| 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 | 63.6 | Low | 89.8 | Confident | 226 Ų | 226 | 125.5 Ų | 125.5 | 100% | 1.113 | 61% | 0.61 | S | S | * | * | 0 | 110.3 | 0 | -79.6 | -65.1 | -170.3 | 0 | 0 | 107.3 | Q3 | M1-Q3 PolarHBondContact O-N 3.38Å; M1-Q3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | D | 86.1 | Confident | 90.2 | Very high | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 60% | 0.599 | S | S | * | * | trans | -70 | 109.5 | 179.3 | -64.1 | -30.9 | 0 | 0 | 0 | 109.3 | L4 P5 | D2-L4 VanDerWaalsContact C-N 3.31Å; D2-P5 WeakPolarHBondContact O-CD 3.3Å | ||
| 3 | Q | 92.1 | Very high | 90.3 | Very high | 149 Ų | 149 | 118.8 Ų | 118.8 | 70% | 0.696 | 57% | 0.57 | S | S | * | * | trans | -80.7 | -14.8 | -179.4 | -67.3 | 178.7 | -23.4 | 0 | 0 | 112.6 | M1 W6 V7 | M1-Q3 PolarHBondContact O-N 3.38Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; Q3-W6 PolarHBondContact O-N 3.22Å; Q3-W6 VanDerWaalsContact O-N 3.12Å; Q3-V7 WeakPolarHBondContact O-CG2 3.33Å; Q3-V7 PolarHBondContact O-N 3.2Å | ||
| 4 | L | 94.7 | Very high | 90.4 | Very high | 118 Ų | 118 | 113.7 Ų | 113.7 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -54.6 | -44.5 | -174.7 | -177.8 | 63.8 | 0 | 0 | 0 | 113.8 | D2 W6 V7 L8 | D2-L4 VanDerWaalsContact C-N 3.31Å; L4-W6 VanDerWaalsContact C-N 3.31Å; L4-W6 PolarHBondContact O-N 3.35Å; L4-V7 PolarHBondContact O-N 2.9Å; L4-L8 HydrophobicContact CD1-CD1 4.29Å; L4-L8 HydrophobicContact CD1-CG 4.19Å; L4-L8 HydrophobicContact CG-CD1 4.14Å; L4-L8 HydrophobicContact CG-CG 4.46Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 2.82Å |
| 5 | P | 93.7 | Very high | 90.4 | Very high | 81 Ų | 81 | 112.5 Ų | 112.5 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.3 | -39.6 | 177.9 | -23.8 | 35.4 | 0 | 0 | 0 | 113 | D2 L8 L9 | D2-P5 WeakPolarHBondContact O-CD 3.3Å; P5-L8 PolarHBondContact O-N 3.48Å; P5-L9 WeakPolarHBondContact O-CB 3.3Å; P5-L9 PolarHBondContact O-N 3.02Å |
| 6 | W | 91.8 | Very high | 90.3 | Very high | 171 Ų | 171 | 112.5 Ų | 112.5 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.5 | -40.1 | 178.5 | -67.7 | 108 | 0 | 0 | 0 | 112.5 | Q3 L4 L9 R10 | Q3-W6 PolarHBondContact O-N 3.22Å; Q3-W6 VanDerWaalsContact O-N 3.12Å; L4-W6 VanDerWaalsContact C-N 3.31Å; L4-W6 PolarHBondContact O-N 3.35Å; W6-L9 HydrophobicContact CE3-CD2 4.08Å; W6-L9 HydrophobicContact CZ3-CD2 4.07Å; W6-L9 PolarHBondContact O-N 2.84Å; W6-R10 PolarHBondContact O-N 3.44Å |
| 7 | V | 94.2 | Very high | 90.1 | Very high | 74 Ų | 74 | 117.1 Ų | 117.1 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.6 | -44.9 | 174.7 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | Q3 L4 L9 R10 I11 | Q3-V7 WeakPolarHBondContact O-CG2 3.33Å; Q3-V7 PolarHBondContact O-N 3.2Å; L4-V7 PolarHBondContact O-N 2.9Å; V7-L9 PolarHBondContact O-N 3.4Å; V7-R10 PolarHBondContact O-N 2.8Å; V7-I11 HydrophobicContact CG1-CD1 3.84Å; V7-I11 HydrophobicContact CG1-CG1 4.49Å; V7-I11 WeakPolarHBondContact O-CG1 3.49Å; V7-I11 PolarHBondContact O-N 3Å |
| 8 | L | 93.9 | Very high | 89.8 | Confident | 64 Ų | 64 | 116 Ų | 116 | 34% | 0.335 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.7 | -40.7 | 177.2 | -70.1 | 175.7 | 0 | 0 | 0 | 112.2 | L4 P5 I11 R12 | L4-L8 HydrophobicContact CD1-CD1 4.29Å; L4-L8 HydrophobicContact CD1-CG 4.19Å; L4-L8 HydrophobicContact CG-CD1 4.14Å; L4-L8 HydrophobicContact CG-CG 4.46Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 2.82Å; P5-L8 PolarHBondContact O-N 3.48Å; L8-I11 PolarHBondContact O-N 3.3Å; L8-R12 WeakPolarHBondContact O-CB 3.35Å; L8-R12 VanDerWaalsContact O-CG 3.23Å; L8-R12 WeakPolarHBondContact O-CG 3.39Å; L8-R12 PolarHBondContact O-N 3.3Å |
| 9 | L | 92.1 | Very high | 89.5 | Confident | 49 Ų | 49 | 111.8 Ų | 111.8 | 26% | 0.257 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.5 | -50.3 | 174.7 | -178.4 | 64.4 | 0 | 0 | 0 | 110.6 | P5 W6 V7 I11 R12 T13 L32 V34 | P5-L9 WeakPolarHBondContact O-CB 3.3Å; P5-L9 PolarHBondContact O-N 3.02Å; W6-L9 HydrophobicContact CE3-CD2 4.08Å; W6-L9 HydrophobicContact CZ3-CD2 4.07Å; W6-L9 PolarHBondContact O-N 2.84Å; V7-L9 PolarHBondContact O-N 3.4Å; L9-I11 PolarHBondContact O-N 3.05Å; L9-R12 PolarHBondContact O-N 3.16Å; L9-R12 VanDerWaalsContact O-N 3.1Å; L9-T13 HydrophobicContact CD1-CG2 4.11Å; L9-T13 PolarHBondContact O-N 3.05Å; L9-T13 PolarHBondContact O-OG1 2.91Å; L9-T13 VanDerWaalsContact O-OG1 3.13Å; L9-L32 HydrophobicContact CD1-CD1 4.48Å; L9-V34 HydrophobicContact CD1-CG1 4.26Å; L9-V34 HydrophobicContact CD2-CG1 4.36Å; L9-V34 HydrophobicContact CG-CG1 4.3Å |
| 10 | R | 92.5 | Very high | 89.3 | Confident | 196 Ų | 196 | 110.5 Ų | 110.5 | 74% | 0.74 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.1 | -45.4 | 179.4 | -177.6 | -180 | 178.5 | -176.6 | 0.6 | 112.6 | W6 V7 R12 A14 | W6-R10 PolarHBondContact O-N 3.44Å; V7-R10 PolarHBondContact O-N 2.8Å; R10-R12 PolarHBondContact O-N 2.96Å; R10-A14 WeakPolarHBondContact O-CB 3.47Å; R10-A14 PolarHBondContact O-N 3.1Å |
| 11 | I | 93.7 | Very high | 89.2 | Confident | 109 Ų | 109 | 106.5 Ų | 106.5 | 56% | 0.559 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.9 | -36.7 | 177.6 | -67.8 | 168.2 | 0 | 0 | 0 | 110.5 | V7 L8 L9 | V7-I11 HydrophobicContact CG1-CD1 3.84Å; V7-I11 HydrophobicContact CG1-CG1 4.49Å; V7-I11 WeakPolarHBondContact O-CG1 3.49Å; V7-I11 PolarHBondContact O-N 3Å; L8-I11 PolarHBondContact O-N 3.3Å; L9-I11 PolarHBondContact O-N 3.05Å |
| 12 | R | 93.8 | Very high | 90.5 | Very high | 127 Ų | 127 | 96 Ų | 96 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.6 | -38.8 | -176.6 | -77.9 | 174.9 | -176.2 | 145.1 | 0.8 | 113.5 | L8 L9 R10 S22 S23 A24 | L8-R12 WeakPolarHBondContact O-CB 3.35Å; L8-R12 VanDerWaalsContact O-CG 3.23Å; L8-R12 WeakPolarHBondContact O-CG 3.39Å; L8-R12 PolarHBondContact O-N 3.3Å; L9-R12 PolarHBondContact O-N 3.16Å; L9-R12 VanDerWaalsContact O-N 3.1Å; R10-R12 PolarHBondContact O-N 2.96Å; R12-S22 WeakPolarHBondContact O-CB 3.33Å; R12-S23 VanDerWaalsContact CA-OG 3.26Å; R12-S23 WeakPolarHBondContact CA-OG 3.37Å; R12-S23 PolarHBondContact O-N 3.42Å; R12-S23 PolarHBondContact O-OG 2.96Å; R12-S23 VanDerWaalsContact O-OG 3.05Å; R12-A24 HydrophobicContact CB-CB 4.31Å; R12-A24 WeakPolarHBondContact O-CB 3.22Å; R12-A24 PolarHBondContact O-N 2.9Å |
| 13 | T | 92 | Very high | 90.8 | Very high | 37 Ų | 37 | 90.8 Ų | 90.8 | 23% | 0.227 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -89.7 | -17.5 | -177.9 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | L9 S22 L32 V34 | L9-T13 HydrophobicContact CD1-CG2 4.11Å; L9-T13 PolarHBondContact O-N 3.05Å; L9-T13 PolarHBondContact O-OG1 2.91Å; L9-T13 VanDerWaalsContact O-OG1 3.13Å; T13-S22 VanDerWaalsContact O-CB 3.23Å; T13-S22 WeakPolarHBondContact O-CB 3.38Å; T13-L32 HydrophobicContact CG2-CB 3.79Å; T13-L32 HydrophobicContact CG2-CD1 3.97Å; T13-L32 HydrophobicContact CG2-CG 4.48Å; T13-V34 HydrophobicContact CG2-CG1 3.62Å |
| 14 | A | 91.9 | Very high | 90.8 | Very high | 47 Ų | 47 | 83.9 Ų | 83.9 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -60.5 | 125.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R10 S22 | R10-A14 WeakPolarHBondContact O-CB 3.47Å; R10-A14 PolarHBondContact O-N 3.1Å; A14-S22 WeakPolarHBondContact O-CA 3.22Å |
| 15 | P | 89.5 | Confident | 90.7 | Very high | 95 Ų | 95 | 81.4 Ų | 81.4 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 132.6 | 174.5 | 28.1 | -33 | 0 | 0 | 0 | 110.3 | ||
| 16 | K | 88.8 | Confident | 90.6 | Very high | 113 Ų | 113 | 82.6 Ų | 82.6 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 127.7 | 169 | -71.1 | -179.6 | 174.6 | 175.1 | 0 | 108.6 | D18 L19 A20 T21 | K16-D18 VanDerWaalsContact C-N 3.29Å; K16-D18 PolarHBondContact O-N 3.43Å; K16-L19 HydrophobicContact CB-CB 4.36Å; K16-L19 HydrophobicContact CD-CD1 4.15Å; K16-L19 PolarHBondContact O-N 2.82Å; K16-A20 WeakPolarHBondContact O-CA 3.47Å; K16-A20 PolarHBondContact O-N 2.99Å; K16-T21 PolarHBondContact N-O 2.89Å |
| 17 | Q | 87.2 | Confident | 90.6 | Very high | 191 Ų | 191 | 79.8 Ų | 79.8 | 89% | 0.893 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -55.9 | -44.5 | -178.6 | -72.4 | -179.9 | -27.2 | 0 | 0 | 111.8 | L19 A20 | Q17-L19 VanDerWaalsContact C-N 3.29Å; Q17-L19 PolarHBondContact O-N 2.78Å; Q17-A20 PolarHBondContact O-N 3.45Å |
| 18 | D | 84.7 | Confident | 90.4 | Very high | 97 Ų | 97 | 84 Ų | 84 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -64.2 | -31.1 | -177.8 | -52.9 | -22.3 | 0 | 0 | 0 | 113.6 | K16 S68 | K16-D18 VanDerWaalsContact C-N 3.29Å; K16-D18 PolarHBondContact O-N 3.43Å; D18-S68 WeakPolarHBondContact OD2-CB 3.5Å; D18-S68 PolarHBondContact OD2-OG 2.83Å |
| 19 | L | 84 | Confident | 90.1 | Very high | 36 Ų | 36 | 84.1 Ų | 84.1 | 19% | 0.188 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -105.1 | -8.3 | -175.3 | -59.7 | 179.6 | 0 | 0 | 0 | 113.3 | K16 Q17 T21 L26 V65 T67 | K16-L19 HydrophobicContact CB-CB 4.36Å; K16-L19 HydrophobicContact CD-CD1 4.15Å; K16-L19 PolarHBondContact O-N 2.82Å; Q17-L19 VanDerWaalsContact C-N 3.29Å; Q17-L19 PolarHBondContact O-N 2.78Å; L19-T21 PolarHBondContact O-N 2.89Å; L19-L26 HydrophobicContact CD1-CD1 3.94Å; L19-V65 HydrophobicContact CD2-CG1 4.3Å; L19-T67 HydrophobicContact CD2-CG2 3.93Å |
| 20 | A | 86.1 | Confident | 89.9 | Confident | 85 Ų | 85 | 84.2 Ų | 84.2 | 70% | 0.702 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 32.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K16 Q17 | K16-A20 WeakPolarHBondContact O-CA 3.47Å; K16-A20 PolarHBondContact O-N 2.99Å; Q17-A20 PolarHBondContact O-N 3.45Å |
| 21 | T | 86.6 | Confident | 89.5 | Confident | 28 Ų | 28 | 79 Ų | 79 | 17% | 0.172 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 149.5 | -172.9 | -99 | 0 | 0 | 0 | 0 | 110.8 | K16 L19 Q25 L26 | K16-T21 PolarHBondContact N-O 2.89Å; L19-T21 PolarHBondContact O-N 2.89Å; T21-Q25 HydrophobicContact CG2-CB 4.26Å; T21-Q25 HydrophobicContact CG2-CG 4.38Å; T21-L26 HydrophobicContact CG2-CD1 4.22Å; T21-L26 HydrophobicContact CG2-CD2 3.51Å; T21-L26 HydrophobicContact CG2-CG 3.45Å; T21-L26 VanDerWaalsContact CG2-CG 3.45Å |
| 22 | S | 91.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 76.6 Ų | 76.6 | 4% | 0.042 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 155.7 | 178 | 75.7 | 0 | 0 | 0 | 0 | 112.2 | R12 T13 A14 A24 Q25 L26 | R12-S22 WeakPolarHBondContact O-CB 3.33Å; T13-S22 VanDerWaalsContact O-CB 3.23Å; T13-S22 WeakPolarHBondContact O-CB 3.38Å; A14-S22 WeakPolarHBondContact O-CA 3.22Å; S22-A24 VanDerWaalsContact C-N 3.26Å; S22-A24 PolarHBondContact O-N 3.19Å; S22-Q25 PolarHBondContact O-N 3.05Å; S22-Q25 VanDerWaalsContact OG-CB 3.28Å; S22-Q25 WeakPolarHBondContact OG-CB 3.29Å; S22-Q25 PolarHBondContact OG-N 3.42Å; S22-L26 PolarHBondContact O-N 2.91Å; S22-L26 VanDerWaalsContact O-N 3.09Å |
| 23 | S | 92.3 | Very high | 88.9 | Confident | 33 Ų | 33 | 75.3 Ų | 75.3 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.6 | -33.4 | 177.8 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | R12 L26 V27 | R12-S23 VanDerWaalsContact CA-OG 3.26Å; R12-S23 WeakPolarHBondContact CA-OG 3.37Å; R12-S23 PolarHBondContact O-N 3.42Å; R12-S23 PolarHBondContact O-OG 2.96Å; R12-S23 VanDerWaalsContact O-OG 3.05Å; S23-L26 PolarHBondContact O-N 3.18Å; S23-V27 WeakPolarHBondContact O-CG2 3.36Å; S23-V27 PolarHBondContact O-N 3.31Å |
| 24 | A | 93.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 75 Ų | 75 | 3% | 0.033 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R12 S22 L26 V27 Y28 L32 | R12-A24 HydrophobicContact CB-CB 4.31Å; R12-A24 WeakPolarHBondContact O-CB 3.22Å; R12-A24 PolarHBondContact O-N 2.9Å; S22-A24 VanDerWaalsContact C-N 3.26Å; S22-A24 PolarHBondContact O-N 3.19Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-L26 PolarHBondContact O-N 3.16Å; A24-V27 PolarHBondContact O-N 3.27Å; A24-V27 VanDerWaalsContact O-N 3.16Å; A24-Y28 HydrophobicContact CB-CD2 4.14Å; A24-Y28 HydrophobicContact CB-CE2 4.34Å; A24-Y28 WeakPolarHBondContact O-CD2 3.32Å; A24-Y28 PolarHBondContact O-N 3.1Å; A24-L32 HydrophobicContact CB-CB 4.47Å; A24-L32 HydrophobicContact CB-CD1 3.35Å; A24-L32 HydrophobicContact CB-CG 3.66Å |
| 25 | Q | 92.2 | Very high | 88.1 | Confident | 67 Ų | 67 | 77.7 Ų | 77.7 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.9 | -33.8 | 178.3 | -177.5 | 175.9 | 0.5 | 0 | 0 | 112.7 | T21 S22 V27 G29 A30 | T21-Q25 HydrophobicContact CG2-CB 4.26Å; T21-Q25 HydrophobicContact CG2-CG 4.38Å; S22-Q25 PolarHBondContact O-N 3.05Å; S22-Q25 VanDerWaalsContact OG-CB 3.28Å; S22-Q25 WeakPolarHBondContact OG-CB 3.29Å; S22-Q25 PolarHBondContact OG-N 3.42Å; Q25-V27 VanDerWaalsContact C-N 3.29Å; Q25-V27 PolarHBondContact O-N 3.27Å; Q25-G29 WeakPolarHBondContact O-CA 3.41Å; Q25-G29 PolarHBondContact O-N 2.98Å; Q25-A30 WeakPolarHBondContact CA-O 3.49Å |
| 26 | L | 90.1 | Very high | 87.5 | Confident | 105 Ų | 105 | 75.8 Ų | 75.8 | 55% | 0.55 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.8 | -34.8 | 171.9 | -69 | 172.4 | 0 | 0 | 0 | 112.8 | L19 T21 S22 S23 A24 | L19-L26 HydrophobicContact CD1-CD1 3.94Å; T21-L26 HydrophobicContact CG2-CD1 4.22Å; T21-L26 HydrophobicContact CG2-CD2 3.51Å; T21-L26 HydrophobicContact CG2-CG 3.45Å; T21-L26 VanDerWaalsContact CG2-CG 3.45Å; S22-L26 PolarHBondContact O-N 2.91Å; S22-L26 VanDerWaalsContact O-N 3.09Å; S23-L26 PolarHBondContact O-N 3.18Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-L26 PolarHBondContact O-N 3.16Å |
| 27 | V | 91.8 | Very high | 87 | Confident | 112 Ų | 112 | 74.7 Ų | 74.7 | 68% | 0.679 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -82.1 | -48 | -177.3 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | S23 A24 Q25 | S23-V27 WeakPolarHBondContact O-CG2 3.36Å; S23-V27 PolarHBondContact O-N 3.31Å; A24-V27 PolarHBondContact O-N 3.27Å; A24-V27 VanDerWaalsContact O-N 3.16Å; Q25-V27 VanDerWaalsContact C-N 3.29Å; Q25-V27 PolarHBondContact O-N 3.27Å |
| 28 | Y | 91.3 | Very high | 86.1 | Confident | 164 Ų | 164 | 73.4 Ų | 73.4 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -93 | -10.3 | -173.4 | -59.4 | -61.8 | 0 | 0 | 0 | 113.6 | A24 A30 L32 | A24-Y28 HydrophobicContact CB-CD2 4.14Å; A24-Y28 HydrophobicContact CB-CE2 4.34Å; A24-Y28 WeakPolarHBondContact O-CD2 3.32Å; A24-Y28 PolarHBondContact O-N 3.1Å; Y28-A30 PolarHBondContact O-N 3.01Å; Y28-L32 HydrophobicContact CD2-CD2 4.13Å; Y28-L32 HydrophobicContact CD2-CG 4.29Å; Y28-L32 HydrophobicContact CE2-CD1 4.35Å; Y28-L32 HydrophobicContact CE2-CD2 4.1Å; Y28-L32 HydrophobicContact CE2-CG 4.38Å |
| 29 | G | 88.2 | Confident | 85.4 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 68% | 0.68 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 74.3 | -3.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q25 | Q25-G29 WeakPolarHBondContact O-CA 3.41Å; Q25-G29 PolarHBondContact O-N 2.98Å |
| 30 | A | 86.1 | Confident | 84.3 | Confident | 50 Ų | 50 | 78.7 Ų | 78.7 | 41% | 0.413 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -142 | 149.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q25 Y28 | Q25-A30 WeakPolarHBondContact CA-O 3.49Å; Y28-A30 PolarHBondContact O-N 3.01Å |
| 31 | P | 85.9 | Confident | 83.3 | Confident | 87 Ų | 87 | 85.3 Ų | 85.3 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | trans | -62.7 | 141.7 | 173.9 | 27.7 | -34 | 0 | 0 | 0 | 110.8 | ||||
| 32 | L | 87 | Confident | 82.1 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 31% | 0.309 | 52% | 0.519 | S | S | . | . | trans | -72.6 | 136.4 | 171.9 | -77.5 | 170.3 | 0 | 0 | 0 | 109.9 | L9 T13 A24 Y28 V34 | L9-L32 HydrophobicContact CD1-CD1 4.48Å; T13-L32 HydrophobicContact CG2-CB 3.79Å; T13-L32 HydrophobicContact CG2-CD1 3.97Å; T13-L32 HydrophobicContact CG2-CG 4.48Å; A24-L32 HydrophobicContact CB-CB 4.47Å; A24-L32 HydrophobicContact CB-CD1 3.35Å; A24-L32 HydrophobicContact CB-CG 3.66Å; Y28-L32 HydrophobicContact CD2-CD2 4.13Å; Y28-L32 HydrophobicContact CD2-CG 4.29Å; Y28-L32 HydrophobicContact CE2-CD1 4.35Å; Y28-L32 HydrophobicContact CE2-CD2 4.1Å; Y28-L32 HydrophobicContact CE2-CG 4.38Å; L32-V34 PolarHBondContact O-N 3.04Å | ||
| 33 | T | 86.6 | Confident | 80.5 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | trans | -71.1 | 112.5 | 172.4 | -45.6 | 0 | 0 | 0 | 0 | 110.3 | D37 F38 | T33-D37 HydrophobicContact CG2-CB 4.32Å; T33-F38 HydrophobicContact CG2-CE1 4.06Å; T33-F38 HydrophobicContact CG2-CE2 4.38Å; T33-F38 HydrophobicContact CG2-CZ 3.89Å | ||
| 34 | V | 86 | Confident | 79.2 | Confident | 31 Ų | 31 | 107.9 Ų | 107.9 | 19% | 0.188 | 58% | 0.58 | C | S | . | * | trans | -101.3 | 154.9 | 172.2 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | L9 T13 L32 G36 D37 | L9-V34 HydrophobicContact CD1-CG1 4.26Å; L9-V34 HydrophobicContact CD2-CG1 4.36Å; L9-V34 HydrophobicContact CG-CG1 4.3Å; T13-V34 HydrophobicContact CG2-CG1 3.62Å; L32-V34 PolarHBondContact O-N 3.04Å; V34-G36 PolarHBondContact O-N 2.76Å; V34-D37 VanDerWaalsContact CG2-OD2 3.29Å; V34-D37 WeakPolarHBondContact CG2-OD2 3.34Å; V34-D37 PolarHBondContact N-OD2 2.56Å; V34-D37 PolarHBondContact O-N 3.11Å | ||
| 35 | P | 80.4 | Confident | 77.9 | Confident | 103 Ų | 103 | 117.3 Ų | 117.3 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 104.3 | 168.9 | -22.9 | 33.8 | 0 | 0 | 0 | 110 | ||
| 36 | G | 78.3 | Confident | 77 | Confident | 54 Ų | 54 | 118.4 Ų | 118.4 | 56% | 0.557 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.9 | -25.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V34 F38 | V34-G36 PolarHBondContact O-N 2.76Å; G36-F38 VanDerWaalsContact C-N 3.26Å; G36-F38 PolarHBondContact O-N 3.44Å |
| 37 | D | 77.7 | Confident | 76.6 | Confident | 90 Ų | 90 | 119.6 Ų | 119.6 | 48% | 0.481 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -6.1 | -178.8 | -68.6 | -17.9 | 0 | 0 | 0 | 113.9 | T33 V34 I39 | T33-D37 HydrophobicContact CG2-CB 4.32Å; V34-D37 VanDerWaalsContact CG2-OD2 3.29Å; V34-D37 WeakPolarHBondContact CG2-OD2 3.34Å; V34-D37 PolarHBondContact N-OD2 2.56Å; V34-D37 PolarHBondContact O-N 3.11Å; D37-I39 PolarHBondContact O-N 3.05Å |
| 38 | F | 69.2 | Low | 76.1 | Confident | 164 Ų | 164 | 118.4 Ų | 118.4 | 72% | 0.719 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 6.1 | -174.9 | -66.1 | -75.9 | 0 | 0 | 0 | 114.8 | T33 G36 P40 | T33-F38 HydrophobicContact CG2-CE1 4.06Å; T33-F38 HydrophobicContact CG2-CE2 4.38Å; T33-F38 HydrophobicContact CG2-CZ 3.89Å; G36-F38 VanDerWaalsContact C-N 3.26Å; G36-F38 PolarHBondContact O-N 3.44Å; F38-P40 WeakPolarHBondContact O-CD 3.36Å |
| 39 | I | 68.7 | Low | 75.8 | Confident | 133 Ų | 133 | 113.8 Ų | 113.8 | 68% | 0.682 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -78.6 | 108.9 | 173.2 | -57.5 | 175.4 | 0 | 0 | 0 | 107.2 | D37 Y41 | D37-I39 PolarHBondContact O-N 3.05Å; I39-Y41 PolarHBondContact O-N 2.8Å |
| 40 | P | 61.8 | Low | 75.8 | Confident | 112 Ų | 112 | 115.7 Ų | 115.7 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | trans | -66.4 | 111.9 | -176 | 27.4 | -33.3 | 0 | 0 | 0 | 109.4 | F38 R42 | F38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-R42 PolarHBondContact O-N 2.8Å; P40-R42 VanDerWaalsContact O-N 3.15Å | ||
| 41 | Y | 65.6 | Low | 75.8 | Confident | 223 Ų | 223 | 116.5 Ų | 116.5 | 88% | 0.875 | 61% | 0.613 | S | S | * | * | trans | -64.6 | 113.6 | 158.3 | -84.2 | -88.3 | 0 | 0 | 0 | 106.8 | I39 C43 | I39-Y41 PolarHBondContact O-N 2.8Å; Y41-C43 PolarHBondContact O-N 2.77Å | ||
| 42 | R | 59.5 | Low | 75.8 | Confident | 247 Ų | 247 | 116.9 Ų | 116.9 | 93% | 0.932 | 61% | 0.61 | S | S | * | * | trans | -64.3 | 85.8 | 171.5 | -73 | -175.3 | 178.6 | -174.9 | -0.5 | 108.5 | P40 K44 | P40-R42 PolarHBondContact O-N 2.8Å; P40-R42 VanDerWaalsContact O-N 3.15Å; R42-K44 PolarHBondContact O-N 3.16Å | ||
| 43 | C | 58.5 | Low | 76 | Confident | 109 Ų | 109 | 119.9 Ų | 119.9 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | trans | -73.5 | 121.3 | 169.2 | -155.3 | 0 | 0 | 0 | 0 | 106.9 | Y41 E45 | Y41-C43 PolarHBondContact O-N 2.77Å; C43-E45 PolarHBondContact O-N 2.84Å | ||
| 44 | K | 65.9 | Low | 76.1 | Confident | 186 Ų | 186 | 119.6 Ų | 119.6 | 81% | 0.809 | 61% | 0.609 | S | S | * | * | trans | -58.7 | 131.8 | 175 | -65.9 | 177 | 179.2 | 178.4 | 0 | 107.8 | R42 E46 | R42-K44 PolarHBondContact O-N 3.16Å; K44-E46 PolarHBondContact O-N 3.13Å | ||
| 45 | E | 64.8 | Low | 76.2 | Confident | 202 Ų | 202 | 122 Ų | 122 | 94% | 0.944 | 62% | 0.621 | S | S | * | * | trans | -58.3 | 106.6 | 173.1 | -68.5 | 173.8 | -178.7 | 0 | 0 | 108 | C43 | C43-E45 PolarHBondContact O-N 2.84Š| ||
| 46 | E | 72.8 | Confident | 76.7 | Confident | 89 Ų | 89 | 124.8 Ų | 124.8 | 42% | 0.416 | 62% | 0.618 | S | S | . | * | trans | -87.6 | 137.5 | 172.2 | -73.6 | 177.3 | 179.6 | 0 | 0 | 108.5 | K44 R54 | K44-E46 PolarHBondContact O-N 3.13Å; E46-R54 VanDerWaalsContact CD-NH1 3.31Å; E46-R54 IonicContact OE1-CZ 3Å; E46-R54 IonicContact OE1-NH1 3.97Å; E46-R54 PolarHBondContact OE1-NH1 2.94Å; E46-R54 IonicContact OE1-NH2 3.11Å; E46-R54 IonicContact OE2-CZ 3.99Å; E46-R54 IonicContact OE2-NE 3.05Å; E46-R54 IonicContact OE2-NH1 3.38Å; E46-R54 PolarHBondContact OE2-NH1 3.09Å; E46-R54 IonicContact OE2-NH2 2.56Å; E46-R54 PolarHBondContact OE2-NH2 2.95Å | ||
| 47 | E | 81.7 | Confident | 77.3 | Confident | 130 Ų | 130 | 126.3 Ų | 126.3 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | trans | -48.1 | 131 | 171.2 | -86.2 | -70.9 | 149.4 | 0 | 0 | 111.2 | A49 N50 L51 | E47-A49 PolarHBondContact O-N 2.95Å; E47-A49 VanDerWaalsContact O-N 3.12Å; E47-N50 HydrophobicContact CB-CB 4.43Å; E47-N50 WeakPolarHBondContact O-CB 3.18Å; E47-N50 PolarHBondContact O-N 3.45Å; E47-L51 PolarHBondContact O-N 2.95Å; E47-L51 VanDerWaalsContact O-N 3.09Å | ||
| 48 | P | 83.1 | Confident | 77.8 | Confident | 88 Ų | 88 | 127.8 Ų | 127.8 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.1 | -31.8 | -171.9 | 22 | -34.3 | 0 | 0 | 0 | 113.3 | L51 L52 | P48-L51 PolarHBondContact O-N 3.09Å; P48-L52 WeakPolarHBondContact O-CG 3.42Å; P48-L52 PolarHBondContact O-N 2.92Å |
| 49 | A | 84.6 | Confident | 78.7 | Confident | 67 Ų | 67 | 124.6 Ų | 124.6 | 55% | 0.554 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.4 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E47 L52 H53 | E47-A49 PolarHBondContact O-N 2.95Å; E47-A49 VanDerWaalsContact O-N 3.12Å; A49-L52 PolarHBondContact O-N 2.87Å; A49-H53 WeakPolarHBondContact O-CB 3.32Å; A49-H53 PolarHBondContact O-N 3.34Å |
| 50 | N | 87.8 | Confident | 79.7 | Confident | 105 Ų | 105 | 127.5 Ų | 127.5 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.6 | -38.7 | 178.1 | -68.7 | -25 | 0 | 0 | 0 | 111.2 | E47 H53 R54 | E47-N50 HydrophobicContact CB-CB 4.43Å; E47-N50 WeakPolarHBondContact O-CB 3.18Å; E47-N50 PolarHBondContact O-N 3.45Å; N50-H53 PolarHBondContact O-N 2.81Å; N50-R54 WeakPolarHBondContact O-CB 3.33Å; N50-R54 PolarHBondContact O-N 3.38Å |
| 51 | L | 86.3 | Confident | 81 | Confident | 68 Ų | 68 | 125.6 Ų | 125.6 | 36% | 0.356 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.8 | -49.1 | 174.4 | 177.6 | 62.7 | 0 | 0 | 0 | 111.4 | E47 P48 H53 R54 L55 | E47-L51 PolarHBondContact O-N 2.95Å; E47-L51 VanDerWaalsContact O-N 3.09Å; P48-L51 PolarHBondContact O-N 3.09Å; L51-H53 PolarHBondContact O-N 2.98Å; L51-R54 PolarHBondContact O-N 3.21Å; L51-L55 HydrophobicContact CD1-CD1 4.2Å; L51-L55 HydrophobicContact CD1-CG 4.26Å; L51-L55 HydrophobicContact CG-CD1 4.08Å; L51-L55 WeakPolarHBondContact O-CB 3.09Å; L51-L55 WeakPolarHBondContact O-CG 3.37Å; L51-L55 PolarHBondContact O-N 3.1Å |
| 52 | L | 86.4 | Confident | 81.9 | Confident | 95 Ų | 95 | 121.1 Ų | 121.1 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.5 | -42.3 | 178.2 | -76.9 | 177.7 | 0 | 0 | 0 | 112.2 | P48 A49 L55 R56 | P48-L52 WeakPolarHBondContact O-CG 3.42Å; P48-L52 PolarHBondContact O-N 2.92Å; A49-L52 PolarHBondContact O-N 2.87Å; L52-L55 PolarHBondContact O-N 2.74Å; L52-R56 WeakPolarHBondContact O-CG 3.32Å; L52-R56 PolarHBondContact O-N 3.3Å |
| 53 | H | 89.8 | Confident | 83 | Confident | 121 Ų | 121 | 114.6 Ų | 114.6 | 56% | 0.56 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.8 | -48.6 | 176 | -172.9 | 66.3 | 0 | 0 | 0 | 110.9 | A49 N50 L51 L55 R56 E57 | A49-H53 WeakPolarHBondContact O-CB 3.32Å; A49-H53 PolarHBondContact O-N 3.34Å; N50-H53 PolarHBondContact O-N 2.81Å; L51-H53 PolarHBondContact O-N 2.98Å; H53-L55 PolarHBondContact O-N 3Å; H53-R56 PolarHBondContact O-N 2.76Å; H53-E57 WeakPolarHBondContact O-CG 3.41Å; H53-E57 PolarHBondContact O-N 3.21Å |
| 54 | R | 89.8 | Confident | 84 | Confident | 94 Ų | 94 | 115.3 Ų | 115.3 | 36% | 0.355 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.5 | -41.1 | 177.3 | -172.6 | 179.7 | 68 | -172.4 | -9.8 | 113 | E46 N50 L51 E57 K58 | E46-R54 VanDerWaalsContact CD-NH1 3.31Å; E46-R54 IonicContact OE1-CZ 3Å; E46-R54 IonicContact OE1-NH1 3.97Å; E46-R54 PolarHBondContact OE1-NH1 2.94Å; E46-R54 IonicContact OE1-NH2 3.11Å; E46-R54 IonicContact OE2-CZ 3.99Å; E46-R54 IonicContact OE2-NE 3.05Å; E46-R54 IonicContact OE2-NH1 3.38Å; E46-R54 PolarHBondContact OE2-NH1 3.09Å; E46-R54 IonicContact OE2-NH2 2.56Å; E46-R54 PolarHBondContact OE2-NH2 2.95Å; N50-R54 WeakPolarHBondContact O-CB 3.33Å; N50-R54 PolarHBondContact O-N 3.38Å; L51-R54 PolarHBondContact O-N 3.21Å; R54-E57 PolarHBondContact O-N 3.09Å; R54-K58 WeakPolarHBondContact O-CB 3.41Å; R54-K58 WeakPolarHBondContact O-CG 3.46Å; R54-K58 PolarHBondContact O-N 3.01Å |
| 55 | L | 87.4 | Confident | 84.6 | Confident | 82 Ų | 82 | 110.9 Ų | 110.9 | 43% | 0.429 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65 | -43.9 | 177.7 | -74.2 | 172.9 | 0 | 0 | 0 | 111.5 | L51 L52 H53 K58 V59 | L51-L55 HydrophobicContact CD1-CD1 4.2Å; L51-L55 HydrophobicContact CD1-CG 4.26Å; L51-L55 HydrophobicContact CG-CD1 4.08Å; L51-L55 WeakPolarHBondContact O-CB 3.09Å; L51-L55 WeakPolarHBondContact O-CG 3.37Å; L51-L55 PolarHBondContact O-N 3.1Å; L52-L55 PolarHBondContact O-N 2.74Å; H53-L55 PolarHBondContact O-N 3Å; L55-K58 PolarHBondContact O-N 2.68Å; L55-V59 WeakPolarHBondContact O-CB 3.49Å; L55-V59 VanDerWaalsContact O-CG2 3.26Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 3.04Å |
| 56 | R | 90.1 | Very high | 85.1 | Confident | 162 Ų | 162 | 106.7 Ų | 106.7 | 61% | 0.611 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.2 | -44.6 | 176 | -75.7 | 176.8 | 175.9 | 161.2 | -0.4 | 111.8 | L52 H53 V59 R60 | L52-R56 WeakPolarHBondContact O-CG 3.32Å; L52-R56 PolarHBondContact O-N 3.3Å; H53-R56 PolarHBondContact O-N 2.76Å; R56-V59 PolarHBondContact O-N 2.89Å; R56-R60 WeakPolarHBondContact O-CB 2.95Å; R56-R60 WeakPolarHBondContact O-CG 3.18Å; R56-R60 PolarHBondContact O-N 2.8Å |
| 57 | E | 91.6 | Very high | 85.2 | Confident | 85 Ų | 85 | 107.2 Ų | 107.2 | 40% | 0.397 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.3 | -43.9 | 176.3 | -71.6 | -57.3 | 114.8 | 0 | 0 | 111.7 | H53 R54 R60 A61 | H53-E57 WeakPolarHBondContact O-CG 3.41Å; H53-E57 PolarHBondContact O-N 3.21Å; R54-E57 PolarHBondContact O-N 3.09Å; E57-R60 PolarHBondContact O-N 2.93Å; E57-R60 IonicContact OE1-NH1 2.8Å; E57-R60 PolarHBondContact OE1-NH1 2.84Å; E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 2.8Å |
| 58 | K | 88.9 | Confident | 84.6 | Confident | 122 Ų | 122 | 103.3 Ų | 103.3 | 53% | 0.53 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.3 | -49.4 | 174 | -78.7 | -175.6 | 177.5 | -174.4 | 0 | 111.9 | R54 L55 R60 A61 L62 | R54-K58 WeakPolarHBondContact O-CB 3.41Å; R54-K58 WeakPolarHBondContact O-CG 3.46Å; R54-K58 PolarHBondContact O-N 3.01Å; L55-K58 PolarHBondContact O-N 2.68Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 2.84Å; K58-A61 CarbonylContact O-C 3.48Å; K58-A61 PolarHBondContact O-N 3.38Å; K58-A61 VanDerWaalsContact O-N 3.12Å; K58-L62 WeakPolarHBondContact O-CG 3.36Å; K58-L62 PolarHBondContact O-N 2.93Å |
| 59 | V | 88.6 | Confident | 83.8 | Confident | 96 Ų | 96 | 106.6 Ų | 106.6 | 58% | 0.582 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.6 | -39.4 | -179.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L55 R56 A61 L62 | L55-V59 WeakPolarHBondContact O-CB 3.49Å; L55-V59 VanDerWaalsContact O-CG2 3.26Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 3.04Å; R56-V59 PolarHBondContact O-N 2.89Å; V59-A61 VanDerWaalsContact C-N 3.3Å; V59-A61 PolarHBondContact O-N 2.91Å; V59-L62 HydrophobicContact CB-CD1 4.47Å; V59-L62 HydrophobicContact CG2-CD1 4.32Å; V59-L62 WeakPolarHBondContact O-CB 3.07Å; V59-L62 PolarHBondContact O-N 3.27Å |
| 60 | R | 88 | Confident | 83.1 | Confident | 194 Ų | 194 | 110.7 Ų | 110.7 | 73% | 0.732 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.8 | -35.3 | 173.6 | -76.3 | 170 | 172.9 | -176 | -7.8 | 112.6 | R56 E57 K58 L62 | R56-R60 WeakPolarHBondContact O-CB 2.95Å; R56-R60 WeakPolarHBondContact O-CG 3.18Å; R56-R60 PolarHBondContact O-N 2.8Å; E57-R60 PolarHBondContact O-N 2.93Å; E57-R60 IonicContact OE1-NH1 2.8Å; E57-R60 PolarHBondContact OE1-NH1 2.84Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 2.84Å; R60-L62 VanDerWaalsContact C-N 3.33Å |
| 61 | A | 89 | Confident | 82.1 | Confident | 72 Ų | 72 | 108 Ų | 108 | 60% | 0.595 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -2.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E57 K58 V59 T63 | E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 2.8Å; K58-A61 CarbonylContact O-C 3.48Å; K58-A61 PolarHBondContact O-N 3.38Å; K58-A61 VanDerWaalsContact O-N 3.12Å; V59-A61 VanDerWaalsContact C-N 3.3Å; V59-A61 PolarHBondContact O-N 2.91Å; A61-T63 PolarHBondContact O-N 2.79Å |
| 62 | L | 84.5 | Confident | 81.2 | Confident | 130 Ų | 130 | 111.3 Ų | 111.3 | 68% | 0.681 | 59% | 0.587 | S | S | * | * | trans | -69.1 | 101.9 | 178.3 | -71.7 | 177 | 0 | 0 | 0 | 110.1 | K58 V59 R60 | K58-L62 WeakPolarHBondContact O-CG 3.36Å; K58-L62 PolarHBondContact O-N 2.93Å; V59-L62 HydrophobicContact CB-CD1 4.47Å; V59-L62 HydrophobicContact CG2-CD1 4.32Å; V59-L62 WeakPolarHBondContact O-CB 3.07Å; V59-L62 PolarHBondContact O-N 3.27Å; R60-L62 VanDerWaalsContact C-N 3.33Å | ||
| 63 | T | 82.6 | Confident | 80.5 | Confident | 110 Ų | 110 | 112.5 Ų | 112.5 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 144.7 | 162 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | A61 V65 | A61-T63 PolarHBondContact O-N 2.79Å; T63-V65 PolarHBondContact O-N 3.28Å; T63-V65 VanDerWaalsContact O-N 3.13Å |
| 64 | P | 80.2 | Confident | 79.9 | Confident | 123 Ų | 123 | 117.4 Ų | 117.4 | 80% | 0.799 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 122.8 | 173 | 23.5 | -32.3 | 0 | 0 | 0 | 109.6 | P66 | P64-P66 WeakPolarHBondContact O-CD 3.19Š|
| 65 | V | 78.7 | Confident | 79.3 | Confident | 93 Ų | 93 | 115.9 Ų | 115.9 | 56% | 0.564 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -71 | 120.3 | 174.7 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | L19 T63 T67 | L19-V65 HydrophobicContact CD2-CG1 4.3Å; T63-V65 PolarHBondContact O-N 3.28Å; T63-V65 VanDerWaalsContact O-N 3.13Å; V65-T67 PolarHBondContact O-N 3.17Å; V65-T67 VanDerWaalsContact O-N 3.13Å |
| 66 | P | 75.2 | Confident | 79 | Confident | 115 Ų | 115 | 119.2 Ų | 119.2 | 75% | 0.747 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.2 | 176.2 | 24.2 | -31.7 | 0 | 0 | 0 | 108.4 | P64 | P64-P66 WeakPolarHBondContact O-CD 3.19Š|
| 67 | T | 74.1 | Confident | 78.8 | Confident | 99 Ų | 99 | 112.9 Ų | 112.9 | 61% | 0.607 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 155.8 | 173.4 | 54.3 | 0 | 0 | 0 | 0 | 109.2 | L19 V65 F69 | L19-T67 HydrophobicContact CD2-CG2 3.93Å; V65-T67 PolarHBondContact O-N 3.17Å; V65-T67 VanDerWaalsContact O-N 3.13Å; T67-F69 PolarHBondContact O-N 2.91Å |
| 68 | S | 69.7 | Low | 78.5 | Confident | 48 Ų | 48 | 111.5 Ų | 111.5 | 34% | 0.336 | 61% | 0.605 | S | S | . | * | trans | -59.6 | 103.3 | 172.6 | 35.4 | 0 | 0 | 0 | 0 | 109.8 | D18 H70 | D18-S68 WeakPolarHBondContact OD2-CB 3.5Å; D18-S68 PolarHBondContact OD2-OG 2.83Å; S68-H70 PolarHBondContact O-N 3.15Å; S68-H70 PolarHBondContact OG-NE2 3.1Å | ||
| 69 | F | 66 | Low | 78.4 | Confident | 158 Ų | 158 | 111 Ų | 111 | 69% | 0.693 | 61% | 0.612 | S | S | * | * | trans | -77.8 | 90 | 173.2 | -173.7 | -107.6 | 0 | 0 | 0 | 109 | T67 G71 N72 | T67-F69 PolarHBondContact O-N 2.91Å; F69-G71 VanDerWaalsContact CE1-CA 3.46Å; F69-G71 PolarHBondContact O-N 3.27Å; F69-G71 VanDerWaalsContact O-N 3.1Å; F69-N72 HydrophobicContact CD1-CB 4.2Å; F69-N72 HydrophobicContact CE1-CB 4.28Å | ||
| 70 | H | 70.1 | Confident | 78.3 | Confident | 153 Ų | 153 | 111.5 Ų | 111.5 | 71% | 0.708 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 1.7 | 173.1 | -57.2 | -61.6 | 0 | 0 | 0 | 113.3 | S68 | S68-H70 PolarHBondContact O-N 3.15Å; S68-H70 PolarHBondContact OG-NE2 3.1Å |
| 71 | G | 67 | Low | 78.4 | Confident | 48 Ų | 48 | 102.3 Ų | 102.3 | 50% | 0.495 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | 2.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | F69 T73 | F69-G71 VanDerWaalsContact CE1-CA 3.46Å; F69-G71 PolarHBondContact O-N 3.27Å; F69-G71 VanDerWaalsContact O-N 3.1Å; G71-T73 PolarHBondContact O-N 2.61Å |
| 72 | N | 66.8 | Low | 78.4 | Confident | 138 Ų | 138 | 105.3 Ų | 105.3 | 74% | 0.738 | 58% | 0.577 | S | S | * | * | trans | -84.2 | 12.2 | -176.8 | -148.5 | 13.5 | 0 | 0 | 0 | 114.2 | F69 R74 | F69-N72 HydrophobicContact CD1-CB 4.2Å; F69-N72 HydrophobicContact CE1-CB 4.28Å; N72-R74 PolarHBondContact O-N 3.44Å | ||
| 73 | T | 72.2 | Confident | 78.5 | Confident | 120 Ų | 120 | 105.3 Ų | 105.3 | 74% | 0.736 | 58% | 0.577 | S | S | * | * | trans | -72.1 | 110.7 | 173.1 | -54.6 | 0 | 0 | 0 | 0 | 108.1 | G71 | G71-T73 PolarHBondContact O-N 2.61Š| ||
| 74 | R | 77 | Confident | 78.8 | Confident | 224 Ų | 224 | 100.4 Ų | 100.4 | 85% | 0.845 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 123.6 | 174.5 | -67.7 | -177.2 | -178.6 | -176.9 | 0.6 | 108.3 | N72 H76 | N72-R74 PolarHBondContact O-N 3.44Å; R74-H76 PolarHBondContact O-N 3.04Å |
| 75 | P | 77.6 | Confident | 79.4 | Confident | 62 Ų | 62 | 98.4 Ų | 98.4 | 40% | 0.403 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 130.3 | 179.3 | 29.7 | -35.9 | 0 | 0 | 0 | 109.4 | L113 T114 | P75-L113 HydrophobicContact CG-CB 3.9Å; P75-T114 HydrophobicContact CB-CG2 3.33Å; P75-T114 HydrophobicContact CG-CG2 3.87Å |
| 76 | H | 82.2 | Confident | 80.1 | Confident | 152 Ų | 152 | 96.1 Ų | 96.1 | 70% | 0.704 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -96.6 | 121.1 | 175.9 | 179.3 | 70.5 | 0 | 0 | 0 | 108.9 | R74 | R74-H76 PolarHBondContact O-N 3.04Š|
| 77 | V | 84.4 | Confident | 81 | Confident | 28 Ų | 28 | 90.7 Ų | 90.7 | 17% | 0.17 | 48% | 0.481 | C | S | . | . | trans | -107.3 | 125.1 | 170.3 | -174.9 | 0 | 0 | 0 | 0 | 107.4 | T79 L81 L113 F116 V129 | V77-T79 PolarHBondContact O-N 2.88Å; V77-L81 HydrophobicContact CG1-CB 4.15Å; V77-L81 HydrophobicContact CG1-CD2 4.23Å; V77-L113 WeakPolarHBondContact CG2-O 3.42Å; V77-F116 HydrophobicContact CG1-CE2 4.2Å; V77-F116 HydrophobicContact CG1-CZ 4.02Å; V77-V129 HydrophobicContact CG2-CG2 4.18Å | ||
| 78 | P | 85.3 | Confident | 82 | Confident | 56 Ų | 56 | 88.9 Ų | 88.9 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | trans | -54.7 | 136.2 | 172.5 | -24.4 | 33.8 | 0 | 0 | 0 | 110.5 | D80 L81 K82 | P78-D80 PolarHBondContact O-N 3.05Å; P78-L81 HydrophobicContact CB-CB 4.4Å; P78-L81 WeakPolarHBondContact O-CB 3.44Å; P78-L81 PolarHBondContact O-N 3.16Å; P78-K82 PolarHBondContact O-N 3.12Å | ||
| 79 | T | 86.6 | Confident | 83.1 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 68% | 0.681 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -52.3 | -43.3 | -176.6 | -48.8 | 0 | 0 | 0 | 0 | 111.6 | V77 L81 K82 | V77-T79 PolarHBondContact O-N 2.88Å; T79-L81 VanDerWaalsContact C-N 3.26Å; T79-L81 PolarHBondContact O-N 3.46Å; T79-K82 WeakPolarHBondContact O-CB 3.49Å; T79-K82 PolarHBondContact O-N 3.5Å; T79-K82 VanDerWaalsContact O-N 3.16Å |
| 80 | D | 87.3 | Confident | 84.5 | Confident | 107 Ų | 107 | 83.1 Ų | 83.1 | 57% | 0.572 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.1 | -30.5 | -179 | -55.2 | -9.1 | 0 | 0 | 0 | 112.8 | P78 S84 P134 | P78-D80 PolarHBondContact O-N 3.05Å; D80-S84 WeakPolarHBondContact O-CB 3.42Å; D80-P134 HydrophobicContact CB-CB 4.3Å; D80-P134 HydrophobicContact CB-CG 3.91Å |
| 81 | L | 90.6 | Very high | 85.4 | Confident | 2 Ų | 2 | 79.3 Ų | 79.3 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -78.4 | -30.7 | 179.8 | -159.2 | 82.3 | 0 | 0 | 0 | 111.6 | V77 P78 T79 D83 S84 V87 F116 V129 L132 P134 | V77-L81 HydrophobicContact CG1-CB 4.15Å; V77-L81 HydrophobicContact CG1-CD2 4.23Å; P78-L81 HydrophobicContact CB-CB 4.4Å; P78-L81 WeakPolarHBondContact O-CB 3.44Å; P78-L81 PolarHBondContact O-N 3.16Å; T79-L81 VanDerWaalsContact C-N 3.26Å; T79-L81 PolarHBondContact O-N 3.46Å; L81-D83 PolarHBondContact O-N 2.98Å; L81-S84 WeakPolarHBondContact CA-OG 3.18Å; L81-S84 PolarHBondContact O-N 3.33Å; L81-S84 PolarHBondContact O-OG 3.31Å; L81-V87 HydrophobicContact CD1-CG1 3.75Å; L81-F116 HydrophobicContact CD2-CD2 4.37Å; L81-F116 HydrophobicContact CD2-CE1 4.11Å; L81-F116 HydrophobicContact CD2-CE2 3.82Å; L81-F116 HydrophobicContact CD2-CZ 3.66Å; L81-F116 HydrophobicContact CG-CE1 4.01Å; L81-F116 HydrophobicContact CG-CZ 3.9Å; L81-F116 WeakPolarHBondContact O-CE1 3.41Å; L81-V129 HydrophobicContact CD2-CB 4.47Å; L81-V129 HydrophobicContact CD2-CG1 3.87Å; L81-V129 HydrophobicContact CD2-CG2 4.32Å; L81-L132 HydrophobicContact CD1-CB 3.97Å; L81-L132 HydrophobicContact CD2-CB 4.12Å; L81-P134 HydrophobicContact CD1-CB 4.37Å |
| 82 | K | 87.9 | Confident | 86.3 | Confident | 134 Ų | 134 | 81.2 Ų | 81.2 | 58% | 0.583 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.2 | -37.5 | -173.5 | -165.2 | -177.4 | 179.8 | -172.5 | 0 | 112.4 | P78 T79 H111 | P78-K82 PolarHBondContact O-N 3.12Å; T79-K82 WeakPolarHBondContact O-CB 3.49Å; T79-K82 PolarHBondContact O-N 3.5Å; T79-K82 VanDerWaalsContact O-N 3.16Å; K82-H111 PolarHBondContact O-CE1 3.06Å; K82-H111 PolarHBondContact O-ND1 3.17Å |
| 83 | D | 86.5 | Confident | 87.3 | Confident | 130 Ų | 130 | 78.1 Ų | 78.1 | 70% | 0.695 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 9.3 | -178.9 | -56.8 | -41.3 | 0 | 0 | 0 | 112.8 | L81 P85 | L81-D83 PolarHBondContact O-N 2.98Å; D83-P85 VanDerWaalsContact O-CD 3.29Å; D83-P85 WeakPolarHBondContact O-CD 3.21Å |
| 84 | S | 90 | Very high | 87.9 | Confident | 8 Ų | 8 | 80.4 Ų | 80.4 | 6% | 0.056 | 41% | 0.411 | C | S | . | . | trans | -70.3 | 118.3 | -177 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | D80 L81 Y86 V87 V108 H111 | D80-S84 WeakPolarHBondContact O-CB 3.42Å; L81-S84 WeakPolarHBondContact CA-OG 3.18Å; L81-S84 PolarHBondContact O-N 3.33Å; L81-S84 PolarHBondContact O-OG 3.31Å; S84-Y86 VanDerWaalsContact C-N 3.27Å; S84-Y86 PolarHBondContact O-N 2.99Å; S84-V87 WeakPolarHBondContact OG-CG1 3.34Å; S84-V108 WeakPolarHBondContact O-CG2 3.35Å; S84-H111 PolarHBondContact O-CE1 2.99Å | ||
| 85 | P | 92.2 | Very high | 88.2 | Confident | 81 Ų | 81 | 73.4 Ų | 73.4 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -72.7 | -23.8 | 177.7 | 27 | -32.5 | 0 | 0 | 0 | 112.7 | D83 V108 | D83-P85 VanDerWaalsContact O-CD 3.29Å; D83-P85 WeakPolarHBondContact O-CD 3.21Å; P85-V108 PolarHBondContact O-N 3.26Å |
| 86 | Y | 93.3 | Very high | 88.6 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.7 | 179.5 | -66.1 | -87.1 | 0 | 0 | 0 | 110.9 | S84 P105 F106 R107 A135 L137 I143 T145 | S84-Y86 VanDerWaalsContact C-N 3.27Å; S84-Y86 PolarHBondContact O-N 2.99Å; Y86-P105 HydrophobicContact CD1-CB 4.23Å; Y86-P105 HydrophobicContact CG-CB 4.44Å; Y86-F106 CarbonylContact C-O 3.59Å; Y86-F106 VanDerWaalsContact CA-O 3.22Å; Y86-F106 WeakPolarHBondContact CA-O 3.47Å; Y86-R107 HydrophobicContact CD1-CB 4.15Å; Y86-R107 HydrophobicContact CE1-CB 3.8Å; Y86-R107 HydrophobicContact CE1-CG 4.21Å; Y86-A135 WeakPolarHBondContact O-CB 3.33Å; Y86-A135 PolarHBondContact O-N 3.44Å; Y86-L137 HydrophobicContact CD1-CD1 4.28Å; Y86-L137 HydrophobicContact CD2-CD1 3.85Å; Y86-L137 HydrophobicContact CG-CD1 3.7Å; Y86-I143 HydrophobicContact CD1-CG2 4.07Å; Y86-I143 HydrophobicContact CD2-CD1 4.22Å; Y86-I143 HydrophobicContact CE1-CG2 3.64Å; Y86-I143 HydrophobicContact CE2-CD1 3.48Å; Y86-I143 VanDerWaalsContact CE2-CD1 3.48Å; Y86-I143 HydrophobicContact CE2-CG2 4.31Å; Y86-T145 HydrophobicContact CD1-CG2 4.34Å; Y86-T145 HydrophobicContact CE1-CG2 3.85Å |
| 87 | V | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.6 | -178.6 | -66 | 0 | 0 | 0 | 0 | 111.5 | L81 S84 F106 V108 I118 L132 N133 | L81-V87 HydrophobicContact CD1-CG1 3.75Å; S84-V87 WeakPolarHBondContact OG-CG1 3.34Å; V87-F106 PolarHBondContact N-O 3.4Å; V87-F106 PolarHBondContact O-N 3.43Å; V87-V108 HydrophobicContact CB-CG2 4.24Å; V87-V108 HydrophobicContact CG1-CG2 3.57Å; V87-V108 HydrophobicContact CG2-CG2 3.72Å; V87-I118 HydrophobicContact CG2-CG2 3.63Å; V87-L132 HydrophobicContact CB-CD2 4.3Å; V87-L132 HydrophobicContact CG2-CD1 4.49Å; V87-L132 HydrophobicContact CG2-CD2 3.89Å; V87-N133 CarbonylContact C-O 3.58Å; V87-N133 WeakPolarHBondContact CA-O 3.42Å |
| 88 | F | 94.4 | Very high | 89.1 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 27% | 0.272 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 134.6 | 166.2 | -69.4 | -71.8 | 0 | 0 | 0 | 110.1 | Y102 E103 G104 L132 N133 A135 | F88-Y102 HydrophobicContact CB-CD1 4.15Å; F88-Y102 HydrophobicContact CB-CG 4.45Å; F88-E103 CarbonylContact C-O 3.56Å; F88-E103 WeakPolarHBondContact CA-O 3.44Å; F88-G104 VanDerWaalsContact CE1-C 3.49Å; F88-L132 WeakPolarHBondContact O-CA 3.26Å; F88-N133 HydrophobicContact CB-CB 4.36Å; F88-N133 PolarHBondContact N-O 3.47Å; F88-N133 PolarHBondContact O-N 2.77Å; F88-A135 HydrophobicContact CD2-CB 3.64Å; F88-A135 HydrophobicContact CE2-CB 3.42Å; F88-A135 VanDerWaalsContact CE2-CB 3.42Å; F88-A135 HydrophobicContact CG-CB 4.4Å; F88-A135 HydrophobicContact CZ-CB 4.03Å |
| 89 | L | 94.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.005 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.9 | 179.6 | 176.5 | 66.3 | 0 | 0 | 0 | 110.9 | Y102 E103 F106 I118 I120 V127 R131 L132 | L89-Y102 CarbonylContact O-C 3.56Å; L89-Y102 WeakPolarHBondContact O-CA 3.46Å; L89-E103 PolarHBondContact N-O 3.01Å; L89-E103 PolarHBondContact O-N 3.13Å; L89-F106 HydrophobicContact CB-CD2 3.9Å; L89-F106 HydrophobicContact CB-CE2 3.82Å; L89-F106 HydrophobicContact CD2-CE2 4.38Å; L89-I118 HydrophobicContact CD2-CD1 4.26Å; L89-I120 HydrophobicContact CD2-CD1 4.09Å; L89-V127 HydrophobicContact CD1-CB 4.36Å; L89-V127 HydrophobicContact CD1-CG1 3.42Å; L89-V127 VanDerWaalsContact CD1-CG1 3.42Å; L89-V127 HydrophobicContact CD1-CG2 4.05Å; L89-R131 HydrophobicContact CD1-CB 4.3Å; L89-L132 HydrophobicContact CD1-CD2 3.98Å |
| 90 | R | 93.9 | Very high | 89.3 | Confident | 83 Ų | 83 | 84.6 Ų | 84.6 | 31% | 0.313 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 133.2 | 174.8 | -164.2 | 174.2 | 70.2 | -135.2 | -4.1 | 112 | D92 Y102 D130 R131 | R90-D92 IonicContact CZ-OD1 3.02Å; R90-D92 IonicContact NE-OD1 3.01Å; R90-D92 PolarHBondContact NE-OD1 2.87Å; R90-D92 IonicContact NH2-OD1 3.81Å; R90-D92 PolarHBondContact NH2-OD1 3.44Å; R90-Y102 HydrophobicContact CB-CD1 3.96Å; R90-Y102 HydrophobicContact CB-CE1 3.68Å; R90-Y102 HydrophobicContact CG-CD1 4.47Å; R90-Y102 HydrophobicContact CG-CE1 4.08Å; R90-D130 PolarHBondContact NH1-O 2.88Å; R90-R131 WeakPolarHBondContact CB-O 3.21Å; R90-R131 PolarHBondContact N-O 2.9Å; R90-R131 PolarHBondContact O-NH2 3.19Å; R90-R131 VanDerWaalsContact O-NH2 3.16Å |
| 91 | R | 89.5 | Confident | 89.4 | Confident | 74 Ų | 74 | 82.5 Ų | 82.5 | 28% | 0.279 | 44% | 0.436 | S | S | . | . | trans | -87.4 | 108.4 | 168.9 | -75.5 | 175.9 | 159.8 | 159.2 | -6.5 | 109.7 | A93 P101 E103 | R91-A93 VanDerWaalsContact C-N 3.29Å; R91-P101 PolarHBondContact N-O 3Å; R91-E103 HydrophobicContact CG-CG 3.83Å; R91-E103 WeakPolarHBondContact CG-OE2 3.48Å; R91-E103 VanDerWaalsContact CZ-CG 3.41Å; R91-E103 IonicContact CZ-OE1 3.75Å; R91-E103 IonicContact CZ-OE2 3.17Å; R91-E103 IonicContact NE-OE1 3.35Å; R91-E103 PolarHBondContact NE-OE1 3.33Å; R91-E103 VanDerWaalsContact NE-OE1 3.11Å; R91-E103 IonicContact NE-OE2 3Å; R91-E103 PolarHBondContact NE-OE2 3.01Å; R91-E103 IonicContact NH1-OE1 3.01Å; R91-E103 VanDerWaalsContact NH2-CD 3.26Å; R91-E103 IonicContact NH2-OE1 2.7Å; R91-E103 PolarHBondContact NH2-OE1 3.1Å; R91-E103 IonicContact NH2-OE2 3.7Å | ||
| 92 | D | 86.9 | Confident | 89.5 | Confident | 87 Ų | 87 | 86.5 Ų | 86.5 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | trans | -87.3 | 2.9 | 176.7 | -51.5 | -66.3 | 0 | 0 | 0 | 113.4 | R90 R131 | R90-D92 IonicContact CZ-OD1 3.02Å; R90-D92 IonicContact NE-OD1 3.01Å; R90-D92 PolarHBondContact NE-OD1 2.87Å; R90-D92 IonicContact NH2-OD1 3.81Å; R90-D92 PolarHBondContact NH2-OD1 3.44Å; D92-R131 IonicContact OD2-CZ 3.04Å; D92-R131 IonicContact OD2-NE 3.89Å; D92-R131 PolarHBondContact OD2-NE 3.23Å; D92-R131 IonicContact OD2-NH2 2.76Å; D92-R131 PolarHBondContact OD2-NH2 3.05Å | ||
| 93 | A | 86.6 | Confident | 89.7 | Confident | 73 Ų | 73 | 81 Ų | 81 | 60% | 0.603 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -77 | 155 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R91 H95 | R91-A93 VanDerWaalsContact C-N 3.29Å; A93-H95 PolarHBondContact O-N 3.3Å; A93-H95 PolarHBondContact O-ND1 3.13Å |
| 94 | N | 85.7 | Confident | 89.8 | Confident | 168 Ų | 168 | 75.9 Ų | 75.9 | 90% | 0.898 | 41% | 0.406 | S | S | * | . | trans | -57.3 | 128.2 | 170.5 | -168.4 | 24.5 | 0 | 0 | 0 | 109.6 | ||||
| 95 | H | 82.4 | Confident | 89.9 | Confident | 77 Ų | 77 | 76.2 Ų | 76.2 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | trans | -133.1 | 154.3 | -173.6 | 54.3 | -81.9 | 0 | 0 | 0 | 109.9 | A93 Q99 | A93-H95 PolarHBondContact O-N 3.3Å; A93-H95 PolarHBondContact O-ND1 3.13Å; H95-Q99 HydrophobicContact CB-CB 4.09Å; H95-Q99 HydrophobicContact CB-CG 4.2Å | ||
| 96 | N | 86.3 | Confident | 89.9 | Confident | 127 Ų | 127 | 72.4 Ų | 72.4 | 68% | 0.679 | 38% | 0.383 | S | S | * | . | trans | -64.8 | 152.3 | 176.5 | -65.2 | -23.4 | 0 | 0 | 0 | 109.9 | I98 Q99 | N96-I98 PolarHBondContact O-N 3.37Å; N96-Q99 HydrophobicContact CB-CB 4.41Å; N96-Q99 WeakPolarHBondContact O-CB 3.48Å; N96-Q99 PolarHBondContact O-N 3.36Å | ||
| 97 | A | 88 | Confident | 90 | Very high | 111 Ų | 111 | 76.9 Ų | 76.9 | 92% | 0.917 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -23.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 98 | I | 88 | Confident | 90 | Very high | 168 Ų | 168 | 77.4 Ų | 77.4 | 86% | 0.862 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -0.7 | -176.9 | -48.6 | 174.5 | 0 | 0 | 0 | 111.8 | N96 | N96-I98 PolarHBondContact O-N 3.37Š|
| 99 | Q | 87.2 | Confident | 90 | Very high | 71 Ų | 71 | 78 Ų | 78 | 33% | 0.332 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -80.5 | 134.7 | -178.6 | -176.2 | 172 | -7 | 0 | 0 | 111.1 | H95 N96 | H95-Q99 HydrophobicContact CB-CB 4.09Å; H95-Q99 HydrophobicContact CB-CG 4.2Å; N96-Q99 HydrophobicContact CB-CB 4.41Å; N96-Q99 WeakPolarHBondContact O-CB 3.48Å; N96-Q99 PolarHBondContact O-N 3.36Å |
| 100 | K | 89.2 | Confident | 90 | Very high | 168 Ų | 168 | 83.7 Ų | 83.7 | 73% | 0.73 | 44% | 0.435 | S | S | * | . | trans | -60.4 | 129.1 | 177.5 | -64.4 | -176.3 | 179.8 | -174.7 | 0 | 110.8 | Y102 | K100-Y102 VanDerWaalsContact C-N 3.27Å; K100-Y102 PolarHBondContact O-N 2.94Å | ||
| 101 | P | 90.5 | Very high | 90 | Very high | 62 Ų | 62 | 83.4 Ų | 83.4 | 40% | 0.403 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -73.2 | -21.3 | -178.5 | 24.9 | -30.3 | 0 | 0 | 0 | 112.8 | R91 | R91-P101 PolarHBondContact N-O 3Š|
| 102 | Y | 92.6 | Very high | 90.1 | Very high | 87 Ų | 87 | 81.3 Ų | 81.3 | 34% | 0.341 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.8 | 177.3 | -66.2 | -92 | 0 | 0 | 0 | 111.6 | F88 L89 R90 K100 N133 | F88-Y102 HydrophobicContact CB-CD1 4.15Å; F88-Y102 HydrophobicContact CB-CG 4.45Å; L89-Y102 CarbonylContact O-C 3.56Å; L89-Y102 WeakPolarHBondContact O-CA 3.46Å; R90-Y102 HydrophobicContact CB-CD1 3.96Å; R90-Y102 HydrophobicContact CB-CE1 3.68Å; R90-Y102 HydrophobicContact CG-CD1 4.47Å; R90-Y102 HydrophobicContact CG-CE1 4.08Å; K100-Y102 VanDerWaalsContact C-N 3.27Å; K100-Y102 PolarHBondContact O-N 2.94Å; Y102-N133 HydrophobicContact CD1-CB 4.45Å; Y102-N133 HydrophobicContact CE1-CB 4.09Å |
| 103 | E | 91.1 | Very high | 90.1 | Very high | 19 Ų | 19 | 83.3 Ų | 83.3 | 9% | 0.089 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 148.6 | 168.4 | -66 | -175.2 | 107.9 | 0 | 0 | 109.7 | F88 L89 R91 F106 R148 | F88-E103 CarbonylContact C-O 3.56Å; F88-E103 WeakPolarHBondContact CA-O 3.44Å; L89-E103 PolarHBondContact N-O 3.01Å; L89-E103 PolarHBondContact O-N 3.13Å; R91-E103 HydrophobicContact CG-CG 3.83Å; R91-E103 WeakPolarHBondContact CG-OE2 3.48Å; R91-E103 VanDerWaalsContact CZ-CG 3.41Å; R91-E103 IonicContact CZ-OE1 3.75Å; R91-E103 IonicContact CZ-OE2 3.17Å; R91-E103 IonicContact NE-OE1 3.35Å; R91-E103 PolarHBondContact NE-OE1 3.33Å; R91-E103 VanDerWaalsContact NE-OE1 3.11Å; R91-E103 IonicContact NE-OE2 3Å; R91-E103 PolarHBondContact NE-OE2 3.01Å; R91-E103 IonicContact NH1-OE1 3.01Å; R91-E103 VanDerWaalsContact NH2-CD 3.26Å; R91-E103 IonicContact NH2-OE1 2.7Å; R91-E103 PolarHBondContact NH2-OE1 3.1Å; R91-E103 IonicContact NH2-OE2 3.7Å; E103-F106 HydrophobicContact CB-CE2 3.71Å; E103-F106 HydrophobicContact CB-CZ 3.98Å; E103-F106 WeakPolarHBondContact O-CE2 3.38Å; E103-R148 IonicContact OE1-NE 2.74Å; E103-R148 IonicContact OE2-CZ 2.68Å; E103-R148 IonicContact OE2-NE 2.95Å; E103-R148 PolarHBondContact OE2-NE 3.01Å; E103-R148 IonicContact OE2-NH2 3.54Å; E103-R148 PolarHBondContact OE2-NH2 3.36Å |
| 104 | G | 88.4 | Confident | 90.3 | Very high | 22 Ų | 22 | 83.6 Ų | 83.6 | 23% | 0.227 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.7 | -173.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F88 | F88-G104 VanDerWaalsContact CE1-C 3.49Å |
| 105 | P | 92.5 | Very high | 90.7 | Very high | 15 Ų | 15 | 78.6 Ų | 78.6 | 10% | 0.097 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -72.9 | 147.2 | 7 | 28 | -35.1 | 0 | 0 | 0 | 113.8 | Y86 A135 L137 I143 T145 A146 | Y86-P105 HydrophobicContact CD1-CB 4.23Å; Y86-P105 HydrophobicContact CG-CB 4.44Å; P105-A135 HydrophobicContact CB-CB 4.02Å; P105-L137 HydrophobicContact CB-CD1 3.79Å; P105-L137 HydrophobicContact CB-CD2 4.4Å; P105-L137 HydrophobicContact CG-CD1 3.77Å; P105-L137 HydrophobicContact CG-CD2 4.1Å; P105-I143 HydrophobicContact CG-CG2 4.33Å; P105-T145 CarbonylContact O-C 3.51Å; P105-T145 VanDerWaalsContact O-CA 3.22Å; P105-T145 WeakPolarHBondContact O-CA 3.49Å; P105-A146 PolarHBondContact O-N 3.46Å |
| 106 | F | 93.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 75 Ų | 75 | 0% | 0.004 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.4 | 168 | -63.4 | -73.6 | 0 | 0 | 0 | 109.7 | Y86 V87 L89 E103 I118 D119 I120 A146 R148 | Y86-F106 CarbonylContact C-O 3.59Å; Y86-F106 VanDerWaalsContact CA-O 3.22Å; Y86-F106 WeakPolarHBondContact CA-O 3.47Å; V87-F106 PolarHBondContact N-O 3.4Å; V87-F106 PolarHBondContact O-N 3.43Å; L89-F106 HydrophobicContact CB-CD2 3.9Å; L89-F106 HydrophobicContact CB-CE2 3.82Å; L89-F106 HydrophobicContact CD2-CE2 4.38Å; E103-F106 HydrophobicContact CB-CE2 3.71Å; E103-F106 HydrophobicContact CB-CZ 3.98Å; E103-F106 WeakPolarHBondContact O-CE2 3.38Å; F106-I118 HydrophobicContact CB-CB 4.37Å; F106-I118 HydrophobicContact CB-CD1 4.18Å; F106-I118 HydrophobicContact CD2-CD1 4.32Å; F106-I118 HydrophobicContact CG-CD1 4.31Å; F106-D119 WeakPolarHBondContact CD1-O 3.35Å; F106-I120 HydrophobicContact CD1-CG1 4.03Å; F106-I120 HydrophobicContact CE1-CB 4.49Å; F106-I120 HydrophobicContact CE1-CG1 4.17Å; F106-I120 HydrophobicContact CE1-CG2 4.2Å; F106-I120 HydrophobicContact CG-CG1 4.47Å; F106-A146 HydrophobicContact CE1-CB 3.94Å; F106-A146 WeakPolarHBondContact CE1-O 3.29Å; F106-A146 HydrophobicContact CE2-CB 4.45Å; F106-A146 HydrophobicContact CZ-CB 3.83Å; F106-R148 HydrophobicContact CE1-CG 3.93Å; F106-R148 HydrophobicContact CZ-CG 3.54Å |
| 107 | R | 93.6 | Very high | 91.8 | Very high | 138 Ų | 138 | 70.5 Ų | 70.5 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 132.4 | 178.4 | -175.9 | 178.6 | 179.2 | 177.3 | 1.9 | 109.9 | Y86 I118 D119 | Y86-R107 HydrophobicContact CD1-CB 4.15Å; Y86-R107 HydrophobicContact CE1-CB 3.8Å; Y86-R107 HydrophobicContact CE1-CG 4.21Å; R107-I118 CarbonylContact O-C 3.58Å; R107-I118 WeakPolarHBondContact O-CA 3.23Å; R107-D119 HydrophobicContact CB-CB 4.42Å; R107-D119 PolarHBondContact O-N 3.05Å |
| 108 | V | 94.5 | Very high | 92.1 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 129.9 | 170.3 | -175.7 | 0 | 0 | 0 | 0 | 109 | S84 P85 V87 H111 F116 I118 | S84-V108 WeakPolarHBondContact O-CG2 3.35Å; P85-V108 PolarHBondContact O-N 3.26Å; V87-V108 HydrophobicContact CB-CG2 4.24Å; V87-V108 HydrophobicContact CG1-CG2 3.57Å; V87-V108 HydrophobicContact CG2-CG2 3.72Å; V108-H111 WeakPolarHBondContact CG1-NE2 3.26Å; V108-F116 HydrophobicContact CG1-CD1 3.86Å; V108-F116 HydrophobicContact CG2-CD1 4.48Å; V108-I118 HydrophobicContact CG2-CG2 4.22Å |
| 109 | L | 94.5 | Very high | 92.4 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -36.9 | 176 | -60.5 | 178.8 | 0 | 0 | 0 | 111.4 | I117 D119 Q124 | L109-I117 HydrophobicContact CB-CG2 4.27Å; L109-I117 HydrophobicContact CD1-CG2 4.32Å; L109-I117 PolarHBondContact N-O 2.87Å; L109-D119 HydrophobicContact CD1-CB 4.08Å; L109-D119 HydrophobicContact CD2-CB 4.26Å; L109-D119 HydrophobicContact CG-CB 4.17Å; L109-Q124 HydrophobicContact CD1-CB 4.26Å; L109-Q124 HydrophobicContact CD1-CG 3.57Å |
| 110 | Q | 94.8 | Very high | 92.6 | Very high | 119 Ų | 119 | 57 Ų | 57 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146 | 132.4 | 178.5 | -172.6 | 176.8 | -14.5 | 0 | 0 | 110.9 | F116 I117 | Q110-F116 WeakPolarHBondContact O-CA 3.4Å; Q110-I117 HydrophobicContact CB-CB 3.99Å; Q110-I117 HydrophobicContact CB-CD1 4.06Å; Q110-I117 HydrophobicContact CB-CG1 4.1Å; Q110-I117 PolarHBondContact N-O 3.07Å; Q110-I117 PolarHBondContact O-N 3.13Å |
| 111 | H | 93.8 | Very high | 92.5 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | trans | -92.5 | 143.7 | 175.7 | -61.5 | -111.2 | 0 | 0 | 0 | 109.9 | K82 S84 V108 F116 | K82-H111 PolarHBondContact O-CE1 3.06Å; K82-H111 PolarHBondContact O-ND1 3.17Å; S84-H111 PolarHBondContact O-CE1 2.99Å; V108-H111 WeakPolarHBondContact CG1-NE2 3.26Å; H111-F116 HydrophobicContact CB-CD1 4.44Å; H111-F116 HydrophobicContact CB-CE1 4.06Å; H111-F116 HydrophobicContact CB-CZ 4.44Å; H111-F116 AromaticContact CG-CE1 3.89Å; H111-F116 AromaticContact ND1-CD1 3.99Å; H111-F116 AromaticContact ND1-CE1 3.32Å; H111-F116 VanDerWaalsContact ND1-CE1 3.32Å; H111-F116 WeakPolarHBondContact ND1-CE1 3.17Å | ||
| 112 | G | 90.9 | Very high | 92.4 | Very high | 30 Ų | 30 | 53.2 Ų | 53.2 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | trans | -146 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T115 F116 | G112-T115 WeakPolarHBondContact CA-O 3.28Å; G112-T115 PolarHBondContact N-O 3.09Å; G112-F116 WeakPolarHBondContact O-CE2 3.39Å | ||
| 113 | L | 88.9 | Confident | 92.4 | Very high | 129 Ų | 129 | 58.3 Ų | 58.3 | 68% | 0.675 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -78.8 | -32.9 | -175.6 | -63.5 | 177.9 | 0 | 0 | 0 | 113.3 | P75 V77 | P75-L113 HydrophobicContact CG-CB 3.9Å; V77-L113 WeakPolarHBondContact CG2-O 3.42Å |
| 114 | T | 90.1 | Very high | 92.6 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -125.8 | -20.4 | 179.6 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | P75 S128 V129 | P75-T114 HydrophobicContact CB-CG2 3.33Å; P75-T114 HydrophobicContact CG-CG2 3.87Å; T114-S128 CarbonylContact O-C 3.48Å; T114-S128 WeakPolarHBondContact O-CA 3.42Å; T114-V129 WeakPolarHBondContact O-CG2 3.23Å; T114-V129 PolarHBondContact O-N 3.33Å |
| 115 | T | 93.7 | Very high | 92.8 | Very high | 63 Ų | 63 | 66.6 Ų | 66.6 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145.1 | -174.6 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | G112 T126 V127 | G112-T115 WeakPolarHBondContact CA-O 3.28Å; G112-T115 PolarHBondContact N-O 3.09Å; T115-T126 HydrophobicContact CG2-CG2 4.33Å; T115-V127 CarbonylContact C-O 3.57Å; T115-V127 WeakPolarHBondContact CA-O 3.36Å |
| 116 | F | 94.5 | Very high | 93 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 0% | 0.004 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.3 | 177.4 | -76.5 | -123 | 0 | 0 | 0 | 108.6 | V77 L81 V108 Q110 H111 G112 T126 V127 V129 L132 | V77-F116 HydrophobicContact CG1-CE2 4.2Å; V77-F116 HydrophobicContact CG1-CZ 4.02Å; L81-F116 HydrophobicContact CD2-CD2 4.37Å; L81-F116 HydrophobicContact CD2-CE1 4.11Å; L81-F116 HydrophobicContact CD2-CE2 3.82Å; L81-F116 HydrophobicContact CD2-CZ 3.66Å; L81-F116 HydrophobicContact CG-CE1 4.01Å; L81-F116 HydrophobicContact CG-CZ 3.9Å; L81-F116 WeakPolarHBondContact O-CE1 3.41Å; V108-F116 HydrophobicContact CG1-CD1 3.86Å; V108-F116 HydrophobicContact CG2-CD1 4.48Å; Q110-F116 WeakPolarHBondContact O-CA 3.4Å; H111-F116 HydrophobicContact CB-CD1 4.44Å; H111-F116 HydrophobicContact CB-CE1 4.06Å; H111-F116 HydrophobicContact CB-CZ 4.44Å; H111-F116 AromaticContact CG-CE1 3.89Å; H111-F116 AromaticContact ND1-CD1 3.99Å; H111-F116 AromaticContact ND1-CE1 3.32Å; H111-F116 VanDerWaalsContact ND1-CE1 3.32Å; H111-F116 WeakPolarHBondContact ND1-CE1 3.17Å; G112-F116 WeakPolarHBondContact O-CE2 3.39Å; F116-T126 WeakPolarHBondContact O-CA 3.49Å; F116-V127 PolarHBondContact N-O 3.16Å; F116-V127 PolarHBondContact O-N 2.85Å; F116-V129 HydrophobicContact CD2-CG2 3.57Å; F116-V129 HydrophobicContact CE2-CG2 3.36Å; F116-L132 HydrophobicContact CB-CD1 3.58Å; F116-L132 HydrophobicContact CD1-CD1 4.31Å; F116-L132 HydrophobicContact CD2-CD1 4.16Å; F116-L132 HydrophobicContact CG-CD1 3.77Å |
| 117 | I | 96.5 | Very high | 93 | Very high | 33 Ų | 33 | 70.1 Ų | 70.1 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 123.1 | 172 | -55.1 | -178 | 0 | 0 | 0 | 107.8 | L109 Q110 Q124 D125 | L109-I117 HydrophobicContact CB-CG2 4.27Å; L109-I117 HydrophobicContact CD1-CG2 4.32Å; L109-I117 PolarHBondContact N-O 2.87Å; Q110-I117 HydrophobicContact CB-CB 3.99Å; Q110-I117 HydrophobicContact CB-CD1 4.06Å; Q110-I117 HydrophobicContact CB-CG1 4.1Å; Q110-I117 PolarHBondContact N-O 3.07Å; Q110-I117 PolarHBondContact O-N 3.13Å; I117-Q124 HydrophobicContact CG2-CB 3.86Å; I117-D125 WeakPolarHBondContact CA-O 3.18Å |
| 118 | I | 95 | Very high | 93 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.1 | -179.2 | 60.7 | 169.2 | 0 | 0 | 0 | 111.4 | V87 L89 F106 R107 V108 I120 D125 V127 | V87-I118 HydrophobicContact CG2-CG2 3.63Å; L89-I118 HydrophobicContact CD2-CD1 4.26Å; F106-I118 HydrophobicContact CB-CB 4.37Å; F106-I118 HydrophobicContact CB-CD1 4.18Å; F106-I118 HydrophobicContact CD2-CD1 4.32Å; F106-I118 HydrophobicContact CG-CD1 4.31Å; R107-I118 CarbonylContact O-C 3.58Å; R107-I118 WeakPolarHBondContact O-CA 3.23Å; V108-I118 HydrophobicContact CG2-CG2 4.22Å; I118-I120 HydrophobicContact CD1-CD1 3.84Å; I118-I120 HydrophobicContact CD1-CG1 3.92Å; I118-I120 HydrophobicContact CG1-CD1 4.14Å; I118-I120 HydrophobicContact CG1-CG1 4Å; I118-D125 PolarHBondContact N-O 3.35Å; I118-D125 PolarHBondContact O-N 2.96Å; I118-V127 HydrophobicContact CD1-CG2 3.75Å; I118-V127 HydrophobicContact CG1-CG2 3.87Å |
| 119 | D | 94.4 | Very high | 92.9 | Very high | 54 Ų | 54 | 65.5 Ų | 65.5 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.4 | 173.5 | -176.6 | 4.6 | 0 | 0 | 0 | 110.7 | F106 R107 L109 G122 R123 | F106-D119 WeakPolarHBondContact CD1-O 3.35Å; R107-D119 HydrophobicContact CB-CB 4.42Å; R107-D119 PolarHBondContact O-N 3.05Å; L109-D119 HydrophobicContact CD1-CB 4.08Å; L109-D119 HydrophobicContact CD2-CB 4.26Å; L109-D119 HydrophobicContact CG-CB 4.17Å; D119-G122 WeakPolarHBondContact OD1-CA 3.41Å; D119-G122 PolarHBondContact OD1-N 3.46Å; D119-R123 PolarHBondContact OD1-N 2.88Å |
| 120 | I | 91.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 107.2 | 174 | -57.1 | -179.8 | 0 | 0 | 0 | 108.4 | L89 F106 I118 G122 R123 D125 R148 | L89-I120 HydrophobicContact CD2-CD1 4.09Å; F106-I120 HydrophobicContact CD1-CG1 4.03Å; F106-I120 HydrophobicContact CE1-CB 4.49Å; F106-I120 HydrophobicContact CE1-CG1 4.17Å; F106-I120 HydrophobicContact CE1-CG2 4.2Å; F106-I120 HydrophobicContact CG-CG1 4.47Å; I118-I120 HydrophobicContact CD1-CD1 3.84Å; I118-I120 HydrophobicContact CD1-CG1 3.92Å; I118-I120 HydrophobicContact CG1-CD1 4.14Å; I118-I120 HydrophobicContact CG1-CG1 4Å; I120-G122 VanDerWaalsContact C-N 3.27Å; I120-G122 PolarHBondContact O-N 3.02Å; I120-R123 PolarHBondContact N-O 3.28Å; I120-R123 WeakPolarHBondContact O-CB 3.38Å; I120-R123 PolarHBondContact O-N 3.17Å; I120-D125 HydrophobicContact CD1-CB 3.71Å; I120-D125 WeakPolarHBondContact CD1-OD2 3.18Å; I120-D125 HydrophobicContact CG1-CB 4.27Å; I120-R148 HydrophobicContact CG2-CB 3.9Å; I120-R148 VanDerWaalsContact CG2-CD 3.42Å; I120-R148 HydrophobicContact CG2-CG 3.68Å |
| 121 | N | 88 | Confident | 92.7 | Very high | 81 Ų | 81 | 65.5 Ų | 65.5 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 34.9 | 179.4 | -54 | -48.6 | 0 | 0 | 0 | 114.5 | R123 R147 R148 | N121-R123 VanDerWaalsContact C-N 3.32Å; N121-R147 WeakPolarHBondContact OD1-CA 3.37Å; N121-R147 WeakPolarHBondContact OD1-CB 3.44Å; N121-R148 PolarHBondContact ND2-N 3.36Å; N121-R148 PolarHBondContact ND2-O 2.88Å; N121-R148 PolarHBondContact OD1-N 3.47Å; N121-R148 VanDerWaalsContact OD1-N 3.13Å |
| 122 | G | 88.1 | Confident | 92.7 | Very high | 68 Ų | 68 | 62.7 Ų | 62.7 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 8.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D119 I120 | D119-G122 WeakPolarHBondContact OD1-CA 3.41Å; D119-G122 PolarHBondContact OD1-N 3.46Å; I120-G122 VanDerWaalsContact C-N 3.27Å; I120-G122 PolarHBondContact O-N 3.02Å |
| 123 | R | 91.6 | Very high | 92.8 | Very high | 194 Ų | 194 | 64.9 Ų | 64.9 | 73% | 0.732 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139 | 173.7 | -64.7 | -175.1 | 179.7 | -175.6 | -2 | 109.6 | D119 I120 N121 | D119-R123 PolarHBondContact OD1-N 2.88Å; I120-R123 PolarHBondContact N-O 3.28Å; I120-R123 WeakPolarHBondContact O-CB 3.38Å; I120-R123 PolarHBondContact O-N 3.17Å; N121-R123 VanDerWaalsContact C-N 3.32Å |
| 124 | Q | 94.8 | Very high | 93 | Very high | 146 Ų | 146 | 59.4 Ų | 59.4 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.8 | 172.8 | -51.5 | -168.8 | -1 | 0 | 0 | 109.1 | L109 I117 | L109-Q124 HydrophobicContact CD1-CB 4.26Å; L109-Q124 HydrophobicContact CD1-CG 3.57Å; I117-Q124 HydrophobicContact CG2-CB 3.86Å |
| 125 | D | 94.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 56 Ų | 56 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.7 | 176.1 | -160.9 | 5 | 0 | 0 | 0 | 109.9 | I117 I118 I120 | I117-D125 WeakPolarHBondContact CA-O 3.18Å; I118-D125 PolarHBondContact N-O 3.35Å; I118-D125 PolarHBondContact O-N 2.96Å; I120-D125 HydrophobicContact CD1-CB 3.71Å; I120-D125 WeakPolarHBondContact CD1-OD2 3.18Å; I120-D125 HydrophobicContact CG1-CB 4.27Å |
| 126 | T | 95.9 | Very high | 92.8 | Very high | 88 Ų | 88 | 60.1 Ų | 60.1 | 54% | 0.54 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.5 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | T115 F116 | T115-T126 HydrophobicContact CG2-CG2 4.33Å; F116-T126 WeakPolarHBondContact O-CA 3.49Å |
| 127 | V | 94.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.1 | -173.5 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | L89 T115 F116 I118 R131 L132 | L89-V127 HydrophobicContact CD1-CB 4.36Å; L89-V127 HydrophobicContact CD1-CG1 3.42Å; L89-V127 VanDerWaalsContact CD1-CG1 3.42Å; L89-V127 HydrophobicContact CD1-CG2 4.05Å; T115-V127 CarbonylContact C-O 3.57Å; T115-V127 WeakPolarHBondContact CA-O 3.36Å; F116-V127 PolarHBondContact N-O 3.16Å; F116-V127 PolarHBondContact O-N 2.85Å; I118-V127 HydrophobicContact CD1-CG2 3.75Å; I118-V127 HydrophobicContact CG1-CG2 3.87Å; V127-R131 HydrophobicContact CG1-CB 3.82Å; V127-L132 HydrophobicContact CB-CD2 4.31Å; V127-L132 HydrophobicContact CG1-CD1 4.46Å; V127-L132 HydrophobicContact CG1-CD2 3.8Å; V127-L132 HydrophobicContact CG1-CG 4Å |
| 128 | S | 93.6 | Very high | 91.4 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 147.6 | 172 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | T114 D130 R131 | T114-S128 CarbonylContact O-C 3.48Å; T114-S128 WeakPolarHBondContact O-CA 3.42Å; S128-D130 PolarHBondContact O-N 3.46Å; S128-R131 PolarHBondContact O-N 3.45Å; S128-R131 VanDerWaalsContact O-N 3.09Å; S128-R131 WeakPolarHBondContact OG-CG 3.38Å |
| 129 | V | 92.7 | Very high | 90.3 | Very high | 11 Ų | 11 | 74 Ų | 74 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -52.4 | -39.8 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | V77 L81 T114 F116 R131 L132 | V77-V129 HydrophobicContact CG2-CG2 4.18Å; L81-V129 HydrophobicContact CD2-CB 4.47Å; L81-V129 HydrophobicContact CD2-CG1 3.87Å; L81-V129 HydrophobicContact CD2-CG2 4.32Å; T114-V129 WeakPolarHBondContact O-CG2 3.23Å; T114-V129 PolarHBondContact O-N 3.33Å; F116-V129 HydrophobicContact CD2-CG2 3.57Å; F116-V129 HydrophobicContact CE2-CG2 3.36Å; V129-R131 PolarHBondContact O-N 2.98Å; V129-L132 PolarHBondContact O-N 3.15Å |
| 130 | D | 91.1 | Very high | 89.3 | Confident | 126 Ų | 126 | 79.1 Ų | 79.1 | 67% | 0.674 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -61.9 | -13.7 | -177.8 | -55.4 | -39.4 | 0 | 0 | 0 | 114.6 | R90 S128 | R90-D130 PolarHBondContact NH1-O 2.88Å; S128-D130 PolarHBondContact O-N 3.46Å |
| 131 | R | 93.6 | Very high | 88.3 | Confident | 68 Ų | 68 | 84.6 Ų | 84.6 | 26% | 0.257 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -103.1 | -0.9 | 179 | -60.1 | 179 | 71.5 | -150.7 | -6.3 | 112.7 | L89 R90 D92 V127 S128 V129 | L89-R131 HydrophobicContact CD1-CB 4.3Å; R90-R131 WeakPolarHBondContact CB-O 3.21Å; R90-R131 PolarHBondContact N-O 2.9Å; R90-R131 PolarHBondContact O-NH2 3.19Å; R90-R131 VanDerWaalsContact O-NH2 3.16Å; D92-R131 IonicContact OD2-CZ 3.04Å; D92-R131 IonicContact OD2-NE 3.89Å; D92-R131 PolarHBondContact OD2-NE 3.23Å; D92-R131 IonicContact OD2-NH2 2.76Å; D92-R131 PolarHBondContact OD2-NH2 3.05Å; V127-R131 HydrophobicContact CG1-CB 3.82Å; S128-R131 PolarHBondContact O-N 3.45Å; S128-R131 VanDerWaalsContact O-N 3.09Å; S128-R131 WeakPolarHBondContact OG-CG 3.38Å; V129-R131 PolarHBondContact O-N 2.98Å |
| 132 | L | 94 | Very high | 87.5 | Confident | 18 Ų | 18 | 86.2 Ų | 86.2 | 9% | 0.094 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 149.1 | -174.9 | -60.8 | 178.4 | 0 | 0 | 0 | 111.4 | L81 V87 F88 L89 F116 V127 V129 | L81-L132 HydrophobicContact CD1-CB 3.97Å; L81-L132 HydrophobicContact CD2-CB 4.12Å; V87-L132 HydrophobicContact CB-CD2 4.3Å; V87-L132 HydrophobicContact CG2-CD1 4.49Å; V87-L132 HydrophobicContact CG2-CD2 3.89Å; F88-L132 WeakPolarHBondContact O-CA 3.26Å; L89-L132 HydrophobicContact CD1-CD2 3.98Å; F116-L132 HydrophobicContact CB-CD1 3.58Å; F116-L132 HydrophobicContact CD1-CD1 4.31Å; F116-L132 HydrophobicContact CD2-CD1 4.16Å; F116-L132 HydrophobicContact CG-CD1 3.77Å; V127-L132 HydrophobicContact CB-CD2 4.31Å; V127-L132 HydrophobicContact CG1-CD1 4.46Å; V127-L132 HydrophobicContact CG1-CD2 3.8Å; V127-L132 HydrophobicContact CG1-CG 4Å; V129-L132 PolarHBondContact O-N 3.15Å |
| 133 | N | 92.5 | Very high | 86.8 | Confident | 76 Ų | 76 | 86.1 Ų | 86.1 | 41% | 0.406 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134.7 | 169.4 | -166.8 | 17.8 | 0 | 0 | 0 | 106.9 | V87 F88 Y102 | V87-N133 CarbonylContact C-O 3.58Å; V87-N133 WeakPolarHBondContact CA-O 3.42Å; F88-N133 HydrophobicContact CB-CB 4.36Å; F88-N133 PolarHBondContact N-O 3.47Å; F88-N133 PolarHBondContact O-N 2.77Å; Y102-N133 HydrophobicContact CD1-CB 4.45Å; Y102-N133 HydrophobicContact CE1-CB 4.09Å |
| 134 | P | 93.3 | Very high | 85.9 | Confident | 15 Ų | 15 | 87.2 Ų | 87.2 | 10% | 0.097 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 142.1 | 175.4 | 23.7 | -37.4 | 0 | 0 | 0 | 111.6 | D80 L81 | D80-P134 HydrophobicContact CB-CB 4.3Å; D80-P134 HydrophobicContact CB-CG 3.91Å; L81-P134 HydrophobicContact CD1-CB 4.37Å |
| 135 | A | 91.6 | Very high | 85 | Confident | 8 Ų | 8 | 83.8 Ų | 83.8 | 7% | 0.066 | 43% | 0.433 | C | S | . | . | trans | -101.4 | 107.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y86 F88 P105 L137 | Y86-A135 WeakPolarHBondContact O-CB 3.33Å; Y86-A135 PolarHBondContact O-N 3.44Å; F88-A135 HydrophobicContact CD2-CB 3.64Å; F88-A135 HydrophobicContact CE2-CB 3.42Å; F88-A135 VanDerWaalsContact CE2-CB 3.42Å; F88-A135 HydrophobicContact CG-CB 4.4Å; F88-A135 HydrophobicContact CZ-CB 4.03Å; P105-A135 HydrophobicContact CB-CB 4.02Å; A135-L137 HydrophobicContact CB-CD1 4.5Å; A135-L137 HydrophobicContact CB-CD2 4.42Å; A135-L137 HydrophobicContact CB-CG 4.19Å; A135-L137 PolarHBondContact O-N 3.23Å | ||
| 136 | H | 87.2 | Confident | 84.2 | Confident | 150 Ų | 150 | 81.7 Ų | 81.7 | 69% | 0.694 | 43% | 0.425 | S | S | * | . | trans | -79.7 | 104.6 | 170.5 | -49 | 128.7 | 0 | 0 | 0 | 108.1 | ||||
| 137 | L | 83.5 | Confident | 83.3 | Confident | 57 Ų | 57 | 88 Ų | 88 | 30% | 0.298 | 44% | 0.439 | S | S | . | . | trans | -116.1 | 139.8 | -179.1 | -57.2 | 175.1 | 0 | 0 | 0 | 109.1 | Y86 P105 A135 I139 I143 | Y86-L137 HydrophobicContact CD1-CD1 4.28Å; Y86-L137 HydrophobicContact CD2-CD1 3.85Å; Y86-L137 HydrophobicContact CG-CD1 3.7Å; P105-L137 HydrophobicContact CB-CD1 3.79Å; P105-L137 HydrophobicContact CB-CD2 4.4Å; P105-L137 HydrophobicContact CG-CD1 3.77Å; P105-L137 HydrophobicContact CG-CD2 4.1Å; A135-L137 HydrophobicContact CB-CD1 4.5Å; A135-L137 HydrophobicContact CB-CD2 4.42Å; A135-L137 HydrophobicContact CB-CG 4.19Å; A135-L137 PolarHBondContact O-N 3.23Å; L137-I139 PolarHBondContact O-N 3.02Å; L137-I143 HydrophobicContact CD1-CD1 4.43Å; L137-I143 HydrophobicContact CD1-CG1 4.13Å; L137-I143 HydrophobicContact CD1-CG2 3.71Å | ||
| 138 | D | 79 | Confident | 82.2 | Confident | 112 Ų | 112 | 91.3 Ų | 91.3 | 60% | 0.599 | 45% | 0.451 | S | S | * | . | trans | -70.2 | 121.7 | 169.9 | -69.7 | -25.8 | 0 | 0 | 0 | 109.3 | D140 Q141 | D138-D140 PolarHBondContact O-N 2.7Å; D138-Q141 PolarHBondContact O-N 2.74Å | ||
| 139 | I | 71.6 | Confident | 80.8 | Confident | 157 Ų | 157 | 101 Ų | 101 | 81% | 0.805 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.4 | -176.9 | -58.8 | 169.1 | 0 | 0 | 0 | 111.2 | L137 Q141 | L137-I139 PolarHBondContact O-N 3.02Å; I139-Q141 VanDerWaalsContact C-N 3.26Å; I139-Q141 PolarHBondContact O-N 3.5Å |
| 140 | D | 73 | Confident | 79.3 | Confident | 161 Ų | 161 | 102.8 Ų | 102.8 | 86% | 0.861 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -9.4 | -177.3 | -59.6 | -29.6 | 0 | 0 | 0 | 113.8 | D138 | D138-D140 PolarHBondContact O-N 2.7Š|
| 141 | Q | 71.6 | Confident | 77.6 | Confident | 128 Ų | 128 | 103.6 Ų | 103.6 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -104.8 | 143.3 | 178.5 | -67.1 | -174.3 | 37.1 | 0 | 0 | 111.6 | D138 I139 I143 | D138-Q141 PolarHBondContact O-N 2.74Å; I139-Q141 VanDerWaalsContact C-N 3.26Å; I139-Q141 PolarHBondContact O-N 3.5Å; Q141-I143 PolarHBondContact O-N 3.4Å |
| 142 | P | 70.8 | Confident | 75.8 | Confident | 115 Ų | 115 | 103.3 Ų | 103.3 | 75% | 0.747 | 53% | 0.533 | S | S | * | . | trans | -63 | 110.2 | 176.7 | 25.8 | -33.3 | 0 | 0 | 0 | 110.1 | R144 | P142-R144 PolarHBondContact O-N 2.91Å; P142-R144 VanDerWaalsContact O-N 3.1Å | ||
| 143 | I | 72.5 | Confident | 73.9 | Confident | 65 Ų | 65 | 113.3 Ų | 113.3 | 33% | 0.333 | 57% | 0.569 | S | S | . | * | trans | -65.1 | 111.9 | -177.7 | -62.6 | 160.9 | 0 | 0 | 0 | 109.5 | Y86 P105 L137 Q141 T145 | Y86-I143 HydrophobicContact CD1-CG2 4.07Å; Y86-I143 HydrophobicContact CD2-CD1 4.22Å; Y86-I143 HydrophobicContact CE1-CG2 3.64Å; Y86-I143 HydrophobicContact CE2-CD1 3.48Å; Y86-I143 VanDerWaalsContact CE2-CD1 3.48Å; Y86-I143 HydrophobicContact CE2-CG2 4.31Å; P105-I143 HydrophobicContact CG-CG2 4.33Å; L137-I143 HydrophobicContact CD1-CD1 4.43Å; L137-I143 HydrophobicContact CD1-CG1 4.13Å; L137-I143 HydrophobicContact CD1-CG2 3.71Å; Q141-I143 PolarHBondContact O-N 3.4Å; I143-T145 HydrophobicContact CG2-CG2 4.39Å; I143-T145 PolarHBondContact O-N 3.12Å | ||
| 144 | R | 73.3 | Confident | 72.3 | Confident | 217 Ų | 217 | 114.6 Ų | 114.6 | 82% | 0.819 | 58% | 0.582 | S | S | * | * | trans | -90.6 | 99.5 | 173.2 | -69.8 | -172.9 | 172.1 | -166 | -1.4 | 109.3 | P142 | P142-R144 PolarHBondContact O-N 2.91Å; P142-R144 VanDerWaalsContact O-N 3.1Å | ||
| 145 | T | 76.8 | Confident | 70.6 | Confident | 74 Ų | 74 | 119.7 Ų | 119.7 | 45% | 0.454 | 62% | 0.615 | S | S | . | * | trans | -66.5 | 139.9 | 172.7 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | Y86 P105 I143 | Y86-T145 HydrophobicContact CD1-CG2 4.34Å; Y86-T145 HydrophobicContact CE1-CG2 3.85Å; P105-T145 CarbonylContact O-C 3.51Å; P105-T145 VanDerWaalsContact O-CA 3.22Å; P105-T145 WeakPolarHBondContact O-CA 3.49Å; I143-T145 HydrophobicContact CG2-CG2 4.39Å; I143-T145 PolarHBondContact O-N 3.12Å | ||
| 146 | A | 76.6 | Confident | 69.1 | Low | 26 Ų | 26 | 127.7 Ų | 127.7 | 22% | 0.215 | 65% | 0.648 | C | S | . | * | trans | -67.4 | 137.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | P105 F106 | P105-A146 PolarHBondContact O-N 3.46Å; F106-A146 HydrophobicContact CE1-CB 3.94Å; F106-A146 WeakPolarHBondContact CE1-O 3.29Å; F106-A146 HydrophobicContact CE2-CB 4.45Å; F106-A146 HydrophobicContact CZ-CB 3.83Å | ||
| 147 | R | 76.1 | Confident | 67.8 | Low | 220 Ų | 220 | 126.2 Ų | 126.2 | 83% | 0.83 | 65% | 0.652 | S | S | * | * | trans | -96.4 | 113.5 | 167.6 | -68.6 | -174.1 | 177.2 | -166.7 | -1.5 | 109.3 | N121 R149 | N121-R147 WeakPolarHBondContact OD1-CA 3.37Å; N121-R147 WeakPolarHBondContact OD1-CB 3.44Å; R147-R149 PolarHBondContact O-N 2.96Å | ||
| 148 | R | 71.5 | Confident | 66.2 | Low | 72 Ų | 72 | 134.8 Ų | 134.8 | 27% | 0.272 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 132.3 | 169.9 | -65.4 | -172.9 | 92.5 | -162.9 | 5.4 | 107.7 | E103 F106 I120 N121 G150 | E103-R148 IonicContact OE1-NE 2.74Å; E103-R148 IonicContact OE2-CZ 2.68Å; E103-R148 IonicContact OE2-NE 2.95Å; E103-R148 PolarHBondContact OE2-NE 3.01Å; E103-R148 IonicContact OE2-NH2 3.54Å; E103-R148 PolarHBondContact OE2-NH2 3.36Å; F106-R148 HydrophobicContact CE1-CG 3.93Å; F106-R148 HydrophobicContact CZ-CG 3.54Å; I120-R148 HydrophobicContact CG2-CB 3.9Å; I120-R148 VanDerWaalsContact CG2-CD 3.42Å; I120-R148 HydrophobicContact CG2-CG 3.68Å; N121-R148 PolarHBondContact ND2-N 3.36Å; N121-R148 PolarHBondContact ND2-O 2.88Å; N121-R148 PolarHBondContact OD1-N 3.47Å; N121-R148 VanDerWaalsContact OD1-N 3.13Å; R148-G150 PolarHBondContact O-N 3.36Å; R148-G150 VanDerWaalsContact O-N 3.1Å |
| 149 | R | 64.8 | Low | 65 | Low | 244 Ų | 244 | 134.7 Ų | 134.7 | 92% | 0.921 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -61 | 121.2 | 168.1 | -67.7 | -175.8 | -178.9 | -179.4 | 0.5 | 106.5 | R147 | R147-R149 PolarHBondContact O-N 2.96Š|
| 150 | G | 61.2 | Low | 64.1 | Low | 50 Ų | 50 | 138.6 Ų | 138.6 | 52% | 0.515 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 152.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R148 G152 | R148-G150 PolarHBondContact O-N 3.36Å; R148-G150 VanDerWaalsContact O-N 3.1Å; G150-G152 PolarHBondContact O-N 2.94Å |
| 151 | P | 54.2 | Low | 63.3 | Low | 142 Ų | 142 | 138.7 Ų | 138.7 | 92% | 0.922 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -57.8 | 109.9 | 174 | 20.3 | -27 | 0 | 0 | 0 | 108.5 | ||
| 152 | G | 57.2 | Low | 62.3 | Low | 62 Ų | 62 | 137.4 Ų | 137.4 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | trans | -167.8 | 140.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | G150 | G150-G152 PolarHBondContact O-N 2.94Š| ||
| 153 | R | 52.9 | Low | 61.4 | Low | 228 Ų | 228 | 137.9 Ų | 137.9 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 130.7 | 172.8 | -170.5 | 176.5 | -172.8 | 167.5 | 4.6 | 107.9 | ||
| 154 | P | 60.7 | Low | 60.3 | Low | 103 Ų | 103 | 139.2 Ų | 139.2 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 136.2 | 173.2 | 21.7 | -31.5 | 0 | 0 | 0 | 108.5 | K156 | P154-K156 PolarHBondContact O-N 3.09Å; P154-K156 VanDerWaalsContact O-N 3.15Å |
| 155 | P | 57.5 | Low | 59.2 | Low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 126.2 | -179.9 | 20.4 | -29.1 | 0 | 0 | 0 | 108.6 | ||
| 156 | K | 60.1 | Low | 57.7 | Low | 176 Ų | 176 | 135.6 Ų | 135.6 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128.2 | 175.2 | -152.4 | 177.7 | -173 | -175.6 | 0 | 106.7 | P154 R158 | P154-K156 PolarHBondContact O-N 3.09Å; P154-K156 VanDerWaalsContact O-N 3.15Å; K156-R158 PolarHBondContact O-N 2.89Å |
| 157 | P | 58.3 | Low | 56.2 | Low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -57.9 | 114 | 178.8 | 20.5 | -29.4 | 0 | 0 | 0 | 108.2 | T159 | P157-T159 PolarHBondContact O-N 3.44Å; P157-T159 VanDerWaalsContact O-N 3.09Å | ||
| 158 | R | 51 | Low | 54.8 | Low | 238 Ų | 238 | 137.1 Ų | 137.1 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -72 | 101.4 | 170.6 | -71 | 179.4 | 85.8 | 171.7 | 5.2 | 106.1 | K156 R160 | K156-R158 PolarHBondContact O-N 2.89Å; R158-R160 PolarHBondContact O-N 3.39Å | ||
| 159 | T | 54.5 | Low | 53.6 | Low | 110 Ų | 110 | 142 Ų | 142 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | trans | -57 | 107.9 | 158.6 | 22 | 0 | 0 | 0 | 0 | 106.8 | P157 H161 | P157-T159 PolarHBondContact O-N 3.44Å; P157-T159 VanDerWaalsContact O-N 3.09Å; T159-H161 PolarHBondContact O-N 3.42Å | ||
| 160 | R | 51.2 | Low | 53.2 | Low | 238 Ų | 238 | 137.8 Ų | 137.8 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -67.4 | 92.7 | 164 | -74 | -175.1 | -175.9 | -169.4 | 1.2 | 106.1 | R158 S162 | R158-R160 PolarHBondContact O-N 3.39Å; R160-S162 VanDerWaalsContact C-N 3.27Å; R160-S162 PolarHBondContact O-N 3.5Å | ||
| 161 | H | 56.1 | Low | 53 | Low | 163 Ų | 163 | 141.2 Ų | 141.2 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 94.5 | 160.6 | -71.6 | -85.1 | 0 | 0 | 0 | 106.4 | T159 | T159-H161 PolarHBondContact O-N 3.42Š| ||
| 162 | S | 51.6 | Low | 53.3 | Low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -62.6 | 134.6 | 159.4 | -69.8 | 0 | 0 | 0 | 0 | 107.5 | R160 A164 | R160-S162 VanDerWaalsContact C-N 3.27Å; R160-S162 PolarHBondContact O-N 3.5Å; S162-A164 PolarHBondContact O-N 3.33Å; S162-A164 VanDerWaalsContact O-N 3.09Å | ||
| 163 | P | 51.3 | Low | 54.1 | Low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -67.9 | 111.9 | 174.3 | 26.3 | -26.7 | 0 | 0 | 0 | 107.5 | ||||
| 164 | A | 50.5 | Low | 55.3 | Low | 92 Ų | 92 | 139.6 Ų | 139.6 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 134.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109 | S162 | S162-A164 PolarHBondContact O-N 3.33Å; S162-A164 VanDerWaalsContact O-N 3.09Å |
| 165 | P | 49.4 | Very low | 56.4 | Low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 151.2 | 174 | 30.3 | -32.1 | 0 | 0 | 0 | 110 | ||
| 166 | A | 44.7 | Very low | 57.5 | Low | 90 Ų | 90 | 137.5 Ų | 137.5 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -61.3 | 150.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 167 | T | 44.9 | Very low | 57.8 | Low | 134 Ų | 134 | 136.2 Ų | 136.2 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | 84.3 | 92.5 | 157.1 | -17.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 168 | N | 48 | Very low | 58.8 | Low | 145 Ų | 145 | 135.5 Ų | 135.5 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | -169.6 | 125.4 | 113.1 | -133.9 | -25.1 | 0 | 0 | 0 | 109.7 | Q170 | N168-Q170 PolarHBondContact O-N 2.85Š| |||
| 169 | I | 46.1 | Very low | 60.3 | Low | 173 Ų | 173 | 126.7 Ų | 126.7 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -75.6 | 97.2 | 179.1 | -61 | 167 | 0 | 0 | 0 | 107.3 | ||||
| 170 | Q | 55.2 | Low | 61.3 | Low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | -111.2 | 140.4 | 161.2 | -77.9 | -167.6 | -5.7 | 0 | 0 | 109.3 | N168 T172 | N168-Q170 PolarHBondContact O-N 2.85Å; Q170-T172 PolarHBondContact O-N 3.33Å | ||
| 171 | P | 57.9 | Low | 62.9 | Low | 122 Ų | 122 | 123 Ų | 123 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | -61.2 | 115.2 | -179 | 24.1 | -31 | 0 | 0 | 0 | 109.3 | R173 | P171-R173 PolarHBondContact O-N 2.92Å; P171-R173 VanDerWaalsContact O-N 3.16Å | ||
| 172 | T | 60.5 | Low | 64.1 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | trans | -63.1 | 116.1 | 179.4 | 42.3 | 0 | 0 | 0 | 0 | 109.8 | Q170 F174 | Q170-T172 PolarHBondContact O-N 3.33Å; T172-F174 VanDerWaalsContact O-CD2 3.3Å; T172-F174 WeakPolarHBondContact O-CD2 3.42Å; T172-F174 WeakPolarHBondContact O-CE2 3.45Å; T172-F174 PolarHBondContact O-N 3.01Å | ||
| 173 | R | 74.6 | Confident | 65.4 | Low | 182 Ų | 182 | 122.6 Ų | 122.6 | 69% | 0.687 | 69% | 0.685 | S | S | * | * | trans | -68.5 | 112.7 | 167.9 | -74 | -176.3 | -178.4 | 173.5 | 2.9 | 108.3 | P171 Y175 L181 | P171-R173 PolarHBondContact O-N 2.92Å; P171-R173 VanDerWaalsContact O-N 3.16Å; R173-Y175 HydrophobicContact CB-CE2 3.82Å; R173-Y175 WeakPolarHBondContact O-CD2 3.35Å; R173-L181 HydrophobicContact CB-CD1 3.5Å; R173-L181 HydrophobicContact CG-CD1 3.79Å | ||
| 174 | F | 77.5 | Confident | 66.6 | Low | 113 Ų | 113 | 124.7 Ų | 124.7 | 50% | 0.496 | 68% | 0.681 | S | S | . | * | trans | -83.5 | 134.8 | 174.6 | -65.7 | -84.9 | 0 | 0 | 0 | 109.9 | T172 V182 | T172-F174 VanDerWaalsContact O-CD2 3.3Å; T172-F174 WeakPolarHBondContact O-CD2 3.42Å; T172-F174 WeakPolarHBondContact O-CE2 3.45Å; T172-F174 PolarHBondContact O-N 3.01Å; F174-V182 HydrophobicContact CB-CB 4.01Å; F174-V182 HydrophobicContact CB-CG2 4.23Å; F174-V182 PolarHBondContact O-N 3.48Å | ||
| 175 | Y | 84.1 | Confident | 67.8 | Low | 133 Ų | 133 | 126 Ų | 126 | 52% | 0.522 | 68% | 0.681 | S | S | . | * | B | Isolated β-bridge | trans | -118.7 | 144.2 | 176.6 | -67 | -90.9 | 0 | 0 | 0 | 110.8 | R173 G179 R180 L181 | R173-Y175 HydrophobicContact CB-CE2 3.82Å; R173-Y175 WeakPolarHBondContact O-CD2 3.35Å; Y175-G179 WeakPolarHBondContact CD1-O 3.21Å; Y175-R180 CarbonylContact C-O 3.55Å; Y175-R180 VanDerWaalsContact CA-O 3.3Å; Y175-R180 WeakPolarHBondContact CA-O 3.48Å; Y175-L181 HydrophobicContact CD1-CB 4.33Å; Y175-L181 HydrophobicContact CD1-CD1 4.48Å; Y175-L181 HydrophobicContact CE1-CB 4.07Å; Y175-L181 HydrophobicContact CE1-CD1 4.03Å; Y175-L181 HydrophobicContact CE2-CD1 4.33Å |
| 176 | T | 79.5 | Confident | 68.9 | Low | 49 Ų | 49 | 125 Ų | 125 | 30% | 0.301 | 68% | 0.678 | S | S | . | * | trans | -72.4 | 163.2 | 171.3 | 63.3 | 0 | 0 | 0 | 0 | 111.2 | S178 G179 R180 V182 | T176-S178 PolarHBondContact O-N 3.3Å; T176-S178 PolarHBondContact OG1-N 3.4Å; T176-S178 PolarHBondContact OG1-OG 2.99Å; T176-G179 PolarHBondContact O-N 3.01Å; T176-R180 HydrophobicContact CG2-CB 4.25Å; T176-R180 PolarHBondContact N-O 2.95Å; T176-R180 WeakPolarHBondContact OG1-CB 3.45Å; T176-R180 PolarHBondContact OG1-N 3.12Å; T176-V182 HydrophobicContact CG2-CG2 4Å | ||
| 177 | P | 66.5 | Low | 70.1 | Confident | 149 Ų | 149 | 128.6 Ų | 128.6 | 97% | 0.968 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -20.1 | 171.6 | -26 | 35 | 0 | 0 | 0 | 114.4 | ||
| 178 | S | 80.5 | Confident | 71.2 | Confident | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 6.3 | 174.2 | 69.5 | 0 | 0 | 0 | 0 | 114.2 | T176 | T176-S178 PolarHBondContact O-N 3.3Å; T176-S178 PolarHBondContact OG1-N 3.4Å; T176-S178 PolarHBondContact OG1-OG 2.99Å |
| 179 | G | 80.8 | Confident | 72.4 | Confident | 53 Ų | 53 | 131.3 Ų | 131.3 | 55% | 0.546 | 70% | 0.702 | S | S | . | * | S | Bend | trans | 83 | 10.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y175 T176 | Y175-G179 WeakPolarHBondContact CD1-O 3.21Å; T176-G179 PolarHBondContact O-N 3.01Å |
| 180 | R | 75.8 | Confident | 73.7 | Confident | 195 Ų | 195 | 129.1 Ų | 129.1 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | trans | -86.4 | 130.9 | -177.9 | -157.6 | 178.5 | -169 | -169.1 | 3.2 | 111.1 | Y175 T176 V182 | Y175-R180 CarbonylContact C-O 3.55Å; Y175-R180 VanDerWaalsContact CA-O 3.3Å; Y175-R180 WeakPolarHBondContact CA-O 3.48Å; T176-R180 HydrophobicContact CG2-CB 4.25Å; T176-R180 PolarHBondContact N-O 2.95Å; T176-R180 WeakPolarHBondContact OG1-CB 3.45Å; T176-R180 PolarHBondContact OG1-N 3.12Å; R180-V182 PolarHBondContact O-N 3.03Å | ||
| 181 | L | 84.6 | Confident | 74.8 | Confident | 76 Ų | 76 | 127.6 Ų | 127.6 | 40% | 0.398 | 69% | 0.69 | S | S | . | * | B | Isolated β-bridge | trans | -66.6 | 123.3 | 175.2 | -177.5 | 70.3 | 0 | 0 | 0 | 110.8 | R173 Y175 K183 | R173-L181 HydrophobicContact CB-CD1 3.5Å; R173-L181 HydrophobicContact CG-CD1 3.79Å; Y175-L181 HydrophobicContact CD1-CB 4.33Å; Y175-L181 HydrophobicContact CD1-CD1 4.48Å; Y175-L181 HydrophobicContact CE1-CB 4.07Å; Y175-L181 HydrophobicContact CE1-CD1 4.03Å; Y175-L181 HydrophobicContact CE2-CD1 4.33Å; L181-K183 PolarHBondContact O-N 3Å |
| 182 | V | 81.3 | Confident | 75.8 | Confident | 73 Ų | 73 | 127.9 Ų | 127.9 | 44% | 0.442 | 68% | 0.684 | S | S | . | * | trans | -80.1 | 112.8 | 175.7 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | F174 T176 R180 | F174-V182 HydrophobicContact CB-CB 4.01Å; F174-V182 HydrophobicContact CB-CG2 4.23Å; F174-V182 PolarHBondContact O-N 3.48Å; T176-V182 HydrophobicContact CG2-CG2 4Å; R180-V182 PolarHBondContact O-N 3.03Å | ||
| 183 | K | 79.7 | Confident | 76.7 | Confident | 182 Ų | 182 | 129.5 Ų | 129.5 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 129.4 | 168.4 | -66.4 | -175.1 | 177.9 | -177.3 | 0 | 108.5 | L181 | L181-K183 PolarHBondContact O-N 3Š|
| 184 | K | 75.8 | Confident | 76.9 | Confident | 170 Ų | 170 | 126 Ų | 126 | 74% | 0.739 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 142.5 | 169.2 | -68.9 | -175.5 | 176.8 | -177.7 | 0 | 109.1 | ||
| 185 | P | 75.5 | Confident | 76.8 | Confident | 118 Ų | 118 | 126.9 Ų | 126.9 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140 | 167.7 | 26.5 | -31.3 | 0 | 0 | 0 | 109.3 | ||
| 186 | S | 72.9 | Confident | 76.3 | Confident | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | trans | -85 | 112.9 | 170.2 | 45.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 187 | D | 70.9 | Confident | 76 | Confident | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | -66.7 | 131 | 167.1 | -74.2 | -27.9 | 0 | 0 | 0 | 108.5 | ||||
| 188 | T | 67.6 | Low | 76.8 | Confident | 205 Ų | 205 | 131.5 Ų | 131.5 | 100% | 1.258 | 73% | 0.729 | S | S | * | * | trans | -103 | 0 | 171.5 | -38.1 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 188 of 188 residues in 125.6 ms
(Link to these results)