L98-I100 HydrophobicContact CD2-CG2 4.4Å; L98-I100 HydrophobicContact CG-CB 4.28Å; L98-I100 HydrophobicContact CG-CG2 4.27Å; L98-L114 HydrophobicContact CD2-CD1 4.13Å; L98-L117 HydrophobicContact CB-CD1 3.73Å; L98-V119 PolarHBondContact N-O 3.01Å; L98-L120 HydrophobicContact CB-CD1 4.11Å; L98-L120 HydrophobicContact CD2-CD1 3.99Å; L98-L120 HydrophobicContact CG-CD1 4.14Å; L98-Y121 PolarHBondContact O-N 2.95Å |
| 99 | W | 98.8 | Very high | 98.1 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 25% | 0.254 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 104.6 | 175.9 | -47.2 | -22.1 | 0 | 0 | 0 | 109 | I74 L75 L77 G78 Y121 | I74-W99 HydrophobicContact CG2-CD2 4.43Å; I74-W99 HydrophobicContact CG2-CH2 4.06Å; I74-W99 HydrophobicContact CG2-CZ2 3.82Å; I74-W99 HydrophobicContact CG2-CZ3 4.46Å; L75-W99 PolarHBondContact O-N 3.4Å; L77-W99 CarbonylContact C-O 3.45Å; L77-W99 WeakPolarHBondContact CA-O 3.4Å; L77-W99 PolarHBondContact N-O 3.14Å; G78-W99 PolarHBondContact N-O 3.36Å; G78-W99 VanDerWaalsContact N-O 3.16Å; W99-Y121 AromaticContact CD1-CD2 3.36Å; W99-Y121 AromaticContact CD1-CE2 3.97Å; W99-Y121 HydrophobicContact CD2-CD2 4.46Å; W99-Y121 AromaticContact CG-CD2 3.89Å; W99-Y121 HydrophobicContact CG-CD2 3.89Å; W99-Y121 AromaticContact NE1-CD2 3.7Å; W99-Y121 AromaticContact NE1-CE2 3.81Å |
| 100 | I | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -133.6 | 22.8 | -171.8 | -159.4 | 158.5 | 0 | 0 | 0 | 112.6 | I63 L77 I82 L85 L98 N103 I105 L120 Y121 M122 N125 | I63-I100 HydrophobicContact CD1-CD1 4.16Å; L77-I100 HydrophobicContact CB-CD1 4.39Å; L77-I100 HydrophobicContact CB-CG1 4.2Å; L77-I100 HydrophobicContact CD1-CD1 4.38Å; I82-I100 HydrophobicContact CB-CD1 4.47Å; I82-I100 HydrophobicContact CD1-CD1 3.9Å; I82-I100 HydrophobicContact CD1-CG1 4.31Å; I82-I100 HydrophobicContact CG2-CD1 4.18Å; L85-I100 HydrophobicContact CD2-CD1 3.71Å; L98-I100 HydrophobicContact CD1-CB 4.4Å; L98-I100 HydrophobicContact CD2-CG2 4.4Å; L98-I100 HydrophobicContact CG-CB 4.28Å; L98-I100 HydrophobicContact CG-CG2 4.27Å; I100-N103 HydrophobicContact CG1-CB 4.36Å; I100-N103 WeakPolarHBondContact CG1-ND2 3.28Å; I100-N103 PolarHBondContact O-ND2 3.06Å; I100-I105 HydrophobicContact CD1-CD1 3.69Å; I100-I105 HydrophobicContact CG1-CD1 3.82Å; I100-I105 HydrophobicContact CG2-CD1 3.98Å; I100-L120 HydrophobicContact CG2-CD1 4.37Å; I100-Y121 CarbonylContact C-O 3.29Å; I100-Y121 PolarHBondContact N-O 3.31Å; I100-M122 HydrophobicContact CG2-CB 3.83Å; I100-N125 PolarHBondContact O-ND2 2.76Å; I100-N125 VanDerWaalsContact O-ND2 3.11Å | ||
| 101 | S | 98.8 | Very high | 98 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 12% | 0.119 | 21% | 0.206 | C | C | . | . | trans | -57.8 | 152.6 | 174.4 | -61.7 | 0 | 0 | 0 | 0 | 113 | G78 R79 N103 Y121 S123 | G78-S101 CarbonylContact C-O 3.38Å; G78-S101 WeakPolarHBondContact CA-O 3.39Å; R79-S101 PolarHBondContact N-O 2.88Å; S101-N103 PolarHBondContact O-ND2 3.05Å; S101-Y121 PolarHBondContact N-O 3.04Å; S101-S123 CarbonylContact C-O 3.42Å; S101-S123 WeakPolarHBondContact CA-O 3.45Å; S101-S123 VanDerWaalsContact CB-O 3.27Å; S101-S123 WeakPolarHBondContact CB-O 3.45Å; S101-S123 VanDerWaalsContact CB-OG 3.27Å; S101-S123 WeakPolarHBondContact CB-OG 3.48Å; S101-S123 PolarHBondContact OG-N 3.02Å; S101-S123 PolarHBondContact OG-OG 3.31Å | ||
| 102 | Y | 98.8 | Very high | 97.9 | Very high | 103 Ų | 103 | 45.4 Ų | 45.4 | 40% | 0.404 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 57.5 | 58.7 | -178.2 | -57.3 | -84.2 | 0 | 0 | 0 | 111.9 | R79 N80 S123 N124 | R79-Y102 WeakPolarHBondContact CA-O 3.45Å; R79-Y102 HydrophobicContact CG-CD2 4.18Å; R79-Y102 HydrophobicContact CG-CG 4.08Å; R79-Y102 PolarHBondContact N-O 3.37Å; N80-Y102 PolarHBondContact N-O 2.83Å; Y102-S123 PolarHBondContact N-O 2.88Å; Y102-N124 WeakPolarHBondContact CA-O 3.21Å; Y102-N124 HydrophobicContact CD1-CB 3.46Å; Y102-N124 VanDerWaalsContact CD1-CB 3.46Å; Y102-N124 HydrophobicContact CD2-CB 4.49Å; Y102-N124 HydrophobicContact CE1-CB 3.55Å; Y102-N124 HydrophobicContact CG-CB 3.96Å; Y102-N124 VanDerWaalsContact CZ-ND2 3.27Å; Y102-N124 PolarHBondContact N-O 2.84Å; Y102-N124 PolarHBondContact OH-ND2 2.95Å |
| 103 | N | 98.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -129 | -170.1 | 172 | -86.4 | -83.6 | 0 | 0 | 0 | 108.9 | L77 N80 N81 I82 I100 S101 I105 N124 N125 F126 | L77-N103 PolarHBondContact O-ND2 3.35Å; N80-N103 WeakPolarHBondContact CA-OD1 3.44Å; N80-N103 WeakPolarHBondContact CB-OD1 3.47Å; N80-N103 PolarHBondContact O-OD1 3Å; N81-N103 PolarHBondContact N-OD1 3.28Å; I82-N103 HydrophobicContact CB-CB 4.32Å; I82-N103 VanDerWaalsContact CB-OD1 3.25Å; I82-N103 WeakPolarHBondContact CB-OD1 3.41Å; I82-N103 WeakPolarHBondContact CG1-OD1 3.43Å; I82-N103 PolarHBondContact N-OD1 2.93Å; I100-N103 HydrophobicContact CG1-CB 4.36Å; I100-N103 WeakPolarHBondContact CG1-ND2 3.28Å; I100-N103 PolarHBondContact O-ND2 3.06Å; S101-N103 PolarHBondContact O-ND2 3.05Å; N103-I105 HydrophobicContact CB-CD1 4.42Å; N103-I105 HydrophobicContact CB-CG1 4.28Å; N103-N124 PolarHBondContact N-O 3.14Å; N103-N125 WeakPolarHBondContact CA-OD1 3.07Å; N103-N125 WeakPolarHBondContact CB-OD1 3.07Å; N103-N125 PolarHBondContact N-OD1 3.09Å; N103-N125 PolarHBondContact O-OD1 3.46Å; N103-F126 WeakPolarHBondContact O-CE2 3.45Å |
| 104 | S | 98.4 | Very high | 98 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 28% | 0.28 | 20% | 0.203 | S | C | . | . | trans | -110.1 | 34.2 | -178.9 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | I82 K83 E106 | I82-S104 CarbonylContact O-C 3.41Å; I82-S104 VanDerWaalsContact O-CA 3.32Å; I82-S104 WeakPolarHBondContact O-CA 3.22Å; I82-S104 PolarHBondContact O-N 3.19Å; K83-S104 WeakPolarHBondContact CA-O 3.43Å; S104-E106 PolarHBondContact O-N 3.29Å | ||
| 105 | I | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -78.2 | 110.2 | -174.3 | -58.8 | 168.9 | 0 | 0 | 0 | 110.2 | I82 L85 I100 N103 N125 F126 V127 | I82-I105 WeakPolarHBondContact O-CG1 3.37Å; I82-I105 PolarHBondContact O-N 2.99Å; L85-I105 HydrophobicContact CD2-CD1 3.84Å; L85-I105 HydrophobicContact CG-CD1 4.47Å; I100-I105 HydrophobicContact CD1-CD1 3.69Å; I100-I105 HydrophobicContact CG1-CD1 3.82Å; I100-I105 HydrophobicContact CG2-CD1 3.98Å; N103-I105 HydrophobicContact CB-CD1 4.42Å; N103-I105 HydrophobicContact CB-CG1 4.28Å; I105-N125 HydrophobicContact CB-CB 4.17Å; I105-N125 VanDerWaalsContact CB-OD1 3.28Å; I105-N125 WeakPolarHBondContact CB-OD1 3.19Å; I105-N125 WeakPolarHBondContact CG1-OD1 3.26Å; I105-N125 PolarHBondContact N-OD1 3.25Å; I105-F126 CarbonylContact O-C 3.31Å; I105-F126 VanDerWaalsContact O-C 3.31Å; I105-F126 WeakPolarHBondContact O-CA 3.37Å; I105-F126 PolarHBondContact O-N 2.93Å; I105-V127 HydrophobicContact CG2-CG2 4.42Å; I105-V127 PolarHBondContact O-N 2.96Å | ||
| 106 | E | 97.7 | Very high | 97.8 | Very high | 107 Ų | 107 | 50.1 Ų | 50.1 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -94.3 | -34.8 | 171.1 | -69 | 176.1 | -146.6 | 0 | 0 | 112.2 | S104 F126 | S104-E106 PolarHBondContact O-N 3.29Å; E106-F126 HydrophobicContact CG-CB 3.61Å |
| 107 | K | 97.5 | Very high | 97.8 | Very high | 129 Ų | 129 | 47.2 Ų | 47.2 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -125.8 | 131.8 | -176.7 | -63 | -175.1 | -179.9 | -177.6 | 0 | 110.2 | K109 E132 | K107-K109 PolarHBondContact O-N 3.4Å; K107-E132 WeakPolarHBondContact CA-OE2 3.46Å; K107-E132 HydrophobicContact CG-CG 4.5Å |
| 108 | M | 96.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -82.7 | 36.2 | -180 | -68.6 | -172.2 | -80.4 | 0 | 0 | 112.5 | L85 G110 I111 M122 V127 E132 F133 L136 | L85-M108 HydrophobicContact CD1-CB 4.38Å; M108-G110 PolarHBondContact O-N 3.44Å; M108-I111 HydrophobicContact CB-CB 4.24Å; M108-I111 HydrophobicContact CB-CG2 4.03Å; M108-I111 WeakPolarHBondContact O-CB 3.28Å; M108-I111 WeakPolarHBondContact O-CG2 3.4Å; M108-I111 PolarHBondContact O-N 3.37Å; M108-I111 VanDerWaalsContact O-N 3.14Å; M108-M122 HydrophobicContact CG-CE 4.17Å; M108-M122 HydrophobicContact SD-CE 3.79Å; M108-M122 HydrophobicContact SD-SD 3.95Å; M108-V127 HydrophobicContact CE-CG1 4.33Å; M108-V127 HydrophobicContact CG-CG2 4.3Å; M108-E132 HydrophobicContact CE-CB 4.14Å; M108-E132 WeakPolarHBondContact CE-O 3.46Å; M108-E132 PolarHBondContact N-OE2 2.97Å; M108-F133 VanDerWaalsContact CE-CA 3.43Å; M108-L136 HydrophobicContact CE-CD1 4.28Å; M108-L136 HydrophobicContact CE-CD2 4.46Å; M108-L136 HydrophobicContact CE-CG 4.02Å; M108-L136 HydrophobicContact SD-CD1 4.24Å; M108-L136 HydrophobicContact SD-CD2 3.75Å; M108-L136 HydrophobicContact SD-CG 3.95Å | ||
| 109 | K | 96.3 | Very high | 97.8 | Very high | 140 Ų | 140 | 49.9 Ų | 49.9 | 61% | 0.609 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 121.5 | 175.8 | -176.2 | -176.7 | 179.6 | -180 | 0 | 109.4 | N84 L85 T86 K107 | N84-K109 HydrophobicContact CB-CB 4.45Å; L85-K109 CarbonylContact C-O 3.5Å; L85-K109 VanDerWaalsContact C-O 3.31Å; L85-K109 WeakPolarHBondContact CA-O 3.31Å; L85-K109 WeakPolarHBondContact CB-O 2.89Å; L85-K109 PolarHBondContact N-O 3.09Å; T86-K109 HydrophobicContact CG2-CB 4.49Å; T86-K109 HydrophobicContact CG2-CD 3.91Å; T86-K109 HydrophobicContact CG2-CG 3.85Å; T86-K109 PolarHBondContact N-O 2.96Å; K107-K109 PolarHBondContact O-N 3.4Å |
| 110 | G | 96.1 | Very high | 97.8 | Very high | 17 Ų | 17 | 46.7 Ų | 46.7 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.9 | -9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | M108 N112 V113 | M108-G110 PolarHBondContact O-N 3.44Å; G110-N112 VanDerWaalsContact C-N 3.33Å; G110-N112 PolarHBondContact O-N 3.39Å; G110-V113 VanDerWaalsContact O-CG2 3.25Å; G110-V113 WeakPolarHBondContact O-CG2 3.18Å |
| 111 | I | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -62.2 | -38.5 | -177.7 | -166.9 | 71.2 | 0 | 0 | 0 | 112.9 | L85 M108 V113 L114 L117 L120 K135 L136 L139 | L85-I111 HydrophobicContact CD1-CB 3.79Å; L85-I111 HydrophobicContact CD1-CD1 3.46Å; L85-I111 VanDerWaalsContact CD1-CD1 3.46Å; L85-I111 HydrophobicContact CD1-CG1 4.14Å; M108-I111 HydrophobicContact CB-CB 4.24Å; M108-I111 HydrophobicContact CB-CG2 4.03Å; M108-I111 WeakPolarHBondContact O-CB 3.28Å; M108-I111 WeakPolarHBondContact O-CG2 3.4Å; M108-I111 PolarHBondContact O-N 3.37Å; M108-I111 VanDerWaalsContact O-N 3.14Å; I111-V113 PolarHBondContact O-N 3.16Å; I111-L114 HydrophobicContact CD1-CD1 3.87Å; I111-L114 PolarHBondContact O-N 2.64Å; I111-L114 VanDerWaalsContact O-N 3.08Å; I111-L117 HydrophobicContact CD1-CD2 4.2Å; I111-L120 HydrophobicContact CD1-CD2 4.04Å; I111-K135 HydrophobicContact CG2-CB 3.99Å; I111-L136 HydrophobicContact CD1-CD2 4.35Å; I111-L136 HydrophobicContact CG1-CD2 3.96Å; I111-L139 HydrophobicContact CD1-CD1 4.27Å; I111-L139 HydrophobicContact CG1-CD1 3.91Å; I111-L139 HydrophobicContact CG1-CD2 4.31Å; I111-L139 HydrophobicContact CG1-CG 4.42Å; I111-L139 WeakPolarHBondContact O-CD2 3.39Å |
| 112 | N | 96.1 | Very high | 97.8 | Very high | 59 Ų | 59 | 49 Ų | 49 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -62.3 | -12.3 | -172 | -62.4 | 17.8 | 0 | 0 | 0 | 114.7 | G110 L114 K115 D138 | G110-N112 VanDerWaalsContact C-N 3.33Å; G110-N112 PolarHBondContact O-N 3.39Å; N112-L114 VanDerWaalsContact C-N 3.33Å; N112-K115 VanDerWaalsContact O-CE 3.27Å; N112-K115 WeakPolarHBondContact O-CE 3.29Å; N112-K115 PolarHBondContact O-NZ 2.73Å; N112-D138 PolarHBondContact ND2-OD2 3.26Å |
| 113 | V | 96.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -80 | -17.8 | 179.3 | -47.9 | 0 | 0 | 0 | 0 | 112.4 | L88 E89 G92 G110 I111 K115 | L88-V113 HydrophobicContact CB-CG2 4.33Å; E89-V113 HydrophobicContact CG-CG1 4.21Å; G92-V113 CarbonylContact C-O 3.44Å; G92-V113 WeakPolarHBondContact CA-O 3.41Å; G110-V113 VanDerWaalsContact O-CG2 3.25Å; G110-V113 WeakPolarHBondContact O-CG2 3.18Å; I111-V113 PolarHBondContact O-N 3.16Å; V113-K115 PolarHBondContact O-N 2.91Å |
| 114 | L | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -85 | 71.5 | -172.9 | -57.3 | 174.7 | 0 | 0 | 0 | 111.9 | L88 G92 L95 L98 I111 N112 K116 L117 L139 | L88-L114 HydrophobicContact CB-CD2 3.92Å; L88-L114 HydrophobicContact CD1-CD1 3.92Å; L88-L114 HydrophobicContact CD1-CD2 4.21Å; L88-L114 HydrophobicContact CD1-CG 4.45Å; G92-L114 CarbonylContact O-C 3.58Å; L95-L114 HydrophobicContact CB-CD2 4.32Å; L95-L114 HydrophobicContact CD2-CD2 3.88Å; L98-L114 HydrophobicContact CD2-CD1 4.13Å; I111-L114 HydrophobicContact CD1-CD1 3.87Å; I111-L114 PolarHBondContact O-N 2.64Å; I111-L114 VanDerWaalsContact O-N 3.08Å; N112-L114 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 2.92Å; L114-K116 VanDerWaalsContact O-N 3.17Å; L114-L117 HydrophobicContact CB-CB 3.84Å; L114-L117 HydrophobicContact CB-CD2 4.38Å; L114-L117 HydrophobicContact CD1-CD1 4.31Å; L114-L117 HydrophobicContact CD1-CD2 3.8Å; L114-L117 HydrophobicContact CD1-CG 4.48Å; L114-L117 WeakPolarHBondContact O-CB 3.4Å; L114-L117 PolarHBondContact O-N 3.24Å; L114-L139 HydrophobicContact CB-CD2 4.35Å; L114-L139 WeakPolarHBondContact O-CD2 3.15Å | ||
| 115 | K | 96.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.6 | -171 | -59.8 | -49.8 | -170.7 | -171.8 | 0 | 114.8 | G92 N112 V113 P140 | G92-K115 PolarHBondContact O-N 2.81Å; N112-K115 VanDerWaalsContact O-CE 3.27Å; N112-K115 WeakPolarHBondContact O-CE 3.29Å; N112-K115 PolarHBondContact O-NZ 2.73Å; V113-K115 PolarHBondContact O-N 2.91Å; K115-P140 WeakPolarHBondContact O-CG 3.46Å |
| 116 | K | 98.1 | Very high | 97.8 | Very high | 109 Ų | 109 | 50.3 Ų | 50.3 | 47% | 0.474 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 6.8 | 178.4 | -66 | -164.7 | -175.2 | 154.3 | 0 | 114.3 | D93 L95 E96 L114 K118 | D93-K116 WeakPolarHBondContact O-CD 3.07Å; D93-K116 WeakPolarHBondContact O-CE 3.4Å; D93-K116 PolarHBondContact O-NZ 2.96Å; L95-K116 CarbonylContact O-C 3.41Å; L95-K116 VanDerWaalsContact O-C 3.23Å; E96-K116 WeakPolarHBondContact CA-O 3.43Å; L114-K116 PolarHBondContact O-N 2.92Å; L114-K116 VanDerWaalsContact O-N 3.17Å; K116-K118 PolarHBondContact O-N 3.16Å; K116-K118 VanDerWaalsContact O-N 3.15Å |
| 117 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -68.5 | 114.3 | -175.9 | -164.5 | 74.3 | 0 | 0 | 0 | 111.2 | L95 L98 I111 L114 L120 L139 V141 L142 | L95-L117 HydrophobicContact CD2-CD1 4.41Å; L95-L117 HydrophobicContact CG-CD1 4.46Å; L95-L117 PolarHBondContact O-N 2.72Å; L98-L117 HydrophobicContact CB-CD1 3.73Å; I111-L117 HydrophobicContact CD1-CD2 4.2Å; L114-L117 HydrophobicContact CB-CB 3.84Å; L114-L117 HydrophobicContact CB-CD2 4.38Å; L114-L117 HydrophobicContact CD1-CD1 4.31Å; L114-L117 HydrophobicContact CD1-CD2 3.8Å; L114-L117 HydrophobicContact CD1-CG 4.48Å; L114-L117 WeakPolarHBondContact O-CB 3.4Å; L114-L117 PolarHBondContact O-N 3.24Å; L117-L120 HydrophobicContact CD2-CB 4.06Å; L117-L120 HydrophobicContact CD2-CD1 4.34Å; L117-L120 HydrophobicContact CD2-CD2 4.44Å; L117-L139 HydrophobicContact CD2-CD1 4.05Å; L117-V141 CarbonylContact O-C 3.52Å; L117-L142 WeakPolarHBondContact O-CA 3.16Å; L117-L142 PolarHBondContact O-N 3.5Å | ||
| 118 | K | 98.6 | Very high | 97.9 | Very high | 90 Ų | 90 | 44.8 Ų | 44.8 | 39% | 0.391 | 21% | 0.21 | S | C | . | . | trans | -99.2 | -35.6 | 176.9 | -64.6 | -179.8 | 179.5 | 179.3 | 0 | 112.6 | E96 K116 V141 E143 D144 | E96-K118 PolarHBondContact O-N 2.94Å; K116-K118 PolarHBondContact O-N 3.16Å; K116-K118 VanDerWaalsContact O-N 3.15Å; K118-V141 WeakPolarHBondContact CA-O 3.28Å; K118-V141 HydrophobicContact CG-CB 4.47Å; K118-V141 HydrophobicContact CG-CG2 4.1Å; K118-E143 PolarHBondContact O-N 2.9Å; K118-D144 PolarHBondContact O-N 3.4Å | ||
| 119 | V | 98.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.2 | -175.4 | -174 | 0 | 0 | 0 | 0 | 109.9 | E96 Q97 L98 Y121 D144 | E96-V119 PolarHBondContact O-N 2.68Å; E96-V119 VanDerWaalsContact O-N 3.1Å; Q97-V119 WeakPolarHBondContact CA-O 3.48Å; Q97-V119 HydrophobicContact CB-CB 4.04Å; Q97-V119 HydrophobicContact CG-CB 3.85Å; Q97-V119 HydrophobicContact CG-CG2 3.91Å; L98-V119 PolarHBondContact N-O 3.01Å; V119-Y121 HydrophobicContact CG1-CD1 3.83Å; V119-Y121 HydrophobicContact CG1-CD2 4.35Å; V119-Y121 HydrophobicContact CG1-CE1 3.37Å; V119-Y121 HydrophobicContact CG1-CE2 3.93Å; V119-Y121 HydrophobicContact CG1-CG 4.31Å; V119-Y121 VanDerWaalsContact CG1-CZ 3.43Å; V119-D144 CarbonylContact C-O 3.18Å; V119-D144 WeakPolarHBondContact CA-O 3.47Å; V119-D144 HydrophobicContact CB-CB 4.35Å; V119-D144 HydrophobicContact CG1-CB 4.13Å; V119-D144 HydrophobicContact CG2-CB 4.08Å |
| 120 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 109.4 | 174.3 | 179.2 | 56.1 | 0 | 0 | 0 | 110 | L98 I100 I111 L117 M122 L136 L142 D144 L145 L146 | L98-L120 HydrophobicContact CB-CD1 4.11Å; L98-L120 HydrophobicContact CD2-CD1 3.99Å; L98-L120 HydrophobicContact CG-CD1 4.14Å; I100-L120 HydrophobicContact CG2-CD1 4.37Å; I111-L120 HydrophobicContact CD1-CD2 4.04Å; L117-L120 HydrophobicContact CD2-CB 4.06Å; L117-L120 HydrophobicContact CD2-CD1 4.34Å; L117-L120 HydrophobicContact CD2-CD2 4.44Å; L120-M122 HydrophobicContact CD1-CB 4.25Å; L120-M122 HydrophobicContact CD1-SD 4.46Å; L120-M122 HydrophobicContact CD2-CG 4.35Å; L120-M122 HydrophobicContact CD2-SD 3.59Å; L120-M122 VanDerWaalsContact CD2-SD 3.59Å; L120-M122 HydrophobicContact CG-CB 4.32Å; L120-M122 HydrophobicContact CG-CG 4.07Å; L120-M122 HydrophobicContact CG-SD 3.96Å; L120-L136 HydrophobicContact CD2-CD2 3.57Å; L120-L142 HydrophobicContact CB-CD1 3.86Å; L120-D144 PolarHBondContact N-O 3.46Å; L120-L145 HydrophobicContact CB-CD1 4.07Å; L120-L145 HydrophobicContact CD2-CD1 4.04Å; L120-L145 HydrophobicContact CG-CD1 4.01Å; L120-L145 WeakPolarHBondContact O-CA 3.14Å; L120-L146 PolarHBondContact O-N 3.15Å |
| 121 | Y | 98.8 | Very high | 98 | Very high | 65 Ų | 65 | 48 Ų | 48 | 26% | 0.255 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 110 | 170.3 | -59.3 | -25.1 | 0 | 0 | 0 | 109.2 | L98 W99 I100 S101 V119 D144 L146 | L98-Y121 PolarHBondContact O-N 2.95Å; W99-Y121 AromaticContact CD1-CD2 3.36Å; W99-Y121 AromaticContact CD1-CE2 3.97Å; W99-Y121 HydrophobicContact CD2-CD2 4.46Å; W99-Y121 AromaticContact CG-CD2 3.89Å; W99-Y121 HydrophobicContact CG-CD2 3.89Å; W99-Y121 AromaticContact NE1-CD2 3.7Å; W99-Y121 AromaticContact NE1-CE2 3.81Å; I100-Y121 CarbonylContact C-O 3.29Å; I100-Y121 PolarHBondContact N-O 3.31Å; S101-Y121 PolarHBondContact N-O 3.04Å; V119-Y121 HydrophobicContact CG1-CD1 3.83Å; V119-Y121 HydrophobicContact CG1-CD2 4.35Å; V119-Y121 HydrophobicContact CG1-CE1 3.37Å; V119-Y121 HydrophobicContact CG1-CE2 3.93Å; V119-Y121 HydrophobicContact CG1-CG 4.31Å; V119-Y121 VanDerWaalsContact CG1-CZ 3.43Å; Y121-D144 PolarHBondContact OH-OD2 2.91Å; Y121-L146 HydrophobicContact CD1-CB 3.51Å; Y121-L146 HydrophobicContact CD1-CD2 4.46Å; Y121-L146 HydrophobicContact CE1-CB 4.2Å; Y121-L146 HydrophobicContact CG-CB 4.18Å; Y121-L146 HydrophobicContact CG-CD2 4.48Å |
| 122 | M | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | trans | -138 | 27.3 | -175.9 | 65.9 | 177.2 | -69.2 | 0 | 0 | 112.9 | I100 M108 L120 N125 V127 L145 L146 F147 N150 | I100-M122 HydrophobicContact CG2-CB 3.83Å; M108-M122 HydrophobicContact CG-CE 4.17Å; M108-M122 HydrophobicContact SD-CE 3.79Å; M108-M122 HydrophobicContact SD-SD 3.95Å; L120-M122 HydrophobicContact CD1-CB 4.25Å; L120-M122 HydrophobicContact CD1-SD 4.46Å; L120-M122 HydrophobicContact CD2-CG 4.35Å; L120-M122 HydrophobicContact CD2-SD 3.59Å; L120-M122 VanDerWaalsContact CD2-SD 3.59Å; L120-M122 HydrophobicContact CG-CB 4.32Å; L120-M122 HydrophobicContact CG-CG 4.07Å; L120-M122 HydrophobicContact CG-SD 3.96Å; M122-N125 PolarHBondContact O-ND2 3.23Å; M122-V127 HydrophobicContact CE-CG2 3.73Å; M122-L145 HydrophobicContact CG-CD1 4.25Å; M122-L145 HydrophobicContact SD-CD1 4.37Å; M122-L146 CarbonylContact C-O 3.58Å; M122-L146 PolarHBondContact N-O 3.05Å; M122-F147 HydrophobicContact CE-CD2 4.01Å; M122-F147 HydrophobicContact CE-CE2 3.58Å; M122-F147 HydrophobicContact CG-CD2 3.77Å; M122-F147 HydrophobicContact CG-CE2 4.34Å; M122-F147 HydrophobicContact SD-CD2 3.68Å; M122-F147 HydrophobicContact SD-CE2 3.76Å; M122-N150 PolarHBondContact O-ND2 3.19Å | ||
| 123 | S | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | trans | -56 | 152.8 | 173.9 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | S101 Y102 L146 V148 | S101-S123 CarbonylContact C-O 3.42Å; S101-S123 WeakPolarHBondContact CA-O 3.45Å; S101-S123 VanDerWaalsContact CB-O 3.27Å; S101-S123 WeakPolarHBondContact CB-O 3.45Å; S101-S123 VanDerWaalsContact CB-OG 3.27Å; S101-S123 WeakPolarHBondContact CB-OG 3.48Å; S101-S123 PolarHBondContact OG-N 3.02Å; S101-S123 PolarHBondContact OG-OG 3.31Å; Y102-S123 PolarHBondContact N-O 2.88Å; S123-L146 PolarHBondContact N-O 2.99Å; S123-L146 VanDerWaalsContact N-O 3.09Å; S123-V148 CarbonylContact C-O 3.43Å; S123-V148 WeakPolarHBondContact CA-O 3.43Å; S123-V148 WeakPolarHBondContact CB-O 3.02Å | ||
| 124 | N | 98.7 | Very high | 98 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 31% | 0.31 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 55.3 | 53.8 | 178.7 | -55 | -96.7 | 0 | 0 | 0 | 111.8 | Y102 N103 V148 G149 | Y102-N124 WeakPolarHBondContact CA-O 3.21Å; Y102-N124 HydrophobicContact CD1-CB 3.46Å; Y102-N124 VanDerWaalsContact CD1-CB 3.46Å; Y102-N124 HydrophobicContact CD2-CB 4.49Å; Y102-N124 HydrophobicContact CE1-CB 3.55Å; Y102-N124 HydrophobicContact CG-CB 3.96Å; Y102-N124 VanDerWaalsContact CZ-ND2 3.27Å; Y102-N124 PolarHBondContact N-O 2.84Å; Y102-N124 PolarHBondContact OH-ND2 2.95Å; N103-N124 PolarHBondContact N-O 3.14Å; N124-V148 PolarHBondContact N-O 3.21Å; N124-G149 WeakPolarHBondContact CA-O 3.27Å |
| 125 | N | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -117.9 | -166.5 | 166.7 | -84.8 | -80.3 | 0 | 0 | 0 | 108.3 | I100 N103 I105 M122 N150 P151 | I100-N125 PolarHBondContact O-ND2 2.76Å; I100-N125 VanDerWaalsContact O-ND2 3.11Å; N103-N125 WeakPolarHBondContact CA-OD1 3.07Å; N103-N125 WeakPolarHBondContact CB-OD1 3.07Å; N103-N125 PolarHBondContact N-OD1 3.09Å; N103-N125 PolarHBondContact O-OD1 3.46Å; I105-N125 HydrophobicContact CB-CB 4.17Å; I105-N125 VanDerWaalsContact CB-OD1 3.28Å; I105-N125 WeakPolarHBondContact CB-OD1 3.19Å; I105-N125 WeakPolarHBondContact CG1-OD1 3.26Å; I105-N125 PolarHBondContact N-OD1 3.25Å; M122-N125 PolarHBondContact O-ND2 3.23Å; N125-N150 WeakPolarHBondContact CA-OD1 3.27Å; N125-N150 WeakPolarHBondContact CB-OD1 3.05Å; N125-N150 PolarHBondContact O-OD1 3.43Å; N125-P151 WeakPolarHBondContact O-CD 3.05Å |
| 126 | F | 98.6 | Very high | 98 | Very high | 106 Ų | 106 | 46 Ų | 46 | 47% | 0.465 | 22% | 0.218 | S | C | . | . | trans | -120.1 | 25.5 | -171.9 | -64.7 | -91.2 | 0 | 0 | 0 | 113 | N103 I105 E106 K128 N150 | N103-F126 WeakPolarHBondContact O-CE2 3.45Å; I105-F126 CarbonylContact O-C 3.31Å; I105-F126 VanDerWaalsContact O-C 3.31Å; I105-F126 WeakPolarHBondContact O-CA 3.37Å; I105-F126 PolarHBondContact O-N 2.93Å; E106-F126 HydrophobicContact CG-CB 3.61Å; F126-K128 PolarHBondContact O-N 2.91Å; F126-N150 PolarHBondContact N-OD1 2.83Å | ||
| 127 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -70.6 | 122.4 | 176.4 | -177.1 | 0 | 0 | 0 | 0 | 109 | I105 M108 M122 E132 F147 N150 P151 L152 | I105-V127 HydrophobicContact CG2-CG2 4.42Å; I105-V127 PolarHBondContact O-N 2.96Å; M108-V127 HydrophobicContact CE-CG1 4.33Å; M108-V127 HydrophobicContact CG-CG2 4.3Å; M122-V127 HydrophobicContact CE-CG2 3.73Å; V127-E132 HydrophobicContact CG1-CB 3.87Å; V127-F147 HydrophobicContact CB-CE2 4.29Å; V127-F147 HydrophobicContact CB-CZ 3.7Å; V127-F147 HydrophobicContact CG1-CE2 4.42Å; V127-F147 HydrophobicContact CG1-CZ 3.75Å; V127-F147 HydrophobicContact CG2-CE2 4.48Å; V127-F147 HydrophobicContact CG2-CZ 4.37Å; V127-N150 HydrophobicContact CB-CB 4.49Å; V127-N150 PolarHBondContact N-OD1 3.19Å; V127-P151 WeakPolarHBondContact O-CD 3.34Å; V127-L152 VanDerWaalsContact O-CB 3.3Å; V127-L152 WeakPolarHBondContact O-CB 3.34Å; V127-L152 PolarHBondContact O-N 3Å | ||
| 128 | K | 97.6 | Very high | 97.7 | Very high | 119 Ų | 119 | 47.1 Ų | 47.1 | 52% | 0.517 | 24% | 0.236 | S | C | . | . | trans | -120.5 | -11.5 | -171.8 | 71.6 | -172.7 | -178.7 | -179.8 | 0 | 115.1 | F126 P151 | F126-K128 PolarHBondContact O-N 2.91Å; K128-P151 HydrophobicContact CB-CB 3.89Å | ||
| 129 | D | 97 | Very high | 97.7 | Very high | 74 Ų | 74 | 43.2 Ų | 43.2 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | trans | -122.2 | 136.5 | -169.7 | -58.8 | -63.9 | 0 | 0 | 0 | 111.9 | S131 E132 F133 | D129-S131 PolarHBondContact O-N 2.65Å; D129-E132 PolarHBondContact O-N 3.47Å; D129-F133 PolarHBondContact O-N 2.84Å | ||
| 130 | W | 97.6 | Very high | 97.5 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 26% | 0.261 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.1 | -29.6 | 174.3 | -75.9 | 111.7 | 0 | 0 | 0 | 113.4 | E132 F133 Q134 L152 S156 W160 E163 | W130-E132 VanDerWaalsContact C-N 3.26Å; W130-E132 PolarHBondContact O-N 3.22Å; W130-F133 HydrophobicContact CE3-CB 4.09Å; W130-F133 AromaticContact CE3-CD1 3.83Å; W130-F133 HydrophobicContact CE3-CD1 3.83Å; W130-F133 HydrophobicContact CE3-CG 4.08Å; W130-F133 AromaticContact CZ3-CD1 3.7Å; W130-F133 HydrophobicContact CZ3-CD1 3.7Å; W130-F133 HydrophobicContact CZ3-CE1 4.01Å; W130-F133 HydrophobicContact CZ3-CG 4.09Å; W130-F133 PolarHBondContact O-N 2.81Å; W130-Q134 WeakPolarHBondContact O-CB 2.92Å; W130-Q134 PolarHBondContact O-N 3.23Å; W130-L152 HydrophobicContact CD2-CD1 3.84Å; W130-L152 HydrophobicContact CD2-CD2 4.2Å; W130-L152 HydrophobicContact CD2-CG 4.46Å; W130-L152 HydrophobicContact CE3-CD1 4.48Å; W130-L152 HydrophobicContact CE3-CD2 4.02Å; W130-L152 HydrophobicContact CG-CD1 3.91Å; W130-L152 HydrophobicContact CZ2-CD1 4.31Å; W130-L152 HydrophobicContact CZ3-CD2 4.32Å; W130-S156 WeakPolarHBondContact CZ2-OG 3.4Å; W130-W160 AromaticContact CH2-CE3 3.64Å; W130-W160 HydrophobicContact CH2-CE3 3.64Å; W130-W160 AromaticContact CH2-CZ3 3.5Å; W130-W160 HydrophobicContact CH2-CZ3 3.5Å; W130-W160 HydrophobicContact CZ2-CE3 4.18Å; W130-W160 HydrophobicContact CZ2-CZ3 4.23Å; W130-W160 HydrophobicContact CZ3-CE3 4.42Å; W130-W160 AromaticContact CZ3-CZ3 3.84Å; W130-W160 HydrophobicContact CZ3-CZ3 3.84Å; W130-E163 HydrophobicContact CH2-CB 3.46Å; W130-E163 VanDerWaalsContact CH2-CB 3.46Å; W130-E163 HydrophobicContact CZ2-CB 3.57Å; W130-E163 HydrophobicContact CZ2-CG 4.41Å; W130-E163 HydrophobicContact CZ3-CB 4.33Å |
| 131 | S | 96.9 | Very high | 97.5 | Very high | 82 Ų | 82 | 47.9 Ų | 47.9 | 57% | 0.573 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.5 | -30.1 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | D129 | D129-S131 PolarHBondContact O-N 2.65Å |
| 132 | E | 97.5 | Very high | 97.4 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.5 | -49.9 | 171.2 | -68.4 | -63.2 | 136.1 | 0 | 0 | 109.3 | K107 M108 V127 D129 W130 Q134 K135 | K107-E132 WeakPolarHBondContact CA-OE2 3.46Å; K107-E132 HydrophobicContact CG-CG 4.5Å; M108-E132 HydrophobicContact CE-CB 4.14Å; M108-E132 WeakPolarHBondContact CE-O 3.46Å; M108-E132 PolarHBondContact N-OE2 2.97Å; V127-E132 HydrophobicContact CG1-CB 3.87Å; D129-E132 PolarHBondContact O-N 3.47Å; W130-E132 VanDerWaalsContact C-N 3.26Å; W130-E132 PolarHBondContact O-N 3.22Å; E132-Q134 VanDerWaalsContact C-N 3.28Å; E132-Q134 PolarHBondContact O-N 2.79Å; E132-K135 VanDerWaalsContact O-CB 3.28Å; E132-K135 WeakPolarHBondContact O-CB 3.48Å; E132-K135 WeakPolarHBondContact O-CG 3.4Å; E132-K135 PolarHBondContact O-N 3.26Å; E132-K135 IonicContact OE1-NZ 3.9Å; E132-K135 PolarHBondContact OE1-NZ 3.33Å; E132-K135 IonicContact OE2-NZ 3.03Å; E132-K135 PolarHBondContact OE2-NZ 2.85Å |
| 133 | F | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.2 | -43 | 178.9 | -171.7 | -92.3 | 0 | 0 | 0 | 113.3 | M108 D129 W130 K135 L136 L145 F147 L152 W160 A164 R167 L168 | M108-F133 VanDerWaalsContact CE-CA 3.43Å; D129-F133 PolarHBondContact O-N 2.84Å; W130-F133 HydrophobicContact CE3-CB 4.09Å; W130-F133 AromaticContact CE3-CD1 3.83Å; W130-F133 HydrophobicContact CE3-CD1 3.83Å; W130-F133 HydrophobicContact CE3-CG 4.08Å; W130-F133 AromaticContact CZ3-CD1 3.7Å; W130-F133 HydrophobicContact CZ3-CD1 3.7Å; W130-F133 HydrophobicContact CZ3-CE1 4.01Å; W130-F133 HydrophobicContact CZ3-CG 4.09Å; W130-F133 PolarHBondContact O-N 2.81Å; F133-K135 PolarHBondContact O-N 2.86Å; F133-L136 HydrophobicContact CD2-CD1 4.06Å; F133-L136 HydrophobicContact CE2-CD1 3.98Å; F133-L136 HydrophobicContact CZ-CD1 4.47Å; F133-L136 VanDerWaalsContact O-CB 3.31Å; F133-L136 WeakPolarHBondContact O-CB 3.38Å; F133-L136 WeakPolarHBondContact O-CG 3.45Å; F133-L136 PolarHBondContact O-N 2.92Å; F133-L145 HydrophobicContact CE2-CD2 3.84Å; F133-L145 HydrophobicContact CZ-CD2 4.03Å; F133-F147 HydrophobicContact CD2-CD2 4.37Å; F133-F147 HydrophobicContact CD2-CE1 4.21Å; F133-F147 AromaticContact CD2-CE2 3.93Å; F133-F147 HydrophobicContact CD2-CE2 3.93Å; F133-F147 AromaticContact CD2-CZ 3.83Å; F133-F147 HydrophobicContact CD2-CZ 3.83Å; F133-F147 HydrophobicContact CE2-CD2 4.27Å; F133-F147 HydrophobicContact CE2-CE2 4.29Å; F133-F147 HydrophobicContact CE2-CG 4.39Å; F133-F147 HydrophobicContact CE2-CZ 4.41Å; F133-L152 HydrophobicContact CB-CD2 3.57Å; F133-L152 HydrophobicContact CD2-CD2 4.05Å; F133-L152 HydrophobicContact CG-CD2 4Å; F133-W160 AromaticContact CD2-CH2 3.76Å; F133-W160 HydrophobicContact CD2-CH2 3.76Å; F133-W160 HydrophobicContact CD2-CZ3 4.42Å; F133-W160 AromaticContact CE2-CH2 3.38Å; F133-W160 HydrophobicContact CE2-CH2 3.38Å; F133-W160 HydrophobicContact CE2-CZ2 4.01Å; F133-W160 HydrophobicContact CE2-CZ3 4.29Å; F133-W160 AromaticContact CZ-CH2 3.99Å; F133-W160 HydrophobicContact CZ-CH2 3.99Å; F133-W160 HydrophobicContact CZ-CZ2 4.5Å; F133-A164 HydrophobicContact CE1-CB 4.03Å; F133-A164 HydrophobicContact CZ-CB 3.67Å; F133-R167 HydrophobicContact CD1-CB 4.37Å; F133-R167 HydrophobicContact CE1-CB 4.22Å; F133-L168 HydrophobicContact CE1-CD1 3.61Å; F133-L168 HydrophobicContact CE1-CG 3.77Å; F133-L168 HydrophobicContact CE2-CD1 4.33Å; F133-L168 HydrophobicContact CZ-CD1 3.43Å; F133-L168 VanDerWaalsContact CZ-CD1 3.43Å; F133-L168 HydrophobicContact CZ-CG 4.11Å |
| 134 | Q | 96.3 | Very high | 97.4 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -58 | -23.9 | -179.4 | -169 | 63.3 | 50.9 | 0 | 0 | 113.5 | W130 E132 L136 A137 | W130-Q134 WeakPolarHBondContact O-CB 2.92Å; W130-Q134 PolarHBondContact O-N 3.23Å; E132-Q134 VanDerWaalsContact C-N 3.28Å; E132-Q134 PolarHBondContact O-N 2.79Å; Q134-L136 PolarHBondContact O-N 3.07Å; Q134-A137 VanDerWaalsContact O-CB 3.22Å; Q134-A137 WeakPolarHBondContact O-CB 2.8Å; Q134-A137 PolarHBondContact O-N 3.4Å |
| 135 | K | 97.1 | Very high | 97.4 | Very high | 59 Ų | 59 | 46 Ų | 46 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -62.7 | -22.7 | 176.4 | -61.1 | 176.1 | -174 | 171.3 | 0 | 112.7 | I111 E132 F133 A137 D138 | I111-K135 HydrophobicContact CG2-CB 3.99Å; E132-K135 VanDerWaalsContact O-CB 3.28Å; E132-K135 WeakPolarHBondContact O-CB 3.48Å; E132-K135 WeakPolarHBondContact O-CG 3.4Å; E132-K135 PolarHBondContact O-N 3.26Å; E132-K135 IonicContact OE1-NZ 3.9Å; E132-K135 PolarHBondContact OE1-NZ 3.33Å; E132-K135 IonicContact OE2-NZ 3.03Å; E132-K135 PolarHBondContact OE2-NZ 2.85Å; F133-K135 PolarHBondContact O-N 2.86Å; K135-A137 PolarHBondContact O-N 3.22Å; K135-D138 WeakPolarHBondContact O-CB 3.44Å; K135-D138 PolarHBondContact O-N 3.01Å |
| 136 | L | 97.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.6 | -23 | 174.2 | -63.4 | 175.9 | 0 | 0 | 0 | 112.2 | M108 I111 L120 F133 Q134 D138 L139 L142 L145 L168 | M108-L136 HydrophobicContact CE-CD1 4.28Å; M108-L136 HydrophobicContact CE-CD2 4.46Å; M108-L136 HydrophobicContact CE-CG 4.02Å; M108-L136 HydrophobicContact SD-CD1 4.24Å; M108-L136 HydrophobicContact SD-CD2 3.75Å; M108-L136 HydrophobicContact SD-CG 3.95Å; I111-L136 HydrophobicContact CD1-CD2 4.35Å; I111-L136 HydrophobicContact CG1-CD2 3.96Å; L120-L136 HydrophobicContact CD2-CD2 3.57Å; F133-L136 HydrophobicContact CD2-CD1 4.06Å; F133-L136 HydrophobicContact CE2-CD1 3.98Å; F133-L136 HydrophobicContact CZ-CD1 4.47Å; F133-L136 VanDerWaalsContact O-CB 3.31Å; F133-L136 WeakPolarHBondContact O-CB 3.38Å; F133-L136 WeakPolarHBondContact O-CG 3.45Å; F133-L136 PolarHBondContact O-N 2.92Å; Q134-L136 PolarHBondContact O-N 3.07Å; L136-D138 PolarHBondContact O-N 2.87Å; L136-L139 HydrophobicContact CD2-CD1 3.98Å; L136-L139 WeakPolarHBondContact O-CB 3.32Å; L136-L139 PolarHBondContact O-N 3.23Å; L136-L139 VanDerWaalsContact O-N 3.15Å; L136-L142 HydrophobicContact CB-CD2 4.12Å; L136-L142 HydrophobicContact CD2-CD2 4.41Å; L136-L145 HydrophobicContact CD1-CD1 4.28Å; L136-L145 HydrophobicContact CD1-CD2 3.86Å; L136-L168 HydrophobicContact CB-CD1 4.08Å; L136-L168 HydrophobicContact CB-CD2 3.71Å; L136-L168 HydrophobicContact CD1-CD1 4.22Å |
| 137 | A | 96.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 37% | 0.372 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -67.1 | -20.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q134 K135 L139 L168 | Q134-A137 VanDerWaalsContact O-CB 3.22Å; Q134-A137 WeakPolarHBondContact O-CB 2.8Å; Q134-A137 PolarHBondContact O-N 3.4Å; K135-A137 PolarHBondContact O-N 3.22Å; A137-L139 PolarHBondContact O-N 3.41Å; A137-L168 HydrophobicContact CB-CD2 3.98Å |
| 138 | D | 94.5 | Very high | 97.3 | Very high | 87 Ų | 87 | 46 Ų | 46 | 47% | 0.465 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -74.9 | -8.2 | 175.8 | -64.6 | -20.2 | 0 | 0 | 0 | 112.6 | N112 K135 L136 P140 | N112-D138 PolarHBondContact ND2-OD2 3.26Å; K135-D138 WeakPolarHBondContact O-CB 3.44Å; K135-D138 PolarHBondContact O-N 3.01Å; L136-D138 PolarHBondContact O-N 2.87Å; D138-P140 WeakPolarHBondContact O-CD 3.36Å |
| 139 | L | 97.2 | Very high | 97.3 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | trans | -85.7 | 113.7 | 177.3 | -60 | 178.1 | 0 | 0 | 0 | 109.5 | I111 L114 L117 L136 A137 V141 L142 | I111-L139 HydrophobicContact CD1-CD1 4.27Å; I111-L139 HydrophobicContact CG1-CD1 3.91Å; I111-L139 HydrophobicContact CG1-CD2 4.31Å; I111-L139 HydrophobicContact CG1-CG 4.42Å; I111-L139 WeakPolarHBondContact O-CD2 3.39Å; L114-L139 HydrophobicContact CB-CD2 4.35Å; L114-L139 WeakPolarHBondContact O-CD2 3.15Å; L117-L139 HydrophobicContact CD2-CD1 4.05Å; L136-L139 HydrophobicContact CD2-CD1 3.98Å; L136-L139 WeakPolarHBondContact O-CB 3.32Å; L136-L139 PolarHBondContact O-N 3.23Å; L136-L139 VanDerWaalsContact O-N 3.15Å; A137-L139 PolarHBondContact O-N 3.41Å; L139-V141 VanDerWaalsContact C-N 3.25Å; L139-V141 PolarHBondContact O-N 3.25Å; L139-L142 HydrophobicContact CB-CB 3.87Å; L139-L142 HydrophobicContact CD1-CB 4.24Å; L139-L142 HydrophobicContact CD1-CD1 4.47Å; L139-L142 HydrophobicContact CD1-CD2 4.09Å; L139-L142 HydrophobicContact CD1-CG 4.49Å | ||
| 140 | P | 95.7 | Very high | 97.4 | Very high | 63 Ų | 63 | 37.4 Ų | 37.4 | 41% | 0.409 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.9 | -166.8 | 28.6 | -36.1 | 0 | 0 | 0 | 114 | K115 D138 | K115-P140 WeakPolarHBondContact O-CG 3.46Å; D138-P140 WeakPolarHBondContact O-CD 3.36Å |
| 141 | V | 97.2 | Very high | 97.5 | Very high | 54 Ų | 54 | 35.7 Ų | 35.7 | 33% | 0.327 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 18.7 | -170.7 | -59.7 | 0 | 0 | 0 | 0 | 113.3 | L117 K118 L139 E143 | L117-V141 CarbonylContact O-C 3.52Å; K118-V141 WeakPolarHBondContact CA-O 3.28Å; K118-V141 HydrophobicContact CG-CB 4.47Å; K118-V141 HydrophobicContact CG-CG2 4.1Å; L139-V141 VanDerWaalsContact C-N 3.25Å; L139-V141 PolarHBondContact O-N 3.25Å; V141-E143 PolarHBondContact O-N 3.11Å |
| 142 | L | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 32 Ų | 32 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | trans | -68.7 | 120.5 | 176.6 | 179.7 | 70.7 | 0 | 0 | 0 | 109.8 | L117 L120 L136 L139 L171 | L117-L142 WeakPolarHBondContact O-CA 3.16Å; L117-L142 PolarHBondContact O-N 3.5Å; L120-L142 HydrophobicContact CB-CD1 3.86Å; L136-L142 HydrophobicContact CB-CD2 4.12Å; L136-L142 HydrophobicContact CD2-CD2 4.41Å; L139-L142 HydrophobicContact CB-CB 3.87Å; L139-L142 HydrophobicContact CD1-CB 4.24Å; L139-L142 HydrophobicContact CD1-CD1 4.47Å; L139-L142 HydrophobicContact CD1-CD2 4.09Å; L139-L142 HydrophobicContact CD1-CG 4.49Å; L142-L171 HydrophobicContact CD2-CD1 4.35Å; L142-L171 HydrophobicContact CG-CD1 4.13Å | ||
| 143 | E | 97.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 33 Ų | 33 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | trans | -120.4 | -30.5 | -174.9 | -70.2 | 179.4 | 160.8 | 0 | 0 | 112.8 | K118 V141 L171 K172 K173 | K118-E143 PolarHBondContact O-N 2.9Å; V141-E143 PolarHBondContact O-N 3.11Å; E143-L171 WeakPolarHBondContact O-CD1 3.19Å; E143-K172 HydrophobicContact CB-CB 4.37Å; E143-K172 HydrophobicContact CB-CD 4.15Å; E143-K172 HydrophobicContact CB-CG 4.29Å; E143-K172 HydrophobicContact CG-CD 3.93Å; E143-K172 HydrophobicContact CG-CG 4.3Å; E143-K172 WeakPolarHBondContact O-CA 3.18Å; E143-K172 PolarHBondContact O-N 3.07Å; E143-K172 WeakPolarHBondContact OE1-CE 3.38Å; E143-K172 IonicContact OE1-NZ 2.7Å; E143-K172 PolarHBondContact OE1-NZ 3.16Å; E143-K172 IonicContact OE2-NZ 3.2Å; E143-K173 PolarHBondContact O-N 2.75Å | ||
| 144 | D | 98.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 115.9 | -173.1 | -174.5 | -1.5 | 0 | 0 | 0 | 110.9 | K118 V119 L120 Y121 K173 | K118-D144 PolarHBondContact O-N 3.4Å; V119-D144 CarbonylContact C-O 3.18Å; V119-D144 WeakPolarHBondContact CA-O 3.47Å; V119-D144 HydrophobicContact CB-CB 4.35Å; V119-D144 HydrophobicContact CG1-CB 4.13Å; V119-D144 HydrophobicContact CG2-CB 4.08Å; L120-D144 PolarHBondContact N-O 3.46Å; Y121-D144 PolarHBondContact OH-OD2 2.91Å; D144-K173 VanDerWaalsContact CG-NZ 3.35Å; D144-K173 WeakPolarHBondContact OD1-CE 3.14Å; D144-K173 IonicContact OD1-NZ 2.72Å; D144-K173 PolarHBondContact OD1-NZ 3.28Å; D144-K173 WeakPolarHBondContact OD2-CE 3.36Å; D144-K173 IonicContact OD2-NZ 2.72Å; D144-K173 PolarHBondContact OD2-NZ 2.98Å |
| 145 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.8 | -178.6 | 179.1 | 62.2 | 0 | 0 | 0 | 110.6 | L120 M122 F133 L136 F147 L168 L171 K173 L174 D175 | L120-L145 HydrophobicContact CB-CD1 4.07Å; L120-L145 HydrophobicContact CD2-CD1 4.04Å; L120-L145 HydrophobicContact CG-CD1 4.01Å; L120-L145 WeakPolarHBondContact O-CA 3.14Å; M122-L145 HydrophobicContact CG-CD1 4.25Å; M122-L145 HydrophobicContact SD-CD1 4.37Å; F133-L145 HydrophobicContact CE2-CD2 3.84Å; F133-L145 HydrophobicContact CZ-CD2 4.03Å; L136-L145 HydrophobicContact CD1-CD1 4.28Å; L136-L145 HydrophobicContact CD1-CD2 3.86Å; L145-F147 HydrophobicContact CD1-CB 4.4Å; L145-F147 HydrophobicContact CD1-CD2 4.31Å; L145-F147 HydrophobicContact CD2-CB 4.33Å; L145-F147 HydrophobicContact CG-CB 4.11Å; L145-L168 HydrophobicContact CD2-CD1 3.93Å; L145-L171 HydrophobicContact CB-CD1 3.77Å; L145-L171 HydrophobicContact CB-CD2 4.1Å; L145-L171 HydrophobicContact CD2-CD2 4.45Å; L145-K173 PolarHBondContact N-O 3.41Å; L145-L174 HydrophobicContact CB-CD1 4.28Å; L145-L174 HydrophobicContact CD2-CD1 3.99Å; L145-L174 HydrophobicContact CG-CD1 4.19Å; L145-L174 CarbonylContact O-C 3.3Å; L145-L174 WeakPolarHBondContact O-CA 3.22Å; L145-D175 PolarHBondContact O-N 3.18Å |
| 146 | L | 98.6 | Very high | 97.5 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111.3 | 165.4 | -178.1 | 67.7 | 0 | 0 | 0 | 108.9 | L120 Y121 M122 S123 V148 | L120-L146 PolarHBondContact O-N 3.15Å; Y121-L146 HydrophobicContact CD1-CB 3.51Å; Y121-L146 HydrophobicContact CD1-CD2 4.46Å; Y121-L146 HydrophobicContact CE1-CB 4.2Å; Y121-L146 HydrophobicContact CG-CB 4.18Å; Y121-L146 HydrophobicContact CG-CD2 4.48Å; M122-L146 CarbonylContact C-O 3.58Å; M122-L146 PolarHBondContact N-O 3.05Å; S123-L146 PolarHBondContact N-O 2.99Å; S123-L146 VanDerWaalsContact N-O 3.09Å; L146-V148 HydrophobicContact CD1-CG2 3.98Å |
| 147 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -124.2 | -9.3 | -171.4 | -160.5 | -94.1 | 0 | 0 | 0 | 113.3 | M122 V127 F133 L145 N150 L152 E153 W160 D175 | M122-F147 HydrophobicContact CE-CD2 4.01Å; M122-F147 HydrophobicContact CE-CE2 3.58Å; M122-F147 HydrophobicContact CG-CD2 3.77Å; M122-F147 HydrophobicContact CG-CE2 4.34Å; M122-F147 HydrophobicContact SD-CD2 3.68Å; M122-F147 HydrophobicContact SD-CE2 3.76Å; V127-F147 HydrophobicContact CB-CE2 4.29Å; V127-F147 HydrophobicContact CB-CZ 3.7Å; V127-F147 HydrophobicContact CG1-CE2 4.42Å; V127-F147 HydrophobicContact CG1-CZ 3.75Å; V127-F147 HydrophobicContact CG2-CE2 4.48Å; V127-F147 HydrophobicContact CG2-CZ 4.37Å; F133-F147 HydrophobicContact CD2-CD2 4.37Å; F133-F147 HydrophobicContact CD2-CE1 4.21Å; F133-F147 AromaticContact CD2-CE2 3.93Å; F133-F147 HydrophobicContact CD2-CE2 3.93Å; F133-F147 AromaticContact CD2-CZ 3.83Å; F133-F147 HydrophobicContact CD2-CZ 3.83Å; F133-F147 HydrophobicContact CE2-CD2 4.27Å; F133-F147 HydrophobicContact CE2-CE2 4.29Å; F133-F147 HydrophobicContact CE2-CG 4.39Å; F133-F147 HydrophobicContact CE2-CZ 4.41Å; L145-F147 HydrophobicContact CD1-CB 4.4Å; L145-F147 HydrophobicContact CD1-CD2 4.31Å; L145-F147 HydrophobicContact CD2-CB 4.33Å; L145-F147 HydrophobicContact CG-CB 4.11Å; F147-N150 HydrophobicContact CD1-CB 3.79Å; F147-N150 HydrophobicContact CE1-CB 3.4Å; F147-N150 VanDerWaalsContact CE1-CB 3.4Å; F147-N150 HydrophobicContact CZ-CB 3.9Å; F147-N150 PolarHBondContact O-N 3.22Å; F147-N150 PolarHBondContact O-ND2 3.19Å; F147-L152 HydrophobicContact CE1-CB 4.15Å; F147-L152 HydrophobicContact CE1-CD2 4.18Å; F147-L152 HydrophobicContact CZ-CD2 4.28Å; F147-E153 HydrophobicContact CD1-CB 4.02Å; F147-E153 HydrophobicContact CE1-CB 4.4Å; F147-W160 HydrophobicContact CB-CZ2 3.92Å; F147-W160 AromaticContact CD1-CH2 3.28Å; F147-W160 HydrophobicContact CD1-CH2 3.28Å; F147-W160 AromaticContact CD1-CZ2 3.36Å; F147-W160 HydrophobicContact CD1-CZ2 3.36Å; F147-W160 HydrophobicContact CD1-CZ3 4.34Å; F147-W160 AromaticContact CE1-CH2 3.51Å; F147-W160 HydrophobicContact CE1-CH2 3.51Å; F147-W160 HydrophobicContact CE1-CZ2 4.09Å; F147-W160 HydrophobicContact CE1-CZ3 4.29Å; F147-W160 HydrophobicContact CG-CH2 4.03Å; F147-W160 AromaticContact CG-CZ2 3.88Å; F147-W160 HydrophobicContact CG-CZ2 3.88Å; F147-W160 HydrophobicContact CZ-CH2 4.42Å; F147-D175 PolarHBondContact N-OD1 3.24Å | ||
| 148 | V | 98.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -38.6 | 136 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 113.7 | S123 N124 L146 N150 D175 | S123-V148 CarbonylContact C-O 3.43Å; S123-V148 WeakPolarHBondContact CA-O 3.43Å; S123-V148 WeakPolarHBondContact CB-O 3.02Å; N124-V148 PolarHBondContact N-O 3.21Å; L146-V148 HydrophobicContact CD1-CG2 3.98Å; V148-N150 VanDerWaalsContact C-N 3.35Å; V148-D175 HydrophobicContact CG2-CB 3.61Å; V148-D175 VanDerWaalsContact CG2-CG 3.49Å; V148-D175 VanDerWaalsContact CG2-OD1 3.31Å; V148-D175 WeakPolarHBondContact CG2-OD1 3.18Å; V148-D175 PolarHBondContact N-OD1 2.83Å |
| 149 | G | 97.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 18.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N124 E153 | N124-G149 WeakPolarHBondContact CA-O 3.27Å; G149-E153 PolarHBondContact N-OE2 3.11Å |
| 150 | N | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -91.6 | 142.4 | 162.6 | -82.1 | -91.5 | 0 | 0 | 0 | 108.4 | M122 N125 F126 V127 F147 V148 L152 E153 E154 | M122-N150 PolarHBondContact O-ND2 3.19Å; N125-N150 WeakPolarHBondContact CA-OD1 3.27Å; N125-N150 WeakPolarHBondContact CB-OD1 3.05Å; N125-N150 PolarHBondContact O-OD1 3.43Å; F126-N150 PolarHBondContact N-OD1 2.83Å; V127-N150 HydrophobicContact CB-CB 4.49Å; V127-N150 PolarHBondContact N-OD1 3.19Å; F147-N150 HydrophobicContact CD1-CB 3.79Å; F147-N150 HydrophobicContact CE1-CB 3.4Å; F147-N150 VanDerWaalsContact CE1-CB 3.4Å; F147-N150 HydrophobicContact CZ-CB 3.9Å; F147-N150 PolarHBondContact O-N 3.22Å; F147-N150 PolarHBondContact O-ND2 3.19Å; V148-N150 VanDerWaalsContact C-N 3.35Å; N150-L152 PolarHBondContact O-N 2.81Å; N150-E153 WeakPolarHBondContact O-CB 3.48Å; N150-E153 PolarHBondContact O-N 2.76Å; N150-E154 PolarHBondContact O-N 2.86Å; N150-E154 VanDerWaalsContact O-N 3.1Å |
| 151 | P | 98.5 | Very high | 97.1 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.9 | -32.5 | -180 | -28.7 | 33.4 | 0 | 0 | 0 | 114.4 | N125 V127 K128 E153 N155 | N125-P151 WeakPolarHBondContact O-CD 3.05Å; V127-P151 WeakPolarHBondContact O-CD 3.34Å; K128-P151 HydrophobicContact CB-CB 3.89Å; P151-E153 VanDerWaalsContact C-N 3.34Å; P151-N155 WeakPolarHBondContact O-CB 3.45Å; P151-N155 PolarHBondContact O-N 3.09Å; P151-N155 PolarHBondContact O-ND2 2.84Å |
| 152 | L | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.9 | 176.1 | 65.9 | 0 | 0 | 0 | 111.7 | V127 W130 F133 F147 N150 S156 W160 | V127-L152 VanDerWaalsContact O-CB 3.3Å; V127-L152 WeakPolarHBondContact O-CB 3.34Å; V127-L152 PolarHBondContact O-N 3Å; W130-L152 HydrophobicContact CD2-CD1 3.84Å; W130-L152 HydrophobicContact CD2-CD2 4.2Å; W130-L152 HydrophobicContact CD2-CG 4.46Å; W130-L152 HydrophobicContact CE3-CD1 4.48Å; W130-L152 HydrophobicContact CE3-CD2 4.02Å; W130-L152 HydrophobicContact CG-CD1 3.91Å; W130-L152 HydrophobicContact CZ2-CD1 4.31Å; W130-L152 HydrophobicContact CZ3-CD2 4.32Å; F133-L152 HydrophobicContact CB-CD2 3.57Å; F133-L152 HydrophobicContact CD2-CD2 4.05Å; F133-L152 HydrophobicContact CG-CD2 4Å; F147-L152 HydrophobicContact CE1-CB 4.15Å; F147-L152 HydrophobicContact CE1-CD2 4.18Å; F147-L152 HydrophobicContact CZ-CD2 4.28Å; N150-L152 PolarHBondContact O-N 2.81Å; L152-S156 WeakPolarHBondContact O-CB 3.3Å; L152-S156 PolarHBondContact O-N 2.98Å; L152-S156 PolarHBondContact O-OG 2.73Å; L152-W160 HydrophobicContact CD2-CH2 4.34Å; L152-W160 HydrophobicContact CD2-CZ3 3.9Å; L152-W160 HydrophobicContact CG-CZ3 3.85Å |
| 153 | E | 97.9 | Very high | 96.9 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69 | -50.7 | 179.6 | 177.4 | -92 | 150 | 0 | 0 | 110.3 | F147 G149 N150 P151 N155 S156 W160 | F147-E153 HydrophobicContact CD1-CB 4.02Å; F147-E153 HydrophobicContact CE1-CB 4.4Å; G149-E153 PolarHBondContact N-OE2 3.11Å; N150-E153 WeakPolarHBondContact O-CB 3.48Å; N150-E153 PolarHBondContact O-N 2.76Å; P151-E153 VanDerWaalsContact C-N 3.34Å; E153-N155 VanDerWaalsContact C-N 3.26Å; E153-N155 PolarHBondContact O-N 2.86Å; E153-S156 PolarHBondContact O-N 2.94Å; E153-W160 HydrophobicContact CB-CD2 3.85Å; E153-W160 HydrophobicContact CB-CE3 4.09Å; E153-W160 HydrophobicContact CB-CG 4.35Å; E153-W160 HydrophobicContact CB-CH2 4.26Å; E153-W160 HydrophobicContact CB-CZ2 4.05Å; E153-W160 HydrophobicContact CB-CZ3 4.29Å; E153-W160 HydrophobicContact CG-CD2 3.65Å; E153-W160 HydrophobicContact CG-CE3 4.39Å; E153-W160 HydrophobicContact CG-CG 3.69Å; E153-W160 HydrophobicContact CG-CZ2 4.17Å |
| 154 | E | 97.5 | Very high | 96.9 | Very high | 128 Ų | 128 | 51.1 Ų | 51.1 | 60% | 0.598 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.5 | -38.6 | 178.8 | -64.5 | -179.2 | 164.5 | 0 | 0 | 112.5 | N150 | N150-E154 PolarHBondContact O-N 2.86Å; N150-E154 VanDerWaalsContact O-N 3.1Å |
| 155 | N | 97.5 | Very high | 96.7 | Very high | 134 Ų | 134 | 51.3 Ų | 51.3 | 72% | 0.717 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -80.4 | -14.3 | 179.1 | -68.2 | -38.5 | 0 | 0 | 0 | 114 | P151 E153 G157 | P151-N155 WeakPolarHBondContact O-CB 3.45Å; P151-N155 PolarHBondContact O-N 3.09Å; P151-N155 PolarHBondContact O-ND2 2.84Å; E153-N155 VanDerWaalsContact C-N 3.26Å; E153-N155 PolarHBondContact O-N 2.86Å; N155-G157 VanDerWaalsContact C-N 3.34Å |
| 156 | S | 96.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 57 Ų | 57 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -82 | -15.4 | -179.3 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | W130 L152 E153 N159 | W130-S156 WeakPolarHBondContact CZ2-OG 3.4Å; L152-S156 WeakPolarHBondContact O-CB 3.3Å; L152-S156 PolarHBondContact O-N 2.98Å; L152-S156 PolarHBondContact O-OG 2.73Å; E153-S156 PolarHBondContact O-N 2.94Å; S156-N159 PolarHBondContact O-N 3.38Å |
| 157 | G | 92.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | 54.9 | -143.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N155 N159 W160 | N155-G157 VanDerWaalsContact C-N 3.34Å; G157-N159 PolarHBondContact O-N 2.8Å; G157-N159 VanDerWaalsContact O-N 3.1Å; G157-W160 WeakPolarHBondContact O-CB 3.4Å; G157-W160 PolarHBondContact O-N 2.98Å; G157-W160 VanDerWaalsContact O-N 3.13Å |
| 158 | D | 92.6 | Very high | 96.3 | Very high | 171 Ų | 171 | 58 Ų | 58 | 91% | 0.914 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -62.3 | -21.7 | -175 | -61.8 | -27.3 | 0 | 0 | 0 | 113.8 | W160 | D158-W160 VanDerWaalsContact C-N 3.32Å; D158-W160 PolarHBondContact O-N 3.21Å |
| 159 | N | 93.9 | Very high | 96 | Very high | 101 Ų | 101 | 59.2 Ų | 59.2 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -82.9 | -5.9 | -178.7 | -66.6 | -19.6 | 0 | 0 | 0 | 113.6 | S156 G157 R161 E162 E163 | S156-N159 PolarHBondContact O-N 3.38Å; G157-N159 PolarHBondContact O-N 2.8Å; G157-N159 VanDerWaalsContact O-N 3.1Å; N159-R161 VanDerWaalsContact C-N 3.34Å; N159-R161 PolarHBondContact O-N 3.31Å; N159-E162 PolarHBondContact O-N 3.36Å; N159-E163 HydrophobicContact CB-CG 4.44Å; N159-E163 PolarHBondContact O-N 3.2Å |
| 160 | W | 96.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 4% | 0.038 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -47.8 | -53.9 | -176.3 | 165.2 | -119.9 | 0 | 0 | 0 | 112.7 | W130 F133 F147 L152 E153 G157 D158 E162 E163 A164 L174 D175 | W130-W160 AromaticContact CH2-CE3 3.64Å; W130-W160 HydrophobicContact CH2-CE3 3.64Å; W130-W160 AromaticContact CH2-CZ3 3.5Å; W130-W160 HydrophobicContact CH2-CZ3 3.5Å; W130-W160 HydrophobicContact CZ2-CE3 4.18Å; W130-W160 HydrophobicContact CZ2-CZ3 4.23Å; W130-W160 HydrophobicContact CZ3-CE3 4.42Å; W130-W160 AromaticContact CZ3-CZ3 3.84Å; W130-W160 HydrophobicContact CZ3-CZ3 3.84Å; F133-W160 AromaticContact CD2-CH2 3.76Å; F133-W160 HydrophobicContact CD2-CH2 3.76Å; F133-W160 HydrophobicContact CD2-CZ3 4.42Å; F133-W160 AromaticContact CE2-CH2 3.38Å; F133-W160 HydrophobicContact CE2-CH2 3.38Å; F133-W160 HydrophobicContact CE2-CZ2 4.01Å; F133-W160 HydrophobicContact CE2-CZ3 4.29Å; F133-W160 AromaticContact CZ-CH2 3.99Å; F133-W160 HydrophobicContact CZ-CH2 3.99Å; F133-W160 HydrophobicContact CZ-CZ2 4.5Å; F147-W160 HydrophobicContact CB-CZ2 3.92Å; F147-W160 AromaticContact CD1-CH2 3.28Å; F147-W160 HydrophobicContact CD1-CH2 3.28Å; F147-W160 AromaticContact CD1-CZ2 3.36Å; F147-W160 HydrophobicContact CD1-CZ2 3.36Å; F147-W160 HydrophobicContact CD1-CZ3 4.34Å; F147-W160 AromaticContact CE1-CH2 3.51Å; F147-W160 HydrophobicContact CE1-CH2 3.51Å; F147-W160 HydrophobicContact CE1-CZ2 4.09Å; F147-W160 HydrophobicContact CE1-CZ3 4.29Å; F147-W160 HydrophobicContact CG-CH2 4.03Å; F147-W160 AromaticContact CG-CZ2 3.88Å; F147-W160 HydrophobicContact CG-CZ2 3.88Å; F147-W160 HydrophobicContact CZ-CH2 4.42Å; L152-W160 HydrophobicContact CD2-CH2 4.34Å; L152-W160 HydrophobicContact CD2-CZ3 3.9Å; L152-W160 HydrophobicContact CG-CZ3 3.85Å; E153-W160 HydrophobicContact CB-CD2 3.85Å; E153-W160 HydrophobicContact CB-CE3 4.09Å; E153-W160 HydrophobicContact CB-CG 4.35Å; E153-W160 HydrophobicContact CB-CH2 4.26Å; E153-W160 HydrophobicContact CB-CZ2 4.05Å; E153-W160 HydrophobicContact CB-CZ3 4.29Å; E153-W160 HydrophobicContact CG-CD2 3.65Å; E153-W160 HydrophobicContact CG-CE3 4.39Å; E153-W160 HydrophobicContact CG-CG 3.69Å; E153-W160 HydrophobicContact CG-CZ2 4.17Å; G157-W160 WeakPolarHBondContact O-CB 3.4Å; G157-W160 PolarHBondContact O-N 2.98Å; G157-W160 VanDerWaalsContact O-N 3.13Å; D158-W160 VanDerWaalsContact C-N 3.32Å; D158-W160 PolarHBondContact O-N 3.21Å; W160-E162 PolarHBondContact O-N 3.36Å; W160-E163 PolarHBondContact O-N 2.7Å; W160-A164 HydrophobicContact CD2-CB 4.38Å; W160-A164 HydrophobicContact CE3-CB 4.42Å; W160-A164 HydrophobicContact CH2-CB 4.23Å; W160-A164 HydrophobicContact CZ2-CB 4.15Å; W160-A164 HydrophobicContact CZ3-CB 4.34Å; W160-A164 WeakPolarHBondContact O-CB 3.36Å; W160-A164 PolarHBondContact O-N 2.79Å; W160-L174 HydrophobicContact CZ2-CD1 4.42Å; W160-D175 PolarHBondContact NE1-OD2 3.22Å |
| 161 | R | 95.7 | Very high | 95.6 | Very high | 77 Ų | 77 | 65.7 Ų | 65.7 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | -174 | -67.3 | -173 | 64.8 | 77 | -0 | 112 | N159 A164 C165 L174 V177 P178 | N159-R161 VanDerWaalsContact C-N 3.34Å; N159-R161 PolarHBondContact O-N 3.31Å; R161-A164 PolarHBondContact O-N 3.34Å; R161-C165 WeakPolarHBondContact O-CB 3.41Å; R161-C165 PolarHBondContact O-N 2.83Å; R161-C165 PolarHBondContact O-SG 2.88Å; R161-L174 HydrophobicContact CB-CD2 4.35Å; R161-L174 HydrophobicContact CG-CD2 4.29Å; R161-L174 PolarHBondContact NH1-O 3.04Å; R161-V177 PolarHBondContact NH2-O 3.01Å; R161-P178 PolarHBondContact NH2-O 3.06Å |
| 162 | E | 94.7 | Very high | 95.6 | Very high | 109 Ų | 109 | 69.9 Ų | 69.9 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 179.9 | -173.9 | -174.1 | 156.2 | 0 | 0 | 110.5 | N159 W160 A164 C165 K166 | N159-E162 PolarHBondContact O-N 3.36Å; W160-E162 PolarHBondContact O-N 3.36Å; E162-A164 PolarHBondContact O-N 3.27Å; E162-C165 PolarHBondContact O-N 2.87Å; E162-K166 HydrophobicContact CG-CD 4.48Å; E162-K166 WeakPolarHBondContact O-CG 3.22Å; E162-K166 PolarHBondContact O-N 3.34Å; E162-K166 WeakPolarHBondContact OE1-CE 3.44Å; E162-K166 IonicContact OE1-NZ 2.65Å; E162-K166 PolarHBondContact OE1-NZ 2.68Å |
| 163 | E | 96.5 | Very high | 95.5 | Very high | 51 Ų | 51 | 72.7 Ų | 72.7 | 24% | 0.238 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.9 | -35.9 | -178.6 | -71.6 | -61.1 | 118.9 | 0 | 0 | 112.8 | W130 N159 W160 K166 R167 | W130-E163 HydrophobicContact CH2-CB 3.46Å; W130-E163 VanDerWaalsContact CH2-CB 3.46Å; W130-E163 HydrophobicContact CZ2-CB 3.57Å; W130-E163 HydrophobicContact CZ2-CG 4.41Å; W130-E163 HydrophobicContact CZ3-CB 4.33Å; N159-E163 HydrophobicContact CB-CG 4.44Å; N159-E163 PolarHBondContact O-N 3.2Å; W160-E163 PolarHBondContact O-N 2.7Å; E163-K166 IonicContact OE1-NZ 2.68Å; E163-K166 PolarHBondContact OE1-NZ 2.89Å; E163-R167 WeakPolarHBondContact O-CG 3.38Å; E163-R167 PolarHBondContact O-N 3.47Å; E163-R167 PolarHBondContact O-NH1 2.89Å; E163-R167 IonicContact OE2-CZ 3.48Å; E163-R167 IonicContact OE2-NH1 2.7Å; E163-R167 PolarHBondContact OE2-NH1 3.45Å; E163-R167 IonicContact OE2-NH2 2.7Å; E163-R167 PolarHBondContact OE2-NH2 3.03Å |
| 164 | A | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F133 W160 R161 E162 R167 L168 L174 | F133-A164 HydrophobicContact CE1-CB 4.03Å; F133-A164 HydrophobicContact CZ-CB 3.67Å; W160-A164 HydrophobicContact CD2-CB 4.38Å; W160-A164 HydrophobicContact CE3-CB 4.42Å; W160-A164 HydrophobicContact CH2-CB 4.23Å; W160-A164 HydrophobicContact CZ2-CB 4.15Å; W160-A164 HydrophobicContact CZ3-CB 4.34Å; W160-A164 WeakPolarHBondContact O-CB 3.36Å; W160-A164 PolarHBondContact O-N 2.79Å; R161-A164 PolarHBondContact O-N 3.34Å; E162-A164 PolarHBondContact O-N 3.27Å; A164-R167 PolarHBondContact O-N 3.48Å; A164-L168 PolarHBondContact O-N 3.49Å; A164-L174 HydrophobicContact CB-CD2 3.66Å |
| 165 | C | 95.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 65.8 Ų | 65.8 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.5 | -38.3 | -179.4 | -64.4 | 0 | 0 | 0 | 0 | 112 | R161 E162 R167 L168 V179 | R161-C165 WeakPolarHBondContact O-CB 3.41Å; R161-C165 PolarHBondContact O-N 2.83Å; R161-C165 PolarHBondContact O-SG 2.88Å; E162-C165 PolarHBondContact O-N 2.87Å; C165-R167 PolarHBondContact O-N 2.89Å; C165-L168 CarbonylContact O-C 3.39Å; C165-L168 PolarHBondContact O-N 3.29Å; C165-V179 HydrophobicContact CB-CG1 4.2Å; C165-V179 VanDerWaalsContact SG-CG1 3.58Å |
| 166 | K | 94.9 | Very high | 95.4 | Very high | 120 Ų | 120 | 61.9 Ų | 61.9 | 52% | 0.522 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.9 | -34.6 | 172.1 | -77.5 | 174.6 | -172.9 | 162.2 | 0 | 112.9 | E162 E163 | E162-K166 HydrophobicContact CG-CD 4.48Å; E162-K166 WeakPolarHBondContact O-CG 3.22Å; E162-K166 PolarHBondContact O-N 3.34Å; E162-K166 WeakPolarHBondContact OE1-CE 3.44Å; E162-K166 IonicContact OE1-NZ 2.65Å; E162-K166 PolarHBondContact OE1-NZ 2.68Å; E163-K166 IonicContact OE1-NZ 2.68Å; E163-K166 PolarHBondContact OE1-NZ 2.89Å |
| 167 | R | 95.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 23% | 0.226 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -87.1 | -22.9 | -178.7 | -69.7 | 173.9 | 178.1 | 68.3 | -2 | 113.1 | F133 E163 A164 C165 P169 | F133-R167 HydrophobicContact CD1-CB 4.37Å; F133-R167 HydrophobicContact CE1-CB 4.22Å; E163-R167 WeakPolarHBondContact O-CG 3.38Å; E163-R167 PolarHBondContact O-N 3.47Å; E163-R167 PolarHBondContact O-NH1 2.89Å; E163-R167 IonicContact OE2-CZ 3.48Å; E163-R167 IonicContact OE2-NH1 2.7Å; E163-R167 PolarHBondContact OE2-NH1 3.45Å; E163-R167 IonicContact OE2-NH2 2.7Å; E163-R167 PolarHBondContact OE2-NH2 3.03Å; A164-R167 PolarHBondContact O-N 3.48Å; C165-R167 PolarHBondContact O-N 2.89Å; R167-P169 VanDerWaalsContact C-CD 3.47Å; R167-P169 WeakPolarHBondContact O-CD 3.47Å |
| 168 | L | 95.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | trans | -124.5 | 69.4 | 179.8 | -56.4 | -179.7 | 0 | 0 | 0 | 110.3 | F133 L136 A137 L145 A164 C165 K170 L171 | F133-L168 HydrophobicContact CE1-CD1 3.61Å; F133-L168 HydrophobicContact CE1-CG 3.77Å; F133-L168 HydrophobicContact CE2-CD1 4.33Å; F133-L168 HydrophobicContact CZ-CD1 3.43Å; F133-L168 VanDerWaalsContact CZ-CD1 3.43Å; F133-L168 HydrophobicContact CZ-CG 4.11Å; L136-L168 HydrophobicContact CB-CD1 4.08Å; L136-L168 HydrophobicContact CB-CD2 3.71Å; L136-L168 HydrophobicContact CD1-CD1 4.22Å; A137-L168 HydrophobicContact CB-CD2 3.98Å; L145-L168 HydrophobicContact CD2-CD1 3.93Å; A164-L168 PolarHBondContact O-N 3.49Å; C165-L168 CarbonylContact O-C 3.39Å; C165-L168 PolarHBondContact O-N 3.29Å; L168-K170 PolarHBondContact O-N 3.26Å; L168-L171 HydrophobicContact CB-CB 3.99Å; L168-L171 HydrophobicContact CD1-CD2 4.3Å; L168-L171 VanDerWaalsContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CB 3.06Å; L168-L171 PolarHBondContact O-N 3.08Å | ||
| 169 | P | 92.2 | Very high | 95.6 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14.3 | -172.5 | 26.2 | -35.9 | 0 | 0 | 0 | 114.2 | R167 H181 | R167-P169 VanDerWaalsContact C-CD 3.47Å; R167-P169 WeakPolarHBondContact O-CD 3.47Å; P169-H181 PolarHBondContact O-CE1 3.24Å; P169-H181 PolarHBondContact O-NE2 3.1Å |
| 170 | K | 92.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 62.3 Ų | 62.3 | 64% | 0.639 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -4.9 | 178 | -61.6 | -176.3 | 177.5 | -175.4 | 0 | 113.8 | L168 K172 | L168-K170 PolarHBondContact O-N 3.26Å; K170-K172 PolarHBondContact O-N 2.79Å |
| 171 | L | 96.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | trans | -71.9 | 127.6 | -173.6 | -168.8 | 72.9 | 0 | 0 | 0 | 110.3 | L142 E143 L145 L168 L174 V179 H181 | L142-L171 HydrophobicContact CD2-CD1 4.35Å; L142-L171 HydrophobicContact CG-CD1 4.13Å; E143-L171 WeakPolarHBondContact O-CD1 3.19Å; L145-L171 HydrophobicContact CB-CD1 3.77Å; L145-L171 HydrophobicContact CB-CD2 4.1Å; L145-L171 HydrophobicContact CD2-CD2 4.45Å; L168-L171 HydrophobicContact CB-CB 3.99Å; L168-L171 HydrophobicContact CD1-CD2 4.3Å; L168-L171 VanDerWaalsContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CB 3.06Å; L168-L171 PolarHBondContact O-N 3.08Å; L171-L174 HydrophobicContact CD2-CB 3.77Å; L171-L174 HydrophobicContact CD2-CD1 3.96Å; L171-L174 HydrophobicContact CD2-CG 4.32Å; L171-V179 WeakPolarHBondContact O-CB 3.02Å; L171-H181 PolarHBondContact O-NE2 3.47Å | ||
| 172 | K | 96.8 | Very high | 92.8 | Very high | 120 Ų | 120 | 70 Ų | 70 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -94.8 | -26.9 | -178.1 | -64.2 | 179.8 | 177.6 | 168 | 0 | 113 | E143 K170 P178 V179 | E143-K172 HydrophobicContact CB-CB 4.37Å; E143-K172 HydrophobicContact CB-CD 4.15Å; E143-K172 HydrophobicContact CB-CG 4.29Å; E143-K172 HydrophobicContact CG-CD 3.93Å; E143-K172 HydrophobicContact CG-CG 4.3Å; E143-K172 WeakPolarHBondContact O-CA 3.18Å; E143-K172 PolarHBondContact O-N 3.07Å; E143-K172 WeakPolarHBondContact OE1-CE 3.38Å; E143-K172 IonicContact OE1-NZ 2.7Å; E143-K172 PolarHBondContact OE1-NZ 3.16Å; E143-K172 IonicContact OE2-NZ 3.2Å; K170-K172 PolarHBondContact O-N 2.79Å; K172-P178 WeakPolarHBondContact O-CA 3.31Å; K172-V179 PolarHBondContact O-N 3.44Å |
| 173 | K | 98 | Very high | 90.8 | Very high | 65 Ų | 65 | 74.6 Ų | 74.6 | 28% | 0.283 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 128.7 | 179.4 | -166.6 | 176.3 | 62.4 | -177.5 | 0 | 110 | E143 D144 L145 | E143-K173 PolarHBondContact O-N 2.75Å; D144-K173 VanDerWaalsContact CG-NZ 3.35Å; D144-K173 WeakPolarHBondContact OD1-CE 3.14Å; D144-K173 IonicContact OD1-NZ 2.72Å; D144-K173 PolarHBondContact OD1-NZ 3.28Å; D144-K173 WeakPolarHBondContact OD2-CE 3.36Å; D144-K173 IonicContact OD2-NZ 2.72Å; D144-K173 PolarHBondContact OD2-NZ 2.98Å; L145-K173 PolarHBondContact N-O 3.41Å |
| 174 | L | 98.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.6 | 175.8 | 178.6 | 60.6 | 0 | 0 | 0 | 108.2 | L145 W160 R161 A164 L171 G176 V177 V179 | L145-L174 HydrophobicContact CB-CD1 4.28Å; L145-L174 HydrophobicContact CD2-CD1 3.99Å; L145-L174 HydrophobicContact CG-CD1 4.19Å; L145-L174 CarbonylContact O-C 3.3Å; L145-L174 WeakPolarHBondContact O-CA 3.22Å; W160-L174 HydrophobicContact CZ2-CD1 4.42Å; R161-L174 HydrophobicContact CB-CD2 4.35Å; R161-L174 HydrophobicContact CG-CD2 4.29Å; R161-L174 PolarHBondContact NH1-O 3.04Å; A164-L174 HydrophobicContact CB-CD2 3.66Å; L171-L174 HydrophobicContact CD2-CB 3.77Å; L171-L174 HydrophobicContact CD2-CD1 3.96Å; L171-L174 HydrophobicContact CD2-CG 4.32Å; L174-G176 PolarHBondContact O-N 2.97Å; L174-V177 PolarHBondContact N-O 3.17Å; L174-V177 PolarHBondContact O-N 3.43Å; L174-V179 HydrophobicContact CB-CG2 3.85Å |
| 175 | D | 97.3 | Very high | 86.4 | Confident | 26 Ų | 26 | 82.6 Ų | 82.6 | 14% | 0.139 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 41 | 174.8 | -58.9 | -45 | 0 | 0 | 0 | 113.5 | L145 F147 V148 W160 V177 | L145-D175 PolarHBondContact O-N 3.18Å; F147-D175 PolarHBondContact N-OD1 3.24Å; V148-D175 HydrophobicContact CG2-CB 3.61Å; V148-D175 VanDerWaalsContact CG2-CG 3.49Å; V148-D175 VanDerWaalsContact CG2-OD1 3.31Å; V148-D175 WeakPolarHBondContact CG2-OD1 3.18Å; V148-D175 PolarHBondContact N-OD1 2.83Å; W160-D175 PolarHBondContact NE1-OD2 3.22Å; D175-V177 PolarHBondContact O-N 2.64Å |
| 176 | G | 95.3 | Very high | 84.3 | Confident | 52 Ų | 52 | 89.7 Ų | 89.7 | 54% | 0.536 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -5.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | L174 | L174-G176 PolarHBondContact O-N 2.97Š|
| 177 | V | 96.2 | Very high | 81.5 | Confident | 77 Ų | 77 | 93.6 Ų | 93.6 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.8 | -179.2 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | R161 L174 D175 | R161-V177 PolarHBondContact NH2-O 3.01Å; L174-V177 PolarHBondContact N-O 3.17Å; L174-V177 PolarHBondContact O-N 3.43Å; D175-V177 PolarHBondContact O-N 2.64Å |
| 178 | P | 96.2 | Very high | 78.7 | Confident | 90 Ų | 90 | 98.1 Ų | 98.1 | 58% | 0.584 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -52.4 | 143.8 | 174.5 | -26.5 | 35.1 | 0 | 0 | 0 | 112.5 | R161 K172 | R161-P178 PolarHBondContact NH2-O 3.06Å; K172-P178 WeakPolarHBondContact O-CA 3.31Å |
| 179 | V | 93.5 | Very high | 77.8 | Confident | 20 Ų | 20 | 102.6 Ų | 102.6 | 12% | 0.121 | 59% | 0.593 | C | S | . | * | trans | -98.2 | 119.9 | 171.1 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | C165 L171 K172 L174 H181 | C165-V179 HydrophobicContact CB-CG1 4.2Å; C165-V179 VanDerWaalsContact SG-CG1 3.58Å; L171-V179 WeakPolarHBondContact O-CB 3.02Å; K172-V179 PolarHBondContact O-N 3.44Å; L174-V179 HydrophobicContact CB-CG2 3.85Å; V179-H181 VanDerWaalsContact CG1-CE1 3.46Å; V179-H181 WeakPolarHBondContact CG1-CE1 3.37Å; V179-H181 WeakPolarHBondContact CG1-NE2 3.41Å | ||
| 180 | L | 83 | Confident | 77.1 | Confident | 165 Ų | 165 | 103.5 Ų | 103.5 | 86% | 0.864 | 60% | 0.595 | S | S | * | * | trans | -85.5 | 113.1 | 172.4 | -62.5 | 177.5 | 0 | 0 | 0 | 107.2 | ||||
| 181 | H | 75.6 | Confident | 76.2 | Confident | 80 Ų | 80 | 101.1 Ų | 101.1 | 37% | 0.37 | 59% | 0.593 | S | S | . | * | trans | -94.6 | 140.6 | 162.6 | -61.1 | -67 | 0 | 0 | 0 | 107 | P169 L171 V179 E183 | P169-H181 PolarHBondContact O-CE1 3.24Å; P169-H181 PolarHBondContact O-NE2 3.1Å; L171-H181 PolarHBondContact O-NE2 3.47Å; V179-H181 VanDerWaalsContact CG1-CE1 3.46Å; V179-H181 WeakPolarHBondContact CG1-CE1 3.37Å; V179-H181 WeakPolarHBondContact CG1-NE2 3.41Å; H181-E183 PolarHBondContact O-N 3.13Å | ||
| 182 | D | 68 | Low | 75.1 | Confident | 167 Ų | 167 | 106.9 Ų | 106.9 | 89% | 0.893 | 63% | 0.627 | S | S | * | * | trans | -61.8 | 107.9 | 166.4 | -70.9 | -29.7 | 0 | 0 | 0 | 106.4 | G184 | D182-G184 PolarHBondContact O-N 3.1Š| ||
| 183 | E | 52.7 | Low | 73.7 | Confident | 206 Ų | 206 | 106.1 Ų | 106.1 | 96% | 0.963 | 63% | 0.633 | S | S | * | * | trans | -63.5 | 88.6 | 175.9 | -71 | -177.1 | 165.8 | 0 | 0 | 108.2 | H181 | H181-E183 PolarHBondContact O-N 3.13Š| ||
| 184 | G | 52.7 | Low | 72.1 | Confident | 57 Ų | 57 | 108.8 Ų | 108.8 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | trans | -128.8 | -19.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | D182 | D182-G184 PolarHBondContact O-N 3.1Š| ||
| 185 | D | 49.3 | Very low | 70.2 | Confident | 163 Ų | 163 | 116.6 Ų | 116.6 | 87% | 0.872 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -146.8 | 27.5 | -167.7 | -73 | -46.9 | 0 | 0 | 0 | 115.8 | ||
| 186 | D | 49.8 | Very low | 68.2 | Low | 172 Ų | 172 | 123.5 Ų | 123.5 | 92% | 0.92 | 75% | 0.747 | S | S | * | * | trans | -115.6 | 54.3 | 171.5 | -85.6 | -29.9 | 0 | 0 | 0 | 111.7 | ||||
| 187 | E | 37.6 | Very low | 65.9 | Low | 203 Ų | 203 | 129.5 Ų | 129.5 | 95% | 0.949 | 77% | 0.765 | S | S | * | * | trans | -136 | 96.2 | 155.3 | -77.9 | -164.3 | 167.9 | 0 | 0 | 109.1 | ||||
| 188 | G | 36.3 | Very low | 63.1 | Low | 154 Ų | 154 | 134.3 Ų | 134.3 | 100% | 1.588 | 79% | 0.792 | S | S | * | * | trans | -172.8 | 0 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 |
Retrieved 188 of 188 residues in 48.9 ms
(Link to these results)