| 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 | 41.9 | Very low | 50.6 | Low | 252 Ų | 252 | 131.2 Ų | 131.2 | 100% | 1.241 | 82% | 0.818 | S | S | * | * | 0 | 123.5 | 0 | -60.2 | -179.8 | -155.7 | 0 | 0 | 105.7 | |||||
| 2 | A | 41.3 | Very low | 52.3 | Low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | cis | -142.4 | 145.6 | 35.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3 | M | 38.4 | Very low | 54 | Low | 192 Ų | 192 | 123.4 Ų | 123.4 | 95% | 0.946 | 79% | 0.786 | S | S | * | * | trans | -73.8 | 124.2 | 167.1 | -79.5 | -179.5 | 137.6 | 0 | 0 | 108.9 | Q5 | M3-Q5 PolarHBondContact O-N 3.11Š| ||
| 4 | M | 44.3 | Very low | 55.7 | Low | 193 Ų | 193 | 122.3 Ų | 122.3 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | trans | -78.6 | 113.5 | 161.1 | -75.8 | -175.4 | 105.1 | 0 | 0 | 108.2 | A6 | M4-A6 PolarHBondContact O-N 2.71Š| ||
| 5 | Q | 41.3 | Very low | 57.3 | Low | 195 Ų | 195 | 118.3 Ų | 118.3 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | trans | -74.8 | 107.9 | 171.1 | -124.1 | 167.2 | -19.8 | 0 | 0 | 108.2 | M3 | M3-Q5 PolarHBondContact O-N 3.11Š| ||
| 6 | A | 45.2 | Very low | 59 | Low | 98 Ų | 98 | 115.4 Ų | 115.4 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | trans | -78.9 | 115.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | M4 G8 | M4-A6 PolarHBondContact O-N 2.71Å; A6-G8 PolarHBondContact O-N 2.86Å | ||
| 7 | S | 48.2 | Very low | 60.6 | Low | 121 Ų | 121 | 113.5 Ų | 113.5 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | -67.5 | 115.4 | 173.8 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | G9 | S7-G9 PolarHBondContact O-N 3Š| ||
| 8 | G | 52.3 | Low | 62.1 | Low | 79 Ų | 79 | 113.3 Ų | 113.3 | 81% | 0.814 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 124 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A6 | A6-G8 PolarHBondContact O-N 2.86Š|
| 9 | G | 64.6 | Low | 63.5 | Low | 65 Ų | 65 | 112.7 Ų | 112.7 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 154.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S7 | S7-G9 PolarHBondContact O-N 3Š|
| 10 | P | 64 | Low | 64.8 | Low | 93 Ų | 93 | 112.4 Ų | 112.4 | 60% | 0.604 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 140.6 | -176.8 | 23.8 | -31.1 | 0 | 0 | 0 | 111.3 | Q14 | P10-Q14 HydrophobicContact CB-CB 4.48Š|
| 11 | S | 74.8 | Confident | 66.1 | Low | 57 Ų | 57 | 111.3 Ų | 111.3 | 40% | 0.399 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 148.4 | 179.2 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | G13 Q14 T15 | S11-G13 PolarHBondContact O-N 3.49Å; S11-Q14 WeakPolarHBondContact O-CB 3.34Å; S11-Q14 PolarHBondContact O-N 2.98Å; S11-Q14 WeakPolarHBondContact OG-CG 3.29Å; S11-Q14 PolarHBondContact OG-OE1 3.07Å; S11-T15 PolarHBondContact O-N 2.86Å; S11-T15 PolarHBondContact O-OG1 2.84Å |
| 12 | P | 71.2 | Confident | 68.6 | Low | 117 Ų | 117 | 105.9 Ų | 105.9 | 76% | 0.76 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -57.5 | -27.7 | -177.6 | 18.2 | -30.2 | 0 | 0 | 0 | 113.8 | C16 | P12-C16 PolarHBondContact O-N 3Å; P12-C16 VanDerWaalsContact O-N 3.15Å |
| 13 | G | 74.4 | Confident | 71 | Confident | 44 Ų | 44 | 104.2 Ų | 104.2 | 45% | 0.454 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.9 | -39.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S11 C16 V17 | S11-G13 PolarHBondContact O-N 3.49Å; G13-C16 PolarHBondContact O-N 2.94Å; G13-V17 WeakPolarHBondContact O-CG2 3.33Å; G13-V17 PolarHBondContact O-N 3.42Å; G13-V17 VanDerWaalsContact O-N 3.08Å |
| 14 | Q | 77.9 | Confident | 73.7 | Confident | 108 Ų | 108 | 99.5 Ų | 99.5 | 51% | 0.505 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.9 | -39.2 | 175.3 | -74.3 | 168.3 | -44.2 | 0 | 0 | 111.4 | P10 S11 C16 V17 L18 | P10-Q14 HydrophobicContact CB-CB 4.48Å; S11-Q14 WeakPolarHBondContact O-CB 3.34Å; S11-Q14 PolarHBondContact O-N 2.98Å; S11-Q14 WeakPolarHBondContact OG-CG 3.29Å; S11-Q14 PolarHBondContact OG-OE1 3.07Å; Q14-C16 VanDerWaalsContact C-N 3.34Å; Q14-C16 PolarHBondContact O-N 2.7Å; Q14-V17 PolarHBondContact O-N 3.16Å; Q14-L18 WeakPolarHBondContact O-CB 3.41Å; Q14-L18 VanDerWaalsContact O-CG 3.24Å; Q14-L18 WeakPolarHBondContact O-CG 3.42Å; Q14-L18 PolarHBondContact O-N 3.11Å |
| 15 | T | 80.2 | Confident | 76.1 | Confident | 62 Ų | 62 | 95.7 Ų | 95.7 | 38% | 0.38 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.4 | -40.5 | 175.8 | -47.9 | 0 | 0 | 0 | 0 | 111.8 | S11 L18 I19 | S11-T15 PolarHBondContact O-N 2.86Å; S11-T15 PolarHBondContact O-OG1 2.84Å; T15-L18 PolarHBondContact O-N 2.74Å; T15-I19 HydrophobicContact CG2-CD1 4.22Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.3Å; T15-I19 PolarHBondContact O-N 3.38Å |
| 16 | C | 83.5 | Confident | 78.6 | Confident | 73 Ų | 73 | 90.8 Ų | 90.8 | 49% | 0.493 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.3 | -42.4 | 178.2 | -161.9 | 0 | 0 | 0 | 0 | 112.3 | P12 G13 Q14 L18 I19 L20 | P12-C16 PolarHBondContact O-N 3Å; P12-C16 VanDerWaalsContact O-N 3.15Å; G13-C16 PolarHBondContact O-N 2.94Å; Q14-C16 VanDerWaalsContact C-N 3.34Å; Q14-C16 PolarHBondContact O-N 2.7Å; C16-L18 VanDerWaalsContact C-N 3.35Å; C16-L18 PolarHBondContact O-N 2.81Å; C16-I19 PolarHBondContact O-N 3.44Å; C16-L20 WeakPolarHBondContact O-CG 3.49Å; C16-L20 PolarHBondContact O-N 2.92Å |
| 17 | V | 87 | Confident | 81 | Confident | 83 Ų | 83 | 92.5 Ų | 92.5 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.5 | -42 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | G13 Q14 I19 L20 I21 | G13-V17 WeakPolarHBondContact O-CG2 3.33Å; G13-V17 PolarHBondContact O-N 3.42Å; G13-V17 VanDerWaalsContact O-N 3.08Å; Q14-V17 PolarHBondContact O-N 3.16Å; V17-I19 VanDerWaalsContact C-N 3.34Å; V17-I19 PolarHBondContact O-N 2.9Å; V17-L20 PolarHBondContact O-N 2.81Å; V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.28Å; V17-I21 PolarHBondContact O-N 2.96Å |
| 18 | L | 87.8 | Confident | 83.3 | Confident | 109 Ų | 109 | 89.6 Ų | 89.6 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -39 | 176.9 | -72.5 | 169.8 | 0 | 0 | 0 | 112.4 | Q14 T15 C16 I21 F22 | Q14-L18 WeakPolarHBondContact O-CB 3.41Å; Q14-L18 VanDerWaalsContact O-CG 3.24Å; Q14-L18 WeakPolarHBondContact O-CG 3.42Å; Q14-L18 PolarHBondContact O-N 3.11Å; T15-L18 PolarHBondContact O-N 2.74Å; C16-L18 VanDerWaalsContact C-N 3.35Å; C16-L18 PolarHBondContact O-N 2.81Å; L18-I21 PolarHBondContact O-N 3.38Å; L18-F22 WeakPolarHBondContact O-CB 3.49Å; L18-F22 PolarHBondContact O-N 2.81Å |
| 19 | I | 89.3 | Confident | 85.4 | Confident | 102 Ų | 102 | 91.1 Ų | 91.1 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.3 | -68.8 | 164.5 | 0 | 0 | 0 | 110.5 | T15 C16 V17 I21 F22 T23 | T15-I19 HydrophobicContact CG2-CD1 4.22Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.3Å; T15-I19 PolarHBondContact O-N 3.38Å; C16-I19 PolarHBondContact O-N 3.44Å; V17-I19 VanDerWaalsContact C-N 3.34Å; V17-I19 PolarHBondContact O-N 2.9Å; I19-I21 PolarHBondContact O-N 3.4Å; I19-F22 PolarHBondContact O-N 3.37Å; I19-T23 HydrophobicContact CG2-CG2 4.36Å; I19-T23 WeakPolarHBondContact O-CG2 3.14Å; I19-T23 PolarHBondContact O-N 3.29Å; I19-T23 PolarHBondContact O-OG1 3.32Å |
| 20 | L | 89.3 | Confident | 86.8 | Confident | 107 Ų | 107 | 91.2 Ų | 91.2 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -46.1 | 178 | -72.1 | 174.1 | 0 | 0 | 0 | 111.6 | C16 V17 F22 T23 V24 | C16-L20 WeakPolarHBondContact O-CG 3.49Å; C16-L20 PolarHBondContact O-N 2.92Å; V17-L20 PolarHBondContact O-N 2.81Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.07Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 3.2Å; L20-T23 PolarHBondContact O-OG1 3.1Å; L20-V24 WeakPolarHBondContact O-CG2 3.39Å; L20-V24 PolarHBondContact O-N 2.84Å |
| 21 | I | 92.4 | Very high | 88.4 | Confident | 89 Ų | 89 | 90.9 Ų | 90.9 | 46% | 0.456 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 175.9 | -68 | 166.6 | 0 | 0 | 0 | 110.6 | V17 L18 I19 T23 V24 L25 | V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.28Å; V17-I21 PolarHBondContact O-N 2.96Å; L18-I21 PolarHBondContact O-N 3.38Å; I19-I21 PolarHBondContact O-N 3.4Å; I21-T23 PolarHBondContact O-N 2.71Å; I21-V24 PolarHBondContact O-N 3.27Å; I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.39Å; I21-L25 WeakPolarHBondContact O-CB 3.38Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 3.26Å; I21-L25 PolarHBondContact O-N 3.31Å |
| 22 | F | 94.3 | Very high | 89.4 | Confident | 138 Ų | 138 | 90.6 Ų | 90.6 | 61% | 0.605 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 178.3 | -175.4 | -97.5 | 0 | 0 | 0 | 112.3 | L18 I19 L20 L25 L26 | L18-F22 WeakPolarHBondContact O-CB 3.49Å; L18-F22 PolarHBondContact O-N 2.81Å; I19-F22 PolarHBondContact O-N 3.37Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.07Å; F22-L25 PolarHBondContact O-N 2.82Å; F22-L26 HydrophobicContact CE1-CD2 4.37Å; F22-L26 WeakPolarHBondContact O-CB 3.31Å; F22-L26 PolarHBondContact O-N 3.44Å |
| 23 | T | 90.9 | Very high | 90.6 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 178 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | I19 L20 I21 L26 Q27 | I19-T23 HydrophobicContact CG2-CG2 4.36Å; I19-T23 WeakPolarHBondContact O-CG2 3.14Å; I19-T23 PolarHBondContact O-N 3.29Å; I19-T23 PolarHBondContact O-OG1 3.32Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 3.2Å; L20-T23 PolarHBondContact O-OG1 3.1Å; I21-T23 PolarHBondContact O-N 2.71Å; T23-L26 PolarHBondContact O-N 3.04Å; T23-Q27 WeakPolarHBondContact O-CB 3.38Å; T23-Q27 PolarHBondContact O-N 3.15Å |
| 24 | V | 94.9 | Very high | 91.5 | Very high | 93 Ų | 93 | 90.5 Ų | 90.5 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.8 | -42.4 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L20 I21 Q27 A28 | L20-V24 WeakPolarHBondContact O-CG2 3.39Å; L20-V24 PolarHBondContact O-N 2.84Å; I21-V24 PolarHBondContact O-N 3.27Å; V24-Q27 PolarHBondContact O-N 2.92Å; V24-A28 WeakPolarHBondContact O-CB 3.14Å; V24-A28 PolarHBondContact O-N 3.29Å |
| 25 | L | 94.7 | Very high | 92.3 | Very high | 113 Ų | 113 | 92.9 Ų | 92.9 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 175.8 | -73.6 | 175.4 | 0 | 0 | 0 | 111.8 | I21 F22 A28 L29 | I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.39Å; I21-L25 WeakPolarHBondContact O-CB 3.38Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 3.26Å; I21-L25 PolarHBondContact O-N 3.31Å; F22-L25 PolarHBondContact O-N 2.82Å; L25-A28 PolarHBondContact O-N 3.23Å; L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 PolarHBondContact O-N 2.88Å |
| 26 | L | 95 | Very high | 93 | Very high | 92 Ų | 92 | 95.5 Ų | 95.5 | 48% | 0.482 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.5 | -174.2 | 64.6 | 0 | 0 | 0 | 111.4 | F22 T23 L29 C30 | F22-L26 HydrophobicContact CE1-CD2 4.37Å; F22-L26 WeakPolarHBondContact O-CB 3.31Å; F22-L26 PolarHBondContact O-N 3.44Å; T23-L26 PolarHBondContact O-N 3.04Å; L26-L29 PolarHBondContact O-N 2.78Å; L26-C30 PolarHBondContact O-N 2.86Å; L26-C30 PolarHBondContact O-SG 3Å; L26-C30 VanDerWaalsContact O-SG 3.39Å |
| 27 | Q | 94.6 | Very high | 93.5 | Very high | 133 Ų | 133 | 98.6 Ų | 98.6 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 177.3 | -172.9 | 175.6 | -14.4 | 0 | 0 | 111.7 | T23 V24 L29 C30 V31 | T23-Q27 WeakPolarHBondContact O-CB 3.38Å; T23-Q27 PolarHBondContact O-N 3.15Å; V24-Q27 PolarHBondContact O-N 2.92Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 3.14Å; Q27-C30 PolarHBondContact O-N 3.45Å; Q27-V31 VanDerWaalsContact O-CG2 3.31Å; Q27-V31 WeakPolarHBondContact O-CG2 3.25Å; Q27-V31 PolarHBondContact O-N 3.23Å |
| 28 | A | 95.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 100.8 Ų | 100.8 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V24 L25 V31 A32 | V24-A28 WeakPolarHBondContact O-CB 3.14Å; V24-A28 PolarHBondContact O-N 3.29Å; L25-A28 PolarHBondContact O-N 3.23Å; A28-V31 PolarHBondContact O-N 3.34Å; A28-A32 WeakPolarHBondContact O-CB 3.46Å; A28-A32 PolarHBondContact O-N 2.86Å |
| 29 | L | 96.6 | Very high | 93.9 | Very high | 111 Ų | 111 | 97.6 Ų | 97.6 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -44.2 | 177.4 | -169.4 | 132.2 | 0 | 0 | 0 | 111.9 | L25 L26 Q27 V31 A32 V33 | L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 PolarHBondContact O-N 2.88Å; L26-L29 PolarHBondContact O-N 2.78Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 3.14Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.16Å; L29-A32 PolarHBondContact O-N 2.89Å; L29-V33 HydrophobicContact CD2-CG2 4.46Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 2.84Å |
| 30 | C | 95.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 97.8 Ų | 97.8 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 174.6 | -75.2 | 0 | 0 | 0 | 0 | 112.4 | L26 Q27 V33 T34 | L26-C30 PolarHBondContact O-N 2.86Å; L26-C30 PolarHBondContact O-SG 3Å; L26-C30 VanDerWaalsContact O-SG 3.39Å; Q27-C30 PolarHBondContact O-N 3.45Å; C30-V33 PolarHBondContact O-N 2.93Å; C30-T34 WeakPolarHBondContact O-CB 3.34Å; C30-T34 WeakPolarHBondContact O-CG2 3.5Å; C30-T34 PolarHBondContact O-N 2.61Å; C30-T34 PolarHBondContact O-OG1 2.75Å |
| 31 | V | 95.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 95.9 Ų | 95.9 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 177 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | Q27 A28 L29 T34 Y35 | Q27-V31 VanDerWaalsContact O-CG2 3.31Å; Q27-V31 WeakPolarHBondContact O-CG2 3.25Å; Q27-V31 PolarHBondContact O-N 3.23Å; A28-V31 PolarHBondContact O-N 3.34Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.16Å; V31-T34 WeakPolarHBondContact CA-OG1 3.3Å; V31-T34 PolarHBondContact O-N 2.96Å; V31-T34 PolarHBondContact O-OG1 3.43Å; V31-Y35 VanDerWaalsContact O-CB 3.23Å; V31-Y35 WeakPolarHBondContact O-CB 3.1Å; V31-Y35 PolarHBondContact O-N 2.86Å |
| 32 | A | 95.8 | Very high | 93.3 | Very high | 51 Ų | 51 | 97.3 Ų | 97.3 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A28 L29 Y35 L36 | A28-A32 WeakPolarHBondContact O-CB 3.46Å; A28-A32 PolarHBondContact O-N 2.86Å; L29-A32 PolarHBondContact O-N 2.89Å; A32-Y35 PolarHBondContact O-N 2.88Å; A32-L36 WeakPolarHBondContact O-CG 3.17Å; A32-L36 PolarHBondContact O-N 2.66Å |
| 33 | V | 96.3 | Very high | 92.7 | Very high | 88 Ų | 88 | 96.5 Ų | 96.5 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L29 C30 L36 Y37 | L29-V33 HydrophobicContact CD2-CG2 4.46Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 2.84Å; C30-V33 PolarHBondContact O-N 2.93Å; V33-L36 PolarHBondContact O-N 3Å; V33-Y37 WeakPolarHBondContact O-CB 3.38Å; V33-Y37 PolarHBondContact O-N 2.84Å |
| 34 | T | 94.1 | Very high | 92.1 | Very high | 71 Ų | 71 | 97.7 Ų | 97.7 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 178.4 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | C30 V31 L36 Y37 F38 | C30-T34 WeakPolarHBondContact O-CB 3.34Å; C30-T34 WeakPolarHBondContact O-CG2 3.5Å; C30-T34 PolarHBondContact O-N 2.61Å; C30-T34 PolarHBondContact O-OG1 2.75Å; V31-T34 WeakPolarHBondContact CA-OG1 3.3Å; V31-T34 PolarHBondContact O-N 2.96Å; V31-T34 PolarHBondContact O-OG1 3.43Å; T34-L36 PolarHBondContact O-N 3.01Å; T34-Y37 PolarHBondContact O-N 2.88Å; T34-F38 WeakPolarHBondContact O-CB 3.32Å; T34-F38 VanDerWaalsContact O-CD2 3.27Å; T34-F38 WeakPolarHBondContact O-CD2 3.35Å; T34-F38 PolarHBondContact O-N 3.2Å |
| 35 | Y | 95.7 | Very high | 91 | Very high | 159 Ų | 159 | 97.9 Ų | 97.9 | 62% | 0.624 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.3 | -46.1 | 174.7 | 177.9 | -96.4 | 0 | 0 | 0 | 112.5 | V31 A32 T39 | V31-Y35 VanDerWaalsContact O-CB 3.23Å; V31-Y35 WeakPolarHBondContact O-CB 3.1Å; V31-Y35 PolarHBondContact O-N 2.86Å; A32-Y35 PolarHBondContact O-N 2.88Å; Y35-T39 VanDerWaalsContact O-CB 3.3Å; Y35-T39 WeakPolarHBondContact O-CB 3.25Å; Y35-T39 PolarHBondContact O-N 2.77Å; Y35-T39 PolarHBondContact O-OG1 2.88Å |
| 36 | L | 94 | Very high | 89.8 | Confident | 117 Ų | 117 | 99.2 Ų | 99.2 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 177.3 | -73 | 172.8 | 0 | 0 | 0 | 111.9 | A32 V33 T34 T39 N40 | A32-L36 WeakPolarHBondContact O-CG 3.17Å; A32-L36 PolarHBondContact O-N 2.66Å; V33-L36 PolarHBondContact O-N 3Å; T34-L36 PolarHBondContact O-N 3.01Å; L36-T39 PolarHBondContact O-N 3.2Å; L36-N40 WeakPolarHBondContact O-CB 3.04Å; L36-N40 PolarHBondContact O-N 3.14Å |
| 37 | Y | 94.7 | Very high | 88.3 | Confident | 137 Ų | 137 | 100 Ų | 100 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -51.9 | 176.3 | 177.5 | -101.1 | 0 | 0 | 0 | 111.7 | V33 T34 T39 N40 E41 | V33-Y37 WeakPolarHBondContact O-CB 3.38Å; V33-Y37 PolarHBondContact O-N 2.84Å; T34-Y37 PolarHBondContact O-N 2.88Å; Y37-T39 VanDerWaalsContact C-N 3.34Å; Y37-T39 PolarHBondContact O-N 2.79Å; Y37-N40 PolarHBondContact O-N 2.99Å; Y37-N40 VanDerWaalsContact O-N 3.16Å; Y37-E41 HydrophobicContact CE1-CG 4.02Å; Y37-E41 HydrophobicContact CE2-CG 4.14Å; Y37-E41 PolarHBondContact O-N 3.02Å |
| 38 | F | 91.1 | Very high | 86.9 | Confident | 130 Ų | 130 | 99.6 Ų | 99.6 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 178.5 | -88.5 | -70.8 | 0 | 0 | 0 | 112.3 | T34 N40 E41 L42 | T34-F38 WeakPolarHBondContact O-CB 3.32Å; T34-F38 VanDerWaalsContact O-CD2 3.27Å; T34-F38 WeakPolarHBondContact O-CD2 3.35Å; T34-F38 PolarHBondContact O-N 3.2Å; F38-N40 VanDerWaalsContact C-N 3.28Å; F38-N40 PolarHBondContact O-N 2.69Å; F38-E41 PolarHBondContact O-N 3.46Å; F38-L42 VanDerWaalsContact O-CB 3.32Å; F38-L42 WeakPolarHBondContact O-CB 3.26Å; F38-L42 VanDerWaalsContact O-CG 3.25Å; F38-L42 WeakPolarHBondContact O-CG 3.49Å; F38-L42 PolarHBondContact O-N 2.82Å |
| 39 | T | 90.6 | Very high | 85.2 | Confident | 41 Ų | 41 | 104.9 Ų | 104.9 | 25% | 0.252 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -38 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | Y35 L36 Y37 K43 | Y35-T39 VanDerWaalsContact O-CB 3.3Å; Y35-T39 WeakPolarHBondContact O-CB 3.25Å; Y35-T39 PolarHBondContact O-N 2.77Å; Y35-T39 PolarHBondContact O-OG1 2.88Å; L36-T39 PolarHBondContact O-N 3.2Å; Y37-T39 VanDerWaalsContact C-N 3.34Å; Y37-T39 PolarHBondContact O-N 2.79Å; T39-K43 WeakPolarHBondContact O-CB 3.43Å; T39-K43 WeakPolarHBondContact O-CG 3.16Å; T39-K43 PolarHBondContact O-N 2.88Å |
| 40 | N | 88.9 | Confident | 83.3 | Confident | 106 Ų | 106 | 103.1 Ų | 103.1 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.4 | -44 | 177.8 | -165.8 | 37.4 | 0 | 0 | 0 | 112.1 | L36 Y37 F38 K43 Q44 | L36-N40 WeakPolarHBondContact O-CB 3.04Å; L36-N40 PolarHBondContact O-N 3.14Å; Y37-N40 PolarHBondContact O-N 2.99Å; Y37-N40 VanDerWaalsContact O-N 3.16Å; F38-N40 VanDerWaalsContact C-N 3.28Å; F38-N40 PolarHBondContact O-N 2.69Å; N40-K43 PolarHBondContact O-N 3.27Å; N40-Q44 PolarHBondContact O-N 2.98Å |
| 41 | E | 89.4 | Confident | 81.4 | Confident | 67 Ų | 67 | 108.6 Ų | 108.6 | 31% | 0.313 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.1 | -73.5 | -61.2 | 140.3 | 0 | 0 | 112 | Y37 F38 K43 Q44 M45 | Y37-E41 HydrophobicContact CE1-CG 4.02Å; Y37-E41 HydrophobicContact CE2-CG 4.14Å; Y37-E41 PolarHBondContact O-N 3.02Å; F38-E41 PolarHBondContact O-N 3.46Å; E41-K43 VanDerWaalsContact C-N 3.34Å; E41-K43 PolarHBondContact O-N 3.12Å; E41-Q44 WeakPolarHBondContact O-CB 3.44Å; E41-Q44 PolarHBondContact O-N 2.89Å; E41-Q44 VanDerWaalsContact O-N 3.13Å; E41-M45 WeakPolarHBondContact O-CG 3.23Å; E41-M45 PolarHBondContact O-N 2.83Å |
| 42 | L | 81.6 | Confident | 79.5 | Confident | 119 Ų | 119 | 107.3 Ų | 107.3 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 175.1 | -75.5 | 171.7 | 0 | 0 | 0 | 111.9 | F38 Q44 M45 Q46 | F38-L42 VanDerWaalsContact O-CB 3.32Å; F38-L42 WeakPolarHBondContact O-CB 3.26Å; F38-L42 VanDerWaalsContact O-CG 3.25Å; F38-L42 WeakPolarHBondContact O-CG 3.49Å; F38-L42 PolarHBondContact O-N 2.82Å; L42-Q44 VanDerWaalsContact C-N 3.34Å; L42-M45 PolarHBondContact O-N 2.95Å; L42-Q46 WeakPolarHBondContact O-CB 3.38Å; L42-Q46 PolarHBondContact O-N 2.79Å |
| 43 | K | 80.8 | Confident | 77.6 | Confident | 122 Ų | 122 | 108 Ų | 108 | 53% | 0.53 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 172.5 | -78 | 178.1 | 179.3 | -178.6 | 0 | 111.6 | T39 N40 E41 M45 Q46 I47 | T39-K43 WeakPolarHBondContact O-CB 3.43Å; T39-K43 WeakPolarHBondContact O-CG 3.16Å; T39-K43 PolarHBondContact O-N 2.88Å; N40-K43 PolarHBondContact O-N 3.27Å; E41-K43 VanDerWaalsContact C-N 3.34Å; E41-K43 PolarHBondContact O-N 3.12Å; K43-M45 VanDerWaalsContact C-N 3.35Å; K43-Q46 PolarHBondContact O-N 3.04Å; K43-I47 VanDerWaalsContact O-CG1 3.26Å; K43-I47 WeakPolarHBondContact O-CG1 3.49Å; K43-I47 PolarHBondContact O-N 3.36Å |
| 44 | Q | 78.4 | Confident | 76 | Confident | 88 Ų | 88 | 108.3 Ų | 108.3 | 41% | 0.411 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 177.9 | -154.7 | -159.7 | 72.9 | 0 | 0 | 111.7 | N40 E41 L42 I47 K48 | N40-Q44 PolarHBondContact O-N 2.98Å; E41-Q44 WeakPolarHBondContact O-CB 3.44Å; E41-Q44 PolarHBondContact O-N 2.89Å; E41-Q44 VanDerWaalsContact O-N 3.13Å; L42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-I47 PolarHBondContact O-N 3.1Å; Q44-K48 WeakPolarHBondContact O-CG 3.36Å; Q44-K48 PolarHBondContact O-N 2.97Å |
| 45 | M | 71.9 | Confident | 74.4 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 172.6 | -75.3 | -69.2 | -133.4 | 0 | 0 | 111.1 | E41 L42 K43 I47 K48 Y49 | E41-M45 WeakPolarHBondContact O-CG 3.23Å; E41-M45 PolarHBondContact O-N 2.83Å; L42-M45 PolarHBondContact O-N 2.95Å; K43-M45 VanDerWaalsContact C-N 3.35Å; M45-I47 VanDerWaalsContact C-N 3.3Å; M45-I47 PolarHBondContact O-N 2.99Å; M45-K48 PolarHBondContact O-N 2.97Å; M45-K48 VanDerWaalsContact O-N 3.08Å; M45-Y49 HydrophobicContact CB-CD2 4.47Å; M45-Y49 VanDerWaalsContact O-CD2 3.24Å; M45-Y49 WeakPolarHBondContact O-CD2 3.41Å; M45-Y49 PolarHBondContact O-N 2.78Å; M45-Y49 HydrophobicContact SD-CE2 4.38Å |
| 46 | Q | 69.6 | Low | 73 | Confident | 141 Ų | 141 | 101 Ų | 101 | 66% | 0.659 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.3 | -42.7 | 178.3 | -172.7 | 177.5 | 2.7 | 0 | 0 | 111.9 | L42 K43 Y49 S50 | L42-Q46 WeakPolarHBondContact O-CB 3.38Å; L42-Q46 PolarHBondContact O-N 2.79Å; K43-Q46 PolarHBondContact O-N 3.04Å; Q46-Y49 PolarHBondContact O-N 2.92Å; Q46-S50 WeakPolarHBondContact O-CB 3.44Å; Q46-S50 PolarHBondContact O-N 2.96Å; Q46-S50 PolarHBondContact O-OG 3.01Å |
| 47 | I | 63.4 | Low | 71.5 | Confident | 108 Ų | 108 | 100.5 Ų | 100.5 | 55% | 0.554 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.6 | -38.5 | 176.5 | -67.2 | 165.9 | 0 | 0 | 0 | 111.5 | K43 Q44 M45 S50 K51 | K43-I47 VanDerWaalsContact O-CG1 3.26Å; K43-I47 WeakPolarHBondContact O-CG1 3.49Å; K43-I47 PolarHBondContact O-N 3.36Å; Q44-I47 PolarHBondContact O-N 3.1Å; M45-I47 VanDerWaalsContact C-N 3.3Å; M45-I47 PolarHBondContact O-N 2.99Å; I47-S50 WeakPolarHBondContact CA-OG 3.28Å; I47-S50 PolarHBondContact O-OG 2.62Å; I47-K51 WeakPolarHBondContact O-CB 3.3Å; I47-K51 PolarHBondContact O-N 2.9Å |
| 48 | K | 66.1 | Low | 70 | Confident | 125 Ų | 125 | 100.1 Ų | 100.1 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 175.3 | -79.1 | 174.9 | 178.8 | 163.9 | 0 | 112 | Q44 M45 K51 S52 | Q44-K48 WeakPolarHBondContact O-CG 3.36Å; Q44-K48 PolarHBondContact O-N 2.97Å; M45-K48 PolarHBondContact O-N 2.97Å; M45-K48 VanDerWaalsContact O-N 3.08Å; K48-K51 PolarHBondContact O-N 2.9Å; K48-S52 PolarHBondContact O-N 3.07Å; K48-S52 VanDerWaalsContact O-N 3.16Å |
| 49 | Y | 58.3 | Low | 68.4 | Low | 171 Ų | 171 | 101.2 Ų | 101.2 | 67% | 0.671 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.9 | -40.7 | 175.8 | -85.3 | -76.2 | 0 | 0 | 0 | 112.1 | M45 Q46 K51 S52 | M45-Y49 HydrophobicContact CB-CD2 4.47Å; M45-Y49 VanDerWaalsContact O-CD2 3.24Å; M45-Y49 WeakPolarHBondContact O-CD2 3.41Å; M45-Y49 PolarHBondContact O-N 2.78Å; M45-Y49 HydrophobicContact SD-CE2 4.38Å; Q46-Y49 PolarHBondContact O-N 2.92Å; Y49-K51 PolarHBondContact O-N 3.25Å; Y49-S52 WeakPolarHBondContact O-CB 3.27Å; Y49-S52 PolarHBondContact O-N 3.13Å |
| 50 | S | 57 | Low | 66.7 | Low | 74 Ų | 74 | 107.9 Ų | 107.9 | 52% | 0.517 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.9 | -22 | 174.9 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | Q46 I47 A55 | Q46-S50 WeakPolarHBondContact O-CB 3.44Å; Q46-S50 PolarHBondContact O-N 2.96Å; Q46-S50 PolarHBondContact O-OG 3.01Å; I47-S50 WeakPolarHBondContact CA-OG 3.28Å; I47-S50 PolarHBondContact O-OG 2.62Å; S50-A55 WeakPolarHBondContact O-CB 3.23Å |
| 51 | K | 56.8 | Low | 65 | Low | 181 Ų | 181 | 106.7 Ų | 106.7 | 79% | 0.787 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -8.4 | 176.8 | -162.2 | 172 | -177.3 | 178.8 | 0 | 113.2 | I47 K48 Y49 | I47-K51 WeakPolarHBondContact O-CB 3.3Å; I47-K51 PolarHBondContact O-N 2.9Å; K48-K51 PolarHBondContact O-N 2.9Å; Y49-K51 PolarHBondContact O-N 3.25Å |
| 52 | S | 55.2 | Low | 63.1 | Low | 60 Ų | 60 | 111.7 Ų | 111.7 | 42% | 0.42 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -69 | 130.5 | 169.5 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | K48 Y49 I54 A55 | K48-S52 PolarHBondContact O-N 3.07Å; K48-S52 VanDerWaalsContact O-N 3.16Å; Y49-S52 WeakPolarHBondContact O-CB 3.27Å; Y49-S52 PolarHBondContact O-N 3.13Å; S52-I54 PolarHBondContact O-N 2.8Å; S52-A55 PolarHBondContact O-N 3.28Å; S52-A55 VanDerWaalsContact O-N 3.1Å |
| 53 | G | 56.3 | Low | 61.8 | Low | 65 Ų | 65 | 109.3 Ų | 109.3 | 67% | 0.67 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 12.4 | -166 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 54 | I | 61.3 | Low | 60.3 | Low | 95 Ų | 95 | 111 Ų | 111 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.2 | -6.6 | 175.3 | 49 | 168.7 | 0 | 0 | 0 | 114 | S52 C56 F57 L58 | S52-I54 PolarHBondContact O-N 2.8Å; I54-C56 PolarHBondContact O-N 2.95Å; I54-C56 VanDerWaalsContact O-N 3.14Å; I54-F57 HydrophobicContact CB-CD2 4.46Å; I54-F57 HydrophobicContact CG2-CD2 4.29Å; I54-F57 PolarHBondContact O-N 3.39Å; I54-L58 HydrophobicContact CD1-CD1 4.31Å; I54-L58 PolarHBondContact O-N 3.45Å |
| 55 | A | 61.8 | Low | 59.2 | Low | 37 Ų | 37 | 110.8 Ų | 110.8 | 31% | 0.306 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.4 | -30.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S50 S52 F57 | S50-A55 WeakPolarHBondContact O-CB 3.23Å; S52-A55 PolarHBondContact O-N 3.28Å; S52-A55 VanDerWaalsContact O-N 3.1Å; A55-F57 VanDerWaalsContact C-N 3.27Å; A55-F57 PolarHBondContact O-N 2.78Å |
| 56 | C | 65.1 | Low | 58.5 | Low | 38 Ų | 38 | 109.8 Ų | 109.8 | 26% | 0.257 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.5 | -17.2 | 174.8 | -67.2 | 0 | 0 | 0 | 0 | 114.7 | I54 C77 | I54-C56 PolarHBondContact O-N 2.95Å; I54-C56 VanDerWaalsContact O-N 3.14Å; C56-C77 WeakPolarHBondContact CA-SG 3.08Å; C56-C77 HydrophobicContact CB-CB 3.48Å; C56-C77 VanDerWaalsContact CB-CB 3.48Å; C56-C77 WeakPolarHBondContact CB-SG 3.37Å; C56-C77 WeakPolarHBondContact SG-CA 3.39Å; C56-C77 WeakPolarHBondContact SG-CB 3.49Å; C56-C77 CovalentContact SG-SG 2.04Å; C56-C77 PolarHBondContact SG-SG 2.89Å |
| 57 | F | 64.1 | Low | 57.8 | Low | 107 Ų | 107 | 106.2 Ų | 106.2 | 47% | 0.469 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -97.7 | -19.5 | 179.3 | -61.3 | -61.6 | 0 | 0 | 0 | 113.2 | I54 A55 V80 L84 | I54-F57 HydrophobicContact CB-CD2 4.46Å; I54-F57 HydrophobicContact CG2-CD2 4.29Å; I54-F57 PolarHBondContact O-N 3.39Å; A55-F57 VanDerWaalsContact C-N 3.27Å; A55-F57 PolarHBondContact O-N 2.78Å; F57-V80 HydrophobicContact CE2-CG1 4.35Å; F57-V80 HydrophobicContact CZ-CG1 3.83Å; F57-L84 HydrophobicContact CD1-CD2 4.46Å; F57-L84 HydrophobicContact CE1-CD2 3.49Å; F57-L84 VanDerWaalsContact CE1-CD2 3.49Å; F57-L84 HydrophobicContact CZ-CD2 3.91Å |
| 58 | L | 62 | Low | 57.5 | Low | 130 Ų | 130 | 108 Ų | 108 | 68% | 0.681 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -96 | -8.4 | -175.9 | -66.3 | 173 | 0 | 0 | 0 | 113.5 | I54 E60 | I54-L58 HydrophobicContact CD1-CD1 4.31Å; I54-L58 PolarHBondContact O-N 3.45Å; L58-E60 PolarHBondContact O-N 3.29Å; L58-E60 VanDerWaalsContact O-N 3.16Å |
| 59 | K | 57.9 | Low | 57.4 | Low | 152 Ų | 152 | 105.7 Ų | 105.7 | 66% | 0.661 | 56% | 0.562 | S | S | * | * | trans | -79 | 99.3 | 174.8 | -151.9 | -179.1 | 179 | -163.7 | 0 | 107.9 | D61 | K59-D61 PolarHBondContact O-N 3.26Š| ||
| 60 | E | 54.8 | Low | 57.3 | Low | 181 Ų | 181 | 105.8 Ų | 105.8 | 85% | 0.846 | 57% | 0.568 | S | S | * | * | trans | -64.2 | 87.4 | 167.4 | -80.4 | 173.7 | 159 | 0 | 0 | 108.2 | L58 | L58-E60 PolarHBondContact O-N 3.29Å; L58-E60 VanDerWaalsContact O-N 3.16Å | ||
| 61 | D | 53.8 | Low | 57.3 | Low | 82 Ų | 82 | 110.9 Ų | 110.9 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | trans | -95 | 103.9 | 158.8 | -79.3 | -34.4 | 0 | 0 | 0 | 106.4 | K59 S63 | K59-D61 PolarHBondContact O-N 3.26Å; D61-S63 PolarHBondContact O-N 2.8Å | ||
| 62 | D | 49.9 | Very low | 57.2 | Low | 171 Ų | 171 | 103.2 Ų | 103.2 | 91% | 0.914 | 55% | 0.553 | S | S | * | * | trans | -65.5 | 11.4 | 175.3 | -93.8 | -25.7 | 0 | 0 | 0 | 113.5 | ||||
| 63 | S | 53.4 | Low | 57.2 | Low | 70 Ų | 70 | 105.4 Ų | 105.4 | 49% | 0.49 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -77.6 | 126.5 | 175.2 | 52 | 0 | 0 | 0 | 0 | 110.4 | D61 W65 | D61-S63 PolarHBondContact O-N 2.8Å; S63-W65 PolarHBondContact O-N 2.72Å; S63-W65 VanDerWaalsContact O-N 3.16Å; S63-W65 PolarHBondContact O-NE1 3.1Å |
| 64 | D | 49 | Very low | 57.2 | Low | 158 Ų | 158 | 109.3 Ų | 109.3 | 85% | 0.845 | 56% | 0.564 | S | S | * | * | trans | -56.2 | 116.9 | 168.5 | -163.1 | 17.3 | 0 | 0 | 0 | 108.2 | D66 | D64-D66 PolarHBondContact O-N 3.18Å; D64-D66 VanDerWaalsContact O-N 3.07Å | ||
| 65 | W | 55.5 | Low | 57.4 | Low | 83 Ų | 83 | 106.8 Ų | 106.8 | 31% | 0.314 | 55% | 0.554 | S | S | . | * | trans | -79.7 | 93.5 | -170 | -76.8 | 78.2 | 0 | 0 | 0 | 110.2 | S63 P67 S72 W78 K81 | S63-W65 PolarHBondContact O-N 2.72Å; S63-W65 VanDerWaalsContact O-N 3.16Å; S63-W65 PolarHBondContact O-NE1 3.1Å; W65-P67 WeakPolarHBondContact O-CD 3.38Å; W65-S72 WeakPolarHBondContact CZ3-OG 3.34Å; W65-W78 HydrophobicContact CE3-CE3 4.35Å; W65-W78 AromaticContact CE3-CZ3 3.98Å; W65-W78 HydrophobicContact CE3-CZ3 3.98Å; W65-W78 AromaticContact CZ3-CE3 3.89Å; W65-W78 HydrophobicContact CZ3-CE3 3.89Å; W65-W78 AromaticContact CZ3-CZ3 3.99Å; W65-W78 HydrophobicContact CZ3-CZ3 3.99Å; W65-K81 HydrophobicContact CD2-CD 4.4Å; W65-K81 HydrophobicContact CE3-CD 4.37Å; W65-K81 HydrophobicContact CH2-CD 4.1Å; W65-K81 HydrophobicContact CZ2-CD 4.17Å; W65-K81 HydrophobicContact CZ3-CD 4.23Å | ||
| 66 | D | 57.2 | Low | 57.6 | Low | 77 Ų | 77 | 111 Ų | 111 | 41% | 0.412 | 58% | 0.579 | S | S | . | * | trans | -76.6 | 123.8 | 169.2 | -164.8 | -29.8 | 0 | 0 | 0 | 110 | D64 N68 D69 | D64-D66 PolarHBondContact O-N 3.18Å; D64-D66 VanDerWaalsContact O-N 3.07Å; D66-N68 PolarHBondContact O-N 2.89Å; D66-N68 VanDerWaalsContact O-N 3.11Å; D66-N68 PolarHBondContact OD1-N 2.85Å; D66-D69 WeakPolarHBondContact CB-OD2 3.38Å; D66-D69 PolarHBondContact O-N 2.64Å | ||
| 67 | P | 55.8 | Low | 58 | Low | 66 Ų | 66 | 111.1 Ų | 111.1 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.6 | -17.4 | 174.6 | -23.4 | 33 | 0 | 0 | 0 | 115.6 | W65 | W65-P67 WeakPolarHBondContact O-CD 3.38Š|
| 68 | N | 57.3 | Low | 58.4 | Low | 144 Ų | 144 | 108.1 Ų | 108.1 | 77% | 0.77 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 1.2 | -176.8 | -80.1 | -13.9 | 0 | 0 | 0 | 114.6 | D66 E70 | D66-N68 PolarHBondContact O-N 2.89Å; D66-N68 VanDerWaalsContact O-N 3.11Å; D66-N68 PolarHBondContact OD1-N 2.85Å; N68-E70 PolarHBondContact O-N 2.84Å |
| 69 | D | 62.7 | Low | 58.9 | Low | 78 Ų | 78 | 108.3 Ų | 108.3 | 42% | 0.417 | 56% | 0.562 | S | S | . | * | trans | -75.6 | 113.3 | -179.9 | -77 | -18.1 | 0 | 0 | 0 | 111.7 | D66 E71 S72 | D66-D69 WeakPolarHBondContact CB-OD2 3.38Å; D66-D69 PolarHBondContact O-N 2.64Å; D69-E71 PolarHBondContact O-N 2.99Å; D69-S72 PolarHBondContact O-N 2.92Å; D69-S72 VanDerWaalsContact O-N 3.16Å | ||
| 70 | E | 57 | Low | 59.7 | Low | 172 Ų | 172 | 104 Ų | 104 | 80% | 0.804 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57.6 | -29.6 | 176.4 | -96.9 | -176.9 | 150.1 | 0 | 0 | 112.9 | N68 S72 | N68-E70 PolarHBondContact O-N 2.84Å; E70-S72 VanDerWaalsContact C-N 3.35Å |
| 71 | E | 55.6 | Low | 60.7 | Low | 182 Ų | 182 | 99.2 Ų | 99.2 | 85% | 0.85 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73 | -29.7 | -178.9 | -135 | 172.1 | -168.3 | 0 | 0 | 112.3 | D69 | D69-E71 PolarHBondContact O-N 2.99Å |
| 72 | S | 56.4 | Low | 61.7 | Low | 20 Ų | 20 | 101.5 Ų | 101.5 | 14% | 0.14 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -77.6 | -29.9 | -180 | 140.3 | 0 | 0 | 0 | 0 | 112.3 | W65 D69 E70 N74 S75 W78 | W65-S72 WeakPolarHBondContact CZ3-OG 3.34Å; D69-S72 PolarHBondContact O-N 2.92Å; D69-S72 VanDerWaalsContact O-N 3.16Å; E70-S72 VanDerWaalsContact C-N 3.35Å; S72-N74 VanDerWaalsContact C-N 3.28Å; S72-N74 PolarHBondContact O-N 2.92Å; S72-S75 PolarHBondContact O-N 2.9Å; S72-S75 PolarHBondContact O-OG 2.9Å; S72-W78 WeakPolarHBondContact OG-CZ3 3.31Å |
| 73 | M | 53.7 | Low | 63 | Low | 106 Ų | 106 | 98.8 Ų | 98.8 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -23.1 | 177.5 | -76 | -154.2 | 167.9 | 0 | 0 | 114.4 | W78 | M73-W78 HydrophobicContact CE-CZ2 4.08Å; M73-W78 HydrophobicContact CG-CZ2 3.9Å |
| 74 | N | 57.7 | Low | 64.3 | Low | 147 Ų | 147 | 99.4 Ų | 99.4 | 79% | 0.786 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.1 | -176.6 | -81.2 | -17.7 | 0 | 0 | 0 | 114.3 | S72 | S72-N74 VanDerWaalsContact C-N 3.28Å; S72-N74 PolarHBondContact O-N 2.92Å |
| 75 | S | 65.5 | Low | 65.7 | Low | 42 Ų | 42 | 99.4 Ų | 99.4 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -81.6 | 136.1 | 178.5 | 74.1 | 0 | 0 | 0 | 0 | 111.7 | S72 C77 W78 | S72-S75 PolarHBondContact O-N 2.9Å; S72-S75 PolarHBondContact O-OG 2.9Å; S75-C77 PolarHBondContact O-N 2.93Å; S75-W78 WeakPolarHBondContact O-CB 3.26Å; S75-W78 PolarHBondContact O-N 3.11Å; S75-W78 WeakPolarHBondContact OG-CB 3.46Å; S75-W78 PolarHBondContact OG-N 2.82Å |
| 76 | P | 65.8 | Low | 66.8 | Low | 125 Ų | 125 | 98.7 Ų | 98.7 | 81% | 0.812 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.2 | 173.3 | -25.1 | 33.4 | 0 | 0 | 0 | 114 | ||
| 77 | C | 72.9 | Confident | 67.9 | Low | 40 Ų | 40 | 101.2 Ų | 101.2 | 27% | 0.27 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -15.8 | 178.3 | -69.7 | 0 | 0 | 0 | 0 | 114.2 | C56 S75 Q79 V80 K81 | C56-C77 WeakPolarHBondContact CA-SG 3.08Å; C56-C77 HydrophobicContact CB-CB 3.48Å; C56-C77 VanDerWaalsContact CB-CB 3.48Å; C56-C77 WeakPolarHBondContact CB-SG 3.37Å; C56-C77 WeakPolarHBondContact SG-CA 3.39Å; C56-C77 WeakPolarHBondContact SG-CB 3.49Å; C56-C77 CovalentContact SG-SG 2.04Å; C56-C77 PolarHBondContact SG-SG 2.89Å; S75-C77 PolarHBondContact O-N 2.93Å; C77-Q79 VanDerWaalsContact C-N 3.33Å; C77-Q79 PolarHBondContact O-N 2.97Å; C77-V80 PolarHBondContact O-N 3.05Å; C77-K81 PolarHBondContact O-N 2.8Å |
| 78 | W | 72.7 | Confident | 69.2 | Low | 44 Ų | 44 | 101.5 Ų | 101.5 | 17% | 0.167 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -55.4 | -47.7 | -178.8 | 174.5 | -116.6 | 0 | 0 | 0 | 112 | W65 S72 M73 S75 V80 K81 W82 | W65-W78 HydrophobicContact CE3-CE3 4.35Å; W65-W78 AromaticContact CE3-CZ3 3.98Å; W65-W78 HydrophobicContact CE3-CZ3 3.98Å; W65-W78 AromaticContact CZ3-CE3 3.89Å; W65-W78 HydrophobicContact CZ3-CE3 3.89Å; W65-W78 AromaticContact CZ3-CZ3 3.99Å; W65-W78 HydrophobicContact CZ3-CZ3 3.99Å; S72-W78 WeakPolarHBondContact OG-CZ3 3.31Å; M73-W78 HydrophobicContact CE-CZ2 4.08Å; M73-W78 HydrophobicContact CG-CZ2 3.9Å; S75-W78 WeakPolarHBondContact O-CB 3.26Å; S75-W78 PolarHBondContact O-N 3.11Å; S75-W78 WeakPolarHBondContact OG-CB 3.46Å; S75-W78 PolarHBondContact OG-N 2.82Å; W78-V80 VanDerWaalsContact C-N 3.35Å; W78-V80 PolarHBondContact O-N 3.01Å; W78-K81 PolarHBondContact O-N 3.39Å; W78-W82 VanDerWaalsContact O-CB 3.26Å; W78-W82 WeakPolarHBondContact O-CB 3.46Å; W78-W82 PolarHBondContact O-N 3.09Å |
| 79 | Q | 71.8 | Confident | 70.2 | Confident | 134 Ų | 134 | 102.3 Ų | 102.3 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -39 | -174.8 | -163.7 | 163.2 | 0.3 | 0 | 0 | 112.1 | C77 Q83 | C77-Q79 VanDerWaalsContact C-N 3.33Å; C77-Q79 PolarHBondContact O-N 2.97Å; Q79-Q83 WeakPolarHBondContact O-CB 3.36Å; Q79-Q83 VanDerWaalsContact O-CG 3.26Å; Q79-Q83 WeakPolarHBondContact O-CG 3.37Å; Q79-Q83 PolarHBondContact O-N 3Å |
| 80 | V | 75.8 | Confident | 71 | Confident | 61 Ų | 61 | 105.5 Ų | 105.5 | 37% | 0.37 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -45.8 | 177 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | F57 C77 W78 Q83 L84 | F57-V80 HydrophobicContact CE2-CG1 4.35Å; F57-V80 HydrophobicContact CZ-CG1 3.83Å; C77-V80 PolarHBondContact O-N 3.05Å; W78-V80 VanDerWaalsContact C-N 3.35Å; W78-V80 PolarHBondContact O-N 3.01Å; V80-Q83 PolarHBondContact O-N 2.94Å; V80-L84 WeakPolarHBondContact O-CB 3.24Å; V80-L84 PolarHBondContact O-N 2.88Å |
| 81 | K | 74.8 | Confident | 71.8 | Confident | 81 Ų | 81 | 101.9 Ų | 101.9 | 35% | 0.352 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 179.1 | -166.8 | 171.2 | -177.3 | 167 | 0 | 111.8 | W65 C77 W78 L84 R85 | W65-K81 HydrophobicContact CD2-CD 4.4Å; W65-K81 HydrophobicContact CE3-CD 4.37Å; W65-K81 HydrophobicContact CH2-CD 4.1Å; W65-K81 HydrophobicContact CZ2-CD 4.17Å; W65-K81 HydrophobicContact CZ3-CD 4.23Å; C77-K81 PolarHBondContact O-N 2.8Å; W78-K81 PolarHBondContact O-N 3.39Å; K81-L84 PolarHBondContact O-N 3.49Å; K81-R85 PolarHBondContact O-N 2.89Å |
| 82 | W | 75.8 | Confident | 72.8 | Confident | 131 Ų | 131 | 98.4 Ų | 98.4 | 50% | 0.496 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -46 | 177.6 | -171.9 | 94.6 | 0 | 0 | 0 | 112 | W78 L84 R85 Q86 | W78-W82 VanDerWaalsContact O-CB 3.26Å; W78-W82 WeakPolarHBondContact O-CB 3.46Å; W78-W82 PolarHBondContact O-N 3.09Å; W82-L84 VanDerWaalsContact C-N 3.35Å; W82-L84 PolarHBondContact O-N 2.96Å; W82-R85 PolarHBondContact O-N 2.66Å; W82-Q86 HydrophobicContact CD2-CG 3.9Å; W82-Q86 HydrophobicContact CE3-CG 3.8Å; W82-Q86 HydrophobicContact CH2-CG 3.71Å; W82-Q86 HydrophobicContact CZ2-CG 3.78Å; W82-Q86 HydrophobicContact CZ3-CG 3.72Å; W82-Q86 WeakPolarHBondContact O-CG 3.39Å; W82-Q86 PolarHBondContact O-N 2.78Å |
| 83 | Q | 77.1 | Confident | 73.6 | Confident | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 176.7 | -77.4 | -177.1 | -24.2 | 0 | 0 | 112.1 | Q79 V80 Q86 F87 | Q79-Q83 WeakPolarHBondContact O-CB 3.36Å; Q79-Q83 VanDerWaalsContact O-CG 3.26Å; Q79-Q83 WeakPolarHBondContact O-CG 3.37Å; Q79-Q83 PolarHBondContact O-N 3Å; V80-Q83 PolarHBondContact O-N 2.94Å; Q83-Q86 PolarHBondContact O-N 2.95Å; Q83-F87 WeakPolarHBondContact O-CB 3.46Å; Q83-F87 PolarHBondContact O-N 2.89Å |
| 84 | L | 80.3 | Confident | 74.2 | Confident | 82 Ų | 82 | 104 Ų | 104 | 43% | 0.429 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.1 | -177 | 65.6 | 0 | 0 | 0 | 111.5 | F57 V80 K81 W82 Q86 F87 V88 | F57-L84 HydrophobicContact CD1-CD2 4.46Å; F57-L84 HydrophobicContact CE1-CD2 3.49Å; F57-L84 VanDerWaalsContact CE1-CD2 3.49Å; F57-L84 HydrophobicContact CZ-CD2 3.91Å; V80-L84 WeakPolarHBondContact O-CB 3.24Å; V80-L84 PolarHBondContact O-N 2.88Å; K81-L84 PolarHBondContact O-N 3.49Å; W82-L84 VanDerWaalsContact C-N 3.35Å; W82-L84 PolarHBondContact O-N 2.96Å; L84-Q86 PolarHBondContact O-N 2.87Å; L84-F87 WeakPolarHBondContact O-CB 3.5Å; L84-F87 PolarHBondContact O-N 2.84Å; L84-V88 WeakPolarHBondContact O-CG2 3.43Å; L84-V88 PolarHBondContact O-N 2.89Å |
| 85 | R | 78 | Confident | 74.3 | Confident | 158 Ų | 158 | 100.5 Ų | 100.5 | 60% | 0.596 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 178.6 | -166.7 | 179.9 | -174.9 | -161.4 | 4.6 | 112.1 | K81 W82 F87 V88 R89 | K81-R85 PolarHBondContact O-N 2.89Å; W82-R85 PolarHBondContact O-N 2.66Å; R85-F87 VanDerWaalsContact C-N 3.33Å; R85-V88 PolarHBondContact O-N 3.02Å; R85-R89 WeakPolarHBondContact O-CB 3.3Å; R85-R89 PolarHBondContact O-N 2.82Å |
| 86 | Q | 79.4 | Confident | 74.2 | Confident | 68 Ų | 68 | 106 Ų | 106 | 32% | 0.318 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 174.8 | -73 | -64.4 | -25.3 | 0 | 0 | 111.8 | W82 Q83 L84 R89 K90 | W82-Q86 HydrophobicContact CD2-CG 3.9Å; W82-Q86 HydrophobicContact CE3-CG 3.8Å; W82-Q86 HydrophobicContact CH2-CG 3.71Å; W82-Q86 HydrophobicContact CZ2-CG 3.78Å; W82-Q86 HydrophobicContact CZ3-CG 3.72Å; W82-Q86 WeakPolarHBondContact O-CG 3.39Å; W82-Q86 PolarHBondContact O-N 2.78Å; Q83-Q86 PolarHBondContact O-N 2.95Å; L84-Q86 PolarHBondContact O-N 2.87Å; Q86-R89 PolarHBondContact O-N 2.99Å; Q86-K90 WeakPolarHBondContact O-CB 3.22Å; Q86-K90 WeakPolarHBondContact O-CG 3.46Å; Q86-K90 PolarHBondContact O-N 2.95Å |
| 87 | F | 80.5 | Confident | 74 | Confident | 130 Ų | 130 | 107 Ų | 107 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.2 | -45.9 | 176.4 | -172.3 | -97.4 | 0 | 0 | 0 | 112 | Q83 L84 R85 R89 K90 M91 | Q83-F87 WeakPolarHBondContact O-CB 3.46Å; Q83-F87 PolarHBondContact O-N 2.89Å; L84-F87 WeakPolarHBondContact O-CB 3.5Å; L84-F87 PolarHBondContact O-N 2.84Å; R85-F87 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 3.39Å; F87-K90 PolarHBondContact O-N 3.41Å; F87-M91 HydrophobicContact CD1-CG 4.11Å; F87-M91 HydrophobicContact CE1-CG 3.7Å; F87-M91 HydrophobicContact CE1-SD 4.49Å; F87-M91 HydrophobicContact CZ-CG 3.95Å; F87-M91 HydrophobicContact CZ-SD 4.3Å; F87-M91 WeakPolarHBondContact O-CB 3.48Å; F87-M91 WeakPolarHBondContact O-CG 3.24Å; F87-M91 PolarHBondContact O-N 3.28Å |
| 88 | V | 82.1 | Confident | 73 | Confident | 72 Ų | 72 | 111.4 Ų | 111.4 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L84 R85 K90 M91 I92 | L84-V88 WeakPolarHBondContact O-CG2 3.43Å; L84-V88 PolarHBondContact O-N 2.89Å; R85-V88 PolarHBondContact O-N 3.02Å; V88-K90 PolarHBondContact O-N 2.91Å; V88-M91 PolarHBondContact O-N 3.26Å; V88-I92 HydrophobicContact CG1-CD1 3.71Å; V88-I92 HydrophobicContact CG1-CG1 4.43Å; V88-I92 VanDerWaalsContact O-CG1 3.25Å; V88-I92 WeakPolarHBondContact O-CG1 3.17Å; V88-I92 PolarHBondContact O-N 2.82Å |
| 89 | R | 78.2 | Confident | 71.9 | Confident | 161 Ų | 161 | 113.1 Ų | 113.1 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 178 | -167.3 | 175 | -178 | 156.7 | 0.9 | 112.1 | R85 Q86 F87 L93 | R85-R89 WeakPolarHBondContact O-CB 3.3Å; R85-R89 PolarHBondContact O-N 2.82Å; Q86-R89 PolarHBondContact O-N 2.99Å; F87-R89 PolarHBondContact O-N 3.39Å; R89-L93 HydrophobicContact CG-CD1 4.18Å; R89-L93 WeakPolarHBondContact O-CB 3.32Å; R89-L93 VanDerWaalsContact O-CG 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.5Å; R89-L93 PolarHBondContact O-N 2.82Å |
| 90 | K | 79.9 | Confident | 70.6 | Confident | 145 Ų | 145 | 111.7 Ų | 111.7 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.9 | -41.2 | 175.1 | -81.5 | -174.2 | 176.2 | -174.8 | 0 | 112.6 | Q86 F87 V88 L93 R94 | Q86-K90 WeakPolarHBondContact O-CB 3.22Å; Q86-K90 WeakPolarHBondContact O-CG 3.46Å; Q86-K90 PolarHBondContact O-N 2.95Å; F87-K90 PolarHBondContact O-N 3.41Å; V88-K90 PolarHBondContact O-N 2.91Å; K90-L93 PolarHBondContact O-N 2.78Å; K90-R94 WeakPolarHBondContact O-CB 3.25Å; K90-R94 PolarHBondContact O-N 2.84Å |
| 91 | M | 74.5 | Confident | 68.8 | Low | 96 Ų | 96 | 113.5 Ų | 113.5 | 47% | 0.473 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 176 | -81.3 | -69.6 | -68.8 | 0 | 0 | 111 | F87 V88 L93 R94 T95 | F87-M91 HydrophobicContact CD1-CG 4.11Å; F87-M91 HydrophobicContact CE1-CG 3.7Å; F87-M91 HydrophobicContact CE1-SD 4.49Å; F87-M91 HydrophobicContact CZ-CG 3.95Å; F87-M91 HydrophobicContact CZ-SD 4.3Å; F87-M91 WeakPolarHBondContact O-CB 3.48Å; F87-M91 WeakPolarHBondContact O-CG 3.24Å; F87-M91 PolarHBondContact O-N 3.28Å; V88-M91 PolarHBondContact O-N 3.26Å; M91-L93 PolarHBondContact O-N 3.1Å; M91-R94 PolarHBondContact O-N 2.87Å; M91-T95 WeakPolarHBondContact O-CB 3.31Å; M91-T95 PolarHBondContact O-N 2.92Å; M91-T95 PolarHBondContact O-OG1 2.93Å |
| 92 | I | 76.1 | Confident | 67.1 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 56% | 0.559 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.6 | -47.4 | 176.7 | -67.8 | 165.8 | 0 | 0 | 0 | 111 | V88 Y96 | V88-I92 HydrophobicContact CG1-CD1 3.71Å; V88-I92 HydrophobicContact CG1-CG1 4.43Å; V88-I92 VanDerWaalsContact O-CG1 3.25Å; V88-I92 WeakPolarHBondContact O-CG1 3.17Å; V88-I92 PolarHBondContact O-N 2.82Å; I92-Y96 WeakPolarHBondContact O-CB 3.43Å; I92-Y96 PolarHBondContact O-N 2.88Å |
| 93 | L | 72.7 | Confident | 65 | Low | 92 Ų | 92 | 116 Ų | 116 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.2 | -37.2 | 179.6 | -74.3 | 168.8 | 0 | 0 | 0 | 112.8 | R89 K90 M91 Y96 E97 | R89-L93 HydrophobicContact CG-CD1 4.18Å; R89-L93 WeakPolarHBondContact O-CB 3.32Å; R89-L93 VanDerWaalsContact O-CG 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.5Å; R89-L93 PolarHBondContact O-N 2.82Å; K90-L93 PolarHBondContact O-N 2.78Å; M91-L93 PolarHBondContact O-N 3.1Å; L93-Y96 WeakPolarHBondContact O-CB 3.25Å; L93-Y96 PolarHBondContact O-N 3.14Å; L93-E97 PolarHBondContact O-N 3.47Å |
| 94 | R | 67.3 | Low | 63.2 | Low | 153 Ų | 153 | 116 Ų | 116 | 58% | 0.577 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.6 | -41.1 | 177.9 | -175 | 178.2 | 171.6 | 177.2 | 1.5 | 111.8 | K90 M91 Y96 E97 E98 | K90-R94 WeakPolarHBondContact O-CB 3.25Å; K90-R94 PolarHBondContact O-N 2.84Å; M91-R94 PolarHBondContact O-N 2.87Å; R94-Y96 PolarHBondContact O-N 3Å; R94-E97 PolarHBondContact O-N 3.46Å; R94-E98 HydrophobicContact CG-CG 4.5Å; R94-E98 IonicContact CZ-OE1 3Å; R94-E98 IonicContact NE-OE1 3.2Å; R94-E98 PolarHBondContact NE-OE1 2.86Å; R94-E98 IonicContact NH2-OE1 2.87Å; R94-E98 PolarHBondContact NH2-OE1 2.66Å; R94-E98 WeakPolarHBondContact O-CB 3.47Å; R94-E98 WeakPolarHBondContact O-CG 3.25Å; R94-E98 PolarHBondContact O-N 2.69Å |
| 95 | T | 60 | Low | 61.1 | Low | 72 Ų | 72 | 119 Ų | 119 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.6 | -31.7 | 172.3 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | M91 S99 | M91-T95 WeakPolarHBondContact O-CB 3.31Å; M91-T95 PolarHBondContact O-N 2.92Å; M91-T95 PolarHBondContact O-OG1 2.93Å; T95-S99 WeakPolarHBondContact O-CB 2.98Å; T95-S99 PolarHBondContact O-N 3.47Å; T95-S99 PolarHBondContact O-OG 3.13Å |
| 96 | Y | 62.7 | Low | 59 | Low | 158 Ų | 158 | 119.6 Ų | 119.6 | 62% | 0.62 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.2 | -42.1 | 172.4 | -175.1 | -94.1 | 0 | 0 | 0 | 112.7 | I92 L93 R94 S99 I100 | I92-Y96 WeakPolarHBondContact O-CB 3.43Å; I92-Y96 PolarHBondContact O-N 2.88Å; L93-Y96 WeakPolarHBondContact O-CB 3.25Å; L93-Y96 PolarHBondContact O-N 3.14Å; R94-Y96 PolarHBondContact O-N 3Å; Y96-S99 PolarHBondContact O-N 3.02Å; Y96-S99 PolarHBondContact O-OG 3.44Å; Y96-I100 HydrophobicContact CE1-CD1 4.4Å |
| 97 | E | 61.4 | Low | 57 | Low | 146 Ų | 146 | 127.9 Ų | 127.9 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70 | -36.4 | 176.6 | -77.5 | 179.5 | 167.6 | 0 | 0 | 113 | L93 R94 S99 | L93-E97 PolarHBondContact O-N 3.47Å; R94-E97 PolarHBondContact O-N 3.46Å; E97-S99 PolarHBondContact O-N 3.48Å |
| 98 | E | 52.7 | Low | 54.9 | Low | 132 Ų | 132 | 129.8 Ų | 129.8 | 62% | 0.617 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -10.6 | 177.1 | -72.5 | 172.8 | -177.2 | 0 | 0 | 113 | R94 | R94-E98 HydrophobicContact CG-CG 4.5Å; R94-E98 IonicContact CZ-OE1 3Å; R94-E98 IonicContact NE-OE1 3.2Å; R94-E98 PolarHBondContact NE-OE1 2.86Å; R94-E98 IonicContact NH2-OE1 2.87Å; R94-E98 PolarHBondContact NH2-OE1 2.66Å; R94-E98 WeakPolarHBondContact O-CB 3.47Å; R94-E98 WeakPolarHBondContact O-CG 3.25Å; R94-E98 PolarHBondContact O-N 2.69Å |
| 99 | S | 49 | Very low | 52.4 | Low | 81 Ų | 81 | 133.5 Ų | 133.5 | 57% | 0.566 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 5.2 | 179.8 | 52.6 | 0 | 0 | 0 | 0 | 115 | T95 Y96 E97 P101 | T95-S99 WeakPolarHBondContact O-CB 2.98Å; T95-S99 PolarHBondContact O-N 3.47Å; T95-S99 PolarHBondContact O-OG 3.13Å; Y96-S99 PolarHBondContact O-N 3.02Å; Y96-S99 PolarHBondContact O-OG 3.44Å; E97-S99 PolarHBondContact O-N 3.48Å; S99-P101 WeakPolarHBondContact O-CD 3.48Å |
| 100 | I | 44.2 | Very low | 50.7 | Low | 103 Ų | 103 | 134.1 Ų | 134.1 | 53% | 0.528 | 67% | 0.669 | S | S | . | * | trans | -83.1 | 113.5 | 172.9 | -58.6 | 176.3 | 0 | 0 | 0 | 109.6 | Y96 T102 | Y96-I100 HydrophobicContact CE1-CD1 4.4Å; I100-T102 PolarHBondContact O-N 2.94Å | ||
| 101 | P | 38 | Very low | 48.6 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | trans | -68.5 | 121.8 | 168.8 | 27.7 | -31.1 | 0 | 0 | 0 | 109.4 | S99 T103 | S99-P101 WeakPolarHBondContact O-CD 3.48Å; P101-T103 VanDerWaalsContact C-N 3.3Å; P101-T103 PolarHBondContact O-N 3.12Å | ||
| 102 | T | 39 | Very low | 47.1 | Very low | 144 Ų | 144 | 133 Ų | 133 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | trans | -64.8 | 89.3 | 170.6 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | I100 | I100-T102 PolarHBondContact O-N 2.94Š| ||
| 103 | T | 32.4 | Very low | 45.6 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | trans | -133.7 | 101.9 | 165.6 | 14.5 | 0 | 0 | 0 | 0 | 108.1 | P101 | P101-T103 VanDerWaalsContact C-N 3.3Å; P101-T103 PolarHBondContact O-N 3.12Å | ||
| 104 | S | 38 | Very low | 43.9 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | -64.3 | 125.5 | 164.1 | 161.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 105 | E | 37.7 | Very low | 42.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | -176.9 | 135.8 | 117.3 | -99.6 | -172.8 | -167.6 | 0 | 0 | 114.8 | |||||
| 106 | K | 32.9 | Very low | 41.5 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | trans | 76.3 | 98.6 | 147.5 | -74.1 | 171.1 | -176.7 | 136 | 0 | 121.2 | ||||
| 107 | R | 37.4 | Very low | 40.6 | Very low | 242 Ų | 242 | 148.5 Ų | 148.5 | 91% | 0.913 | 75% | 0.753 | S | S | * | * | trans | -40.3 | 127.7 | 139.6 | -81.8 | 176.2 | 164.7 | -178.9 | -4.1 | 111.8 | ||||
| 108 | Q | 35.9 | Very low | 40.1 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | 166.8 | 120.6 | 114.7 | -94.5 | 174.2 | -19.2 | 0 | 0 | 110 | |||||
| 109 | N | 30.7 | Very low | 40.4 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 148.7 | 120.4 | 135.5 | -76.1 | -37.3 | 0 | 0 | 0 | 109.5 | P111 | N109-P111 WeakPolarHBondContact O-CD 3.29Š| ||
| 110 | I | 42 | Very low | 41.9 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 120.8 | 172.5 | -62.6 | 166.4 | 0 | 0 | 0 | 107 | ||
| 111 | P | 37 | Very low | 44 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -101 | 158.8 | 156.7 | 2.8 | 19.9 | 0 | 0 | 0 | 110.3 | N109 | N109-P111 WeakPolarHBondContact O-CD 3.29Š|
| 112 | P | 41 | Very low | 46.8 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71 | 142.5 | -159.5 | 28.9 | -34.1 | 0 | 0 | 0 | 112.7 | V114 | P112-V114 PolarHBondContact O-N 2.87Š|
| 113 | L | 44.6 | Very low | 49.5 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | trans | -3.7 | 85.5 | 163.2 | -154.5 | 94.1 | 0 | 0 | 0 | 114 | R115 | L113-R115 PolarHBondContact O-N 2.88Š| ||
| 114 | V | 38 | Very low | 52.5 | Low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | trans | -67.8 | 103.2 | 167.4 | 175.4 | 0 | 0 | 0 | 0 | 106.1 | P112 E116 | P112-V114 PolarHBondContact O-N 2.87Å; V114-E116 PolarHBondContact O-N 2.97Å; V114-E116 VanDerWaalsContact O-N 3.15Å | ||
| 115 | R | 37 | Very low | 55.3 | Low | 223 Ų | 223 | 133.3 Ų | 133.3 | 84% | 0.842 | 65% | 0.649 | S | S | * | * | trans | -20.5 | 114.6 | 159.7 | -178.5 | 178.5 | -70.5 | -154.7 | -3.1 | 109.7 | L113 R117 | L113-R115 PolarHBondContact O-N 2.88Å; R115-R117 VanDerWaalsContact C-N 3.3Å; R115-R117 PolarHBondContact O-N 3.01Å | ||
| 116 | E | 39.1 | Very low | 58.1 | Low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 62% | 0.616 | S | S | * | * | trans | -44.3 | 95.6 | 176.8 | -77.1 | 178.9 | 147.6 | 0 | 0 | 109.4 | V114 G118 | V114-E116 PolarHBondContact O-N 2.97Å; V114-E116 VanDerWaalsContact O-N 3.15Å; E116-G118 VanDerWaalsContact C-N 3.26Å; E116-G118 PolarHBondContact O-N 2.81Å | ||
| 117 | R | 44.4 | Very low | 61.1 | Low | 199 Ų | 199 | 118.3 Ų | 118.3 | 75% | 0.751 | 58% | 0.581 | S | S | * | * | trans | -77.6 | 94.2 | 169.9 | -151.1 | -178 | -67 | -131.4 | 4.2 | 101.9 | R115 L119 | R115-R117 VanDerWaalsContact C-N 3.3Å; R115-R117 PolarHBondContact O-N 3.01Å; R117-L119 PolarHBondContact O-N 3.39Å | ||
| 118 | G | 51.4 | Low | 63.7 | Low | 62 Ų | 62 | 106.8 Ų | 106.8 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | trans | -44.3 | 141.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E116 Q120 | E116-G118 VanDerWaalsContact C-N 3.26Å; E116-G118 PolarHBondContact O-N 2.81Å; G118-Q120 PolarHBondContact O-N 3.27Å | ||
| 119 | L | 59 | Low | 66.1 | Low | 171 Ų | 171 | 100.3 Ų | 100.3 | 90% | 0.895 | 51% | 0.51 | S | S | * | . | trans | -33.3 | 113 | -174.2 | -110.2 | 83.6 | 0 | 0 | 0 | 110.8 | R117 R121 | R117-L119 PolarHBondContact O-N 3.39Å; L119-R121 PolarHBondContact O-N 3.3Å | ||
| 120 | Q | 79.4 | Confident | 68 | Low | 119 Ų | 119 | 97 Ų | 97 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | trans | -65 | 102.6 | -177.7 | -129.6 | 169.8 | -31.9 | 0 | 0 | 107.3 | G118 V122 | G118-Q120 PolarHBondContact O-N 3.27Å; Q120-V122 VanDerWaalsContact O-CG2 3.3Å; Q120-V122 WeakPolarHBondContact O-CG2 3.48Å; Q120-V122 PolarHBondContact O-N 2.86Å | ||
| 121 | R | 89.8 | Confident | 68.9 | Low | 201 Ų | 201 | 99.6 Ų | 99.6 | 76% | 0.758 | 50% | 0.497 | S | S | * | . | trans | -60.3 | 127.4 | -174.3 | -58.5 | 171.1 | 80.7 | -175.9 | 7.1 | 109.3 | L119 N165 N166 | L119-R121 PolarHBondContact O-N 3.3Å; R121-N165 WeakPolarHBondContact CB-ND2 3.42Å; R121-N165 PolarHBondContact O-ND2 3.28Å; R121-N166 PolarHBondContact O-ND2 2.84Å | ||
| 122 | V | 95.8 | Very high | 69.5 | Low | 11 Ų | 11 | 106 Ų | 106 | 7% | 0.067 | 51% | 0.508 | C | S | . | . | trans | -113.7 | 99.6 | 179.9 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | Q120 N166 L167 Q178 Y182 F286 L287 | Q120-V122 VanDerWaalsContact O-CG2 3.3Å; Q120-V122 WeakPolarHBondContact O-CG2 3.48Å; Q120-V122 PolarHBondContact O-N 2.86Å; V122-N166 HydrophobicContact CB-CB 4.35Å; V122-N166 HydrophobicContact CG1-CB 4.14Å; V122-N166 HydrophobicContact CG2-CB 3.98Å; V122-L167 HydrophobicContact CG1-CD1 3.55Å; V122-Q178 HydrophobicContact CG2-CG 4.47Å; V122-Y182 HydrophobicContact CG1-CE1 3.8Å; V122-Y182 WeakPolarHBondContact CG1-OH 3.24Å; V122-F286 WeakPolarHBondContact O-CA 3.49Å; V122-L287 HydrophobicContact CB-CB 3.7Å; V122-L287 HydrophobicContact CB-CD2 4.05Å; V122-L287 HydrophobicContact CG1-CB 4.07Å; V122-L287 HydrophobicContact CG2-CB 4.46Å; V122-L287 HydrophobicContact CG2-CD2 3.88Å; V122-L287 PolarHBondContact O-N 3.44Å | ||
| 123 | A | 96.1 | Very high | 69.9 | Low | 20 Ų | 20 | 109.4 Ų | 109.4 | 17% | 0.165 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 150.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F163 N165 A285 F286 | A123-F163 HydrophobicContact CB-CE2 3.83Å; A123-F163 HydrophobicContact CB-CZ 4.17Å; A123-F163 WeakPolarHBondContact O-CE2 3.4Å; A123-N165 PolarHBondContact N-O 3.33Å; A123-N165 PolarHBondContact O-N 3.07Å; A123-A285 CarbonylContact C-O 3.45Å; A123-A285 VanDerWaalsContact CA-O 3.28Å; A123-A285 WeakPolarHBondContact CA-O 3.46Å; A123-F286 HydrophobicContact CB-CB 3.7Å |
| 124 | A | 95.9 | Very high | 69.6 | Low | 1 Ų | 1 | 105.6 Ų | 105.6 | 1% | 0.008 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F163 L164 L167 L174 G284 A285 | A124-F163 WeakPolarHBondContact CA-O 3.13Å; A124-L164 HydrophobicContact CB-CD2 3.72Å; A124-L167 HydrophobicContact CB-CB 4.27Å; A124-L167 HydrophobicContact CB-CD1 4.36Å; A124-L167 HydrophobicContact CB-CD2 4.1Å; A124-L174 HydrophobicContact CB-CD1 4.07Å; A124-L174 HydrophobicContact CB-CD2 3.83Å; A124-G284 CarbonylContact O-C 3.44Å; A124-G284 WeakPolarHBondContact O-CA 3.45Å; A124-A285 PolarHBondContact N-O 3.46Å; A124-A285 PolarHBondContact O-N 2.89Å |
| 125 | H | 96.5 | Very high | 69.7 | Low | 35 Ų | 35 | 106.3 Ų | 106.3 | 16% | 0.162 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 119.2 | 164.5 | -176.3 | 93 | 0 | 0 | 0 | 107.3 | T127 H161 S162 F163 Y185 F282 | H125-T127 WeakPolarHBondContact NE2-CG2 3.45Å; H125-H161 PolarHBondContact CD2-O 3.45Å; H125-S162 CarbonylContact O-C 3.58Å; H125-S162 WeakPolarHBondContact O-CA 3.27Å; H125-S162 WeakPolarHBondContact O-CB 3.47Å; H125-F163 HydrophobicContact CB-CD1 3.96Å; H125-F163 HydrophobicContact CB-CE1 3.59Å; H125-F163 HydrophobicContact CB-CZ 4.23Å; H125-F163 PolarHBondContact N-O 3.03Å; H125-F163 PolarHBondContact O-N 3.16Å; H125-F163 VanDerWaalsContact O-O 3.09Å; H125-Y185 AromaticContact ND1-CE2 3.75Å; H125-Y185 AromaticContact ND1-CZ 3.75Å; H125-Y185 PolarHBondContact ND1-OH 3.25Å; H125-F282 AromaticContact CE1-CD2 3.64Å; H125-F282 AromaticContact CE1-CG 3.68Å |
| 126 | I | 95.8 | Very high | 69.9 | Low | 1 Ų | 1 | 100.5 Ų | 100.5 | 1% | 0.005 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.4 | 179.8 | 57.5 | 179.9 | 0 | 0 | 0 | 109.1 | W154 L164 L169 L174 F282 F283 | I126-W154 HydrophobicContact CB-CB 4.3Å; I126-W154 HydrophobicContact CD1-CB 3.69Å; I126-W154 HydrophobicContact CD1-CD2 4.4Å; I126-W154 HydrophobicContact CD1-CG 3.75Å; I126-W154 HydrophobicContact CG1-CB 4.13Å; I126-W154 HydrophobicContact CG1-CD2 4.49Å; I126-W154 HydrophobicContact CG1-CG 4.23Å; I126-L164 HydrophobicContact CG2-CD2 3.88Å; I126-L164 HydrophobicContact CG2-CG 4.18Å; I126-L169 HydrophobicContact CD1-CD1 3.45Å; I126-L169 VanDerWaalsContact CD1-CD1 3.45Å; I126-L169 HydrophobicContact CD1-CD2 4.26Å; I126-L169 HydrophobicContact CD1-CG 4.39Å; I126-L174 HydrophobicContact CD1-CD1 4.42Å; I126-L174 HydrophobicContact CD1-CD2 3.96Å; I126-L174 HydrophobicContact CD1-CG 4.03Å; I126-F282 CarbonylContact O-C 3.5Å; I126-F282 VanDerWaalsContact O-CA 3.27Å; I126-F282 WeakPolarHBondContact O-CA 3.27Å; I126-F282 WeakPolarHBondContact O-CB 3.3Å; I126-F283 HydrophobicContact CD1-CB 4.43Å; I126-F283 HydrophobicContact CD1-CD1 4.04Å; I126-F283 HydrophobicContact CG1-CB 4.02Å; I126-F283 HydrophobicContact CG1-CD1 4.46Å; I126-F283 VanDerWaalsContact CG1-O 3.23Å; I126-F283 WeakPolarHBondContact CG1-O 3.28Å; I126-F283 PolarHBondContact N-O 2.94Å; I126-F283 PolarHBondContact O-N 2.8Å |
| 127 | T | 95.3 | Very high | 69.9 | Low | 0 Ų | 0 | 96.4 Ų | 96.4 | 0% | 0 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 164.1 | -172.8 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | H125 W154 E155 H161 Q278 F282 | H125-T127 WeakPolarHBondContact NE2-CG2 3.45Å; T127-W154 WeakPolarHBondContact O-CA 3.44Å; T127-E155 PolarHBondContact O-N 2.88Å; T127-H161 HydrophobicContact CG2-CB 4.14Å; T127-Q278 WeakPolarHBondContact CB-O 3.41Å; T127-Q278 HydrophobicContact CG2-CB 4.38Å; T127-Q278 VanDerWaalsContact CG2-O 3.26Å; T127-Q278 WeakPolarHBondContact CG2-O 3.49Å; T127-F282 HydrophobicContact CG2-CB 4.17Å |
| 128 | G | 92.3 | Very high | 70 | Confident | 0 Ų | 0 | 91.8 Ų | 91.8 | 0% | 0 | 47% | 0.47 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 157.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | M276 Q278 S281 | G128-M276 CarbonylContact C-O 3.59Å; G128-M276 VanDerWaalsContact CA-O 3.23Å; G128-M276 WeakPolarHBondContact CA-O 3.33Å; G128-Q278 WeakPolarHBondContact O-CG 3.46Å; G128-S281 PolarHBondContact N-O 2.89Å |
| 129 | T | 86.1 | Confident | 69.3 | Low | 35 Ų | 35 | 94.5 Ų | 94.5 | 22% | 0.215 | 48% | 0.476 | C | S | . | . | trans | -106.5 | 111.3 | 174.5 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | R131 A153 E155 M276 | T129-R131 PolarHBondContact O-N 3.27Å; T129-A153 PolarHBondContact N-O 3.18Å; T129-A153 PolarHBondContact OG1-O 3.39Å; T129-E155 HydrophobicContact CG2-CB 3.55Å; T129-E155 HydrophobicContact CG2-CG 4.17Å; T129-E155 WeakPolarHBondContact CG2-OE2 3.29Å; T129-M276 CarbonylContact C-O 3.55Å; T129-M276 PolarHBondContact N-O 2.81Å | ||
| 130 | S | 71.7 | Confident | 68.9 | Low | 82 Ų | 82 | 97 Ų | 97 | 57% | 0.573 | 47% | 0.474 | S | S | * | . | trans | -70.4 | -12.2 | 176.5 | -163.9 | 0 | 0 | 0 | 0 | 112.8 | R132 D277 | S130-R132 PolarHBondContact O-N 3.05Å; S130-R132 VanDerWaalsContact O-N 3.1Å; S130-D277 WeakPolarHBondContact CB-OD1 3.37Å; S130-D277 PolarHBondContact OG-OD1 3.35Å | ||
| 131 | R | 60.4 | Low | 67.3 | Low | 227 Ų | 227 | 95.1 Ų | 95.1 | 86% | 0.857 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -61.5 | 118.5 | 174.5 | -85.7 | -174 | 175.8 | -169.5 | -0.9 | 109.3 | T129 R133 | T129-R131 PolarHBondContact O-N 3.27Å; R131-R133 PolarHBondContact O-N 2.84Å |
| 132 | R | 49.8 | Very low | 65.3 | Low | 238 Ų | 238 | 95.3 Ų | 95.3 | 90% | 0.898 | 48% | 0.48 | S | S | * | . | trans | -21.3 | 121.5 | 177.1 | -75.1 | -173.7 | 177 | -173 | -0.6 | 111.5 | S130 S134 | S130-R132 PolarHBondContact O-N 3.05Å; S130-R132 VanDerWaalsContact O-N 3.1Å; R132-S134 VanDerWaalsContact C-N 3.31Å; R132-S134 PolarHBondContact O-N 2.78Å | ||
| 133 | R | 49.8 | Very low | 63.1 | Low | 185 Ų | 185 | 101.4 Ų | 101.4 | 70% | 0.698 | 51% | 0.512 | S | S | * | . | trans | -33 | 95.6 | 168.9 | -74.5 | -178.3 | -173.6 | 160.6 | 6.8 | 109.1 | R131 T135 Q272 | R131-R133 PolarHBondContact O-N 2.84Å; R133-T135 PolarHBondContact O-N 2.94Å; R133-T135 VanDerWaalsContact O-N 3.11Å; R133-Q272 PolarHBondContact NH2-O 3.2Å; R133-Q272 VanDerWaalsContact NH2-O 3.12Å | ||
| 134 | S | 38.6 | Very low | 61.6 | Low | 95 Ų | 95 | 104.5 Ų | 104.5 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | trans | -66.2 | 117.3 | 164.9 | 55 | 0 | 0 | 0 | 0 | 103.5 | R132 V136 | R132-S134 VanDerWaalsContact C-N 3.31Å; R132-S134 PolarHBondContact O-N 2.78Å; S134-V136 PolarHBondContact O-N 3.02Å | ||
| 135 | T | 38.9 | Very low | 61.1 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 82% | 0.822 | 55% | 0.553 | S | S | * | * | trans | -64.9 | 41.3 | 178.5 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | R133 S137 | R133-T135 PolarHBondContact O-N 2.94Å; R133-T135 VanDerWaalsContact O-N 3.11Å; T135-S137 PolarHBondContact O-N 3.44Å; T135-S137 VanDerWaalsContact O-N 3.11Å | ||
| 136 | V | 41.2 | Very low | 60.8 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | trans | -86.2 | 74.3 | 166.8 | -170.2 | 0 | 0 | 0 | 0 | 105.8 | S134 I138 | S134-V136 PolarHBondContact O-N 3.02Å; V136-I138 HydrophobicContact CG1-CG1 4.04Å; V136-I138 PolarHBondContact O-N 2.92Å | ||
| 137 | S | 40.1 | Very low | 60.7 | Low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 58% | 0.576 | S | S | * | * | trans | -62.5 | 89.7 | 157.3 | 51.2 | 0 | 0 | 0 | 0 | 106.3 | T135 | T135-S137 PolarHBondContact O-N 3.44Å; T135-S137 VanDerWaalsContact O-N 3.11Å | ||
| 138 | I | 45.3 | Very low | 60.6 | Low | 101 Ų | 101 | 116.9 Ų | 116.9 | 52% | 0.518 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 133.2 | 167.5 | -62 | 175.3 | 0 | 0 | 0 | 106 | V136 R140 | V136-I138 HydrophobicContact CG1-CG1 4.04Å; V136-I138 PolarHBondContact O-N 2.92Å; I138-R140 PolarHBondContact O-N 2.93Å |
| 139 | P | 38.5 | Very low | 60.8 | Low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 118.8 | -174.9 | -24.7 | 32 | 0 | 0 | 0 | 109.9 | S141 | P139-S141 PolarHBondContact O-N 3.47Å; P139-S141 VanDerWaalsContact O-N 3.07Å |
| 140 | R | 50.4 | Low | 61.3 | Low | 224 Ų | 224 | 121.6 Ų | 121.6 | 85% | 0.845 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -53 | 118 | 175.9 | -89.7 | 160.8 | 83.4 | 178 | 6.1 | 107.9 | I138 K142 | I138-R140 PolarHBondContact O-N 2.93Å; R140-K142 PolarHBondContact O-N 3.28Å |
| 141 | S | 45.7 | Very low | 62.4 | Low | 80 Ų | 80 | 117.8 Ų | 117.8 | 56% | 0.559 | 59% | 0.588 | S | S | * | * | trans | -59 | 106.8 | 155.4 | 166.8 | 0 | 0 | 0 | 0 | 106.2 | P139 N143 | P139-S141 PolarHBondContact O-N 3.47Å; P139-S141 VanDerWaalsContact O-N 3.07Å; S141-N143 PolarHBondContact O-N 3.45Å | ||
| 142 | K | 47.7 | Very low | 63.9 | Low | 204 Ų | 204 | 110.7 Ų | 110.7 | 89% | 0.887 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 2.2 | 179.4 | -79.3 | -177.6 | 174.7 | 179.9 | 0 | 113.6 | R140 | R140-K142 PolarHBondContact O-N 3.28Š|
| 143 | N | 49.6 | Very low | 65.8 | Low | 139 Ų | 139 | 101.1 Ų | 101.1 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 10.7 | -169.7 | -67.8 | -9.8 | 0 | 0 | 0 | 114.3 | S141 K145 | S141-N143 PolarHBondContact O-N 3.45Å; N143-K145 PolarHBondContact O-N 3Å |
| 144 | E | 63.7 | Low | 67.9 | Low | 86 Ų | 86 | 92.9 Ų | 92.9 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | trans | -78.7 | 104.1 | 179.9 | -140.5 | 168.8 | -161.1 | 0 | 0 | 109.8 | A146 K150 | E144-A146 PolarHBondContact O-N 2.93Å; E144-A146 VanDerWaalsContact O-N 3.14Å; E144-K150 IonicContact OE1-NZ 2.81Å; E144-K150 PolarHBondContact OE1-NZ 2.87Å; E144-K150 IonicContact OE2-NZ 3.99Å | ||
| 145 | K | 85.3 | Confident | 70.2 | Confident | 142 Ų | 142 | 90.5 Ų | 90.5 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | trans | -69.9 | 1.5 | 178.4 | -63.5 | -169.2 | -166.3 | 157.9 | 0 | 114.4 | N143 D226 | N143-K145 PolarHBondContact O-N 3Å; K145-D226 HydrophobicContact CD-CB 4.41Å; K145-D226 WeakPolarHBondContact CD-OD1 3.37Å; K145-D226 WeakPolarHBondContact CE-OD1 3.16Å; K145-D226 IonicContact NZ-OD1 2.66Å; K145-D226 PolarHBondContact NZ-OD1 3.4Å; K145-D226 IonicContact NZ-OD2 3.55Å; K145-D226 PolarHBondContact NZ-OD2 2.88Å | ||
| 146 | A | 90.3 | Very high | 71.8 | Confident | 18 Ų | 18 | 88 Ų | 88 | 15% | 0.149 | 47% | 0.471 | C | S | . | . | trans | -66.9 | 141 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E144 Y219 P227 F265 | E144-A146 PolarHBondContact O-N 2.93Å; E144-A146 VanDerWaalsContact O-N 3.14Å; A146-Y219 HydrophobicContact CB-CD1 4.45Å; A146-Y219 HydrophobicContact CB-CD2 4.22Å; A146-Y219 HydrophobicContact CB-CE1 4.16Å; A146-Y219 HydrophobicContact CB-CE2 3.9Å; A146-Y219 HydrophobicContact CB-CG 4.49Å; A146-P227 HydrophobicContact CB-CG 3.82Å; A146-F265 HydrophobicContact CB-CE2 4.23Å; A146-F265 HydrophobicContact CB-CZ 4.21Å | ||
| 147 | L | 94.8 | Very high | 73.1 | Confident | 96 Ų | 96 | 85.4 Ų | 85.4 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -76.4 | 144.7 | 173.9 | -62.1 | 174.4 | 0 | 0 | 0 | 109.8 | Y217 Y219 S267 | L147-Y217 HydrophobicContact CB-CD2 4.39Å; L147-Y217 HydrophobicContact CB-CE1 4.1Å; L147-Y217 HydrophobicContact CB-CE2 3.96Å; L147-Y217 HydrophobicContact CD1-CE1 3.97Å; L147-Y219 WeakPolarHBondContact CB-OH 3.5Å; L147-Y219 PolarHBondContact N-OH 2.98Å; L147-S267 WeakPolarHBondContact O-CB 3.42Å; L147-S267 PolarHBondContact O-OG 3.02Å |
| 148 | G | 93.6 | Very high | 74.3 | Confident | 41 Ų | 41 | 89.9 Ų | 89.9 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | S | Bend | trans | 80.7 | -162.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S267 V268 | G148-S267 WeakPolarHBondContact CA-OG 3.47Å; G148-V268 CarbonylContact C-O 2.98Å; G148-V268 VanDerWaalsContact CA-O 3.26Å; G148-V268 WeakPolarHBondContact CA-O 3.38Å |
| 149 | Q | 95.3 | Very high | 75.2 | Confident | 88 Ų | 88 | 93.4 Ų | 93.4 | 41% | 0.411 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.1 | 175.9 | -65.1 | 177.5 | 74.4 | 0 | 0 | 108.9 | I151 S267 V268 E271 | Q149-I151 PolarHBondContact O-N 3.27Å; Q149-S267 PolarHBondContact N-OG 2.98Å; Q149-S267 VanDerWaalsContact N-OG 3.13Å; Q149-S267 CarbonylContact O-C 3.53Å; Q149-S267 VanDerWaalsContact O-CA 3.31Å; Q149-S267 WeakPolarHBondContact O-CA 3.43Å; Q149-S267 PolarHBondContact O-OG 2.84Å; Q149-V268 PolarHBondContact N-O 3.21Å; Q149-V268 PolarHBondContact O-N 2.88Å; Q149-E271 HydrophobicContact CB-CB 4.1Å; Q149-E271 WeakPolarHBondContact CB-OE2 3.29Å; Q149-E271 PolarHBondContact OE1-OE2 3.08Å |
| 150 | K | 96.1 | Very high | 76.8 | Confident | 45 Ų | 45 | 91.1 Ų | 91.1 | 20% | 0.196 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 125.6 | 178.6 | 178.1 | 168.2 | 70.9 | -165.9 | 0 | 110.2 | E144 N152 E173 F265 V266 | E144-K150 IonicContact OE1-NZ 2.81Å; E144-K150 PolarHBondContact OE1-NZ 2.87Å; E144-K150 IonicContact OE2-NZ 3.99Å; K150-N152 PolarHBondContact O-N 3.29Å; K150-E173 HydrophobicContact CD-CG 4.47Å; K150-E173 IonicContact NZ-OE1 2.74Å; K150-E173 PolarHBondContact NZ-OE1 2.98Å; K150-F265 HydrophobicContact CB-CD2 4.22Å; K150-F265 HydrophobicContact CB-CE2 4.43Å; K150-F265 HydrophobicContact CD-CB 4Å; K150-F265 HydrophobicContact CD-CD1 4.4Å; K150-F265 HydrophobicContact CD-CD2 3.45Å; K150-F265 VanDerWaalsContact CD-CD2 3.45Å; K150-F265 HydrophobicContact CD-CE2 3.93Å; K150-F265 HydrophobicContact CD-CG 3.7Å; K150-F265 HydrophobicContact CG-CB 4.32Å; K150-F265 HydrophobicContact CG-CD2 3.65Å; K150-F265 HydrophobicContact CG-CE2 4.27Å; K150-F265 HydrophobicContact CG-CG 4.23Å; K150-V266 WeakPolarHBondContact CA-O 3.4Å |
| 151 | I | 94.9 | Very high | 78.3 | Confident | 3 Ų | 3 | 86 Ų | 86 | 2% | 0.015 | 45% | 0.453 | C | S | . | . | trans | -75.6 | 117 | 174.4 | -58.4 | 176.4 | 0 | 0 | 0 | 108.4 | Q149 W154 T188 V266 V268 M276 | Q149-I151 PolarHBondContact O-N 3.27Å; I151-W154 HydrophobicContact CB-CZ2 3.78Å; I151-W154 HydrophobicContact CD1-CH2 4.16Å; I151-W154 HydrophobicContact CD1-CZ2 3.9Å; I151-W154 HydrophobicContact CG1-CZ2 4.45Å; I151-W154 HydrophobicContact CG2-CD2 4.1Å; I151-W154 HydrophobicContact CG2-CH2 4.07Å; I151-W154 HydrophobicContact CG2-CZ2 3.51Å; I151-W154 PolarHBondContact O-NE1 3.35Å; I151-W154 VanDerWaalsContact O-NE1 3.16Å; I151-T188 HydrophobicContact CD1-CG2 3.84Å; I151-V266 HydrophobicContact CD1-CG1 4.13Å; I151-V266 PolarHBondContact N-O 3.09Å; I151-V268 HydrophobicContact CD1-CG1 3.8Å; I151-V268 HydrophobicContact CD1-CG2 4.02Å; I151-V268 HydrophobicContact CG1-CG1 4.45Å; I151-V268 HydrophobicContact CG1-CG2 3.97Å; I151-M276 HydrophobicContact CG2-CE 3.68Å; I151-M276 HydrophobicContact CG2-SD 4.26Å | ||
| 152 | N | 92.1 | Very high | 80.5 | Confident | 77 Ų | 77 | 82.5 Ų | 82.5 | 41% | 0.412 | 43% | 0.428 | S | S | . | . | trans | -107.2 | -12.9 | 179.7 | 63.7 | 9.4 | 0 | 0 | 0 | 114 | K150 W154 | K150-N152 PolarHBondContact O-N 3.29Å; N152-W154 VanDerWaalsContact C-N 3.26Å; N152-W154 PolarHBondContact O-N 3.49Å; N152-W154 VanDerWaalsContact O-N 3.14Å | ||
| 153 | A | 90.1 | Very high | 82.6 | Confident | 38 Ų | 38 | 77.6 Ų | 77.6 | 31% | 0.314 | 41% | 0.407 | S | S | . | . | trans | -89.2 | 41.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T129 M276 | T129-A153 PolarHBondContact N-O 3.18Å; T129-A153 PolarHBondContact OG1-O 3.39Å; A153-M276 HydrophobicContact CB-CE 4.12Å; A153-M276 VanDerWaalsContact O-CE 3.31Å; A153-M276 WeakPolarHBondContact O-CE 3.31Å | ||
| 154 | W | 93.3 | Very high | 84.7 | Confident | 11 Ų | 11 | 72 Ų | 72 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 141.4 | 173.5 | -55.8 | 117.1 | 0 | 0 | 0 | 111.2 | I126 T127 I151 N152 L169 V266 M276 F283 | I126-W154 HydrophobicContact CB-CB 4.3Å; I126-W154 HydrophobicContact CD1-CB 3.69Å; I126-W154 HydrophobicContact CD1-CD2 4.4Å; I126-W154 HydrophobicContact CD1-CG 3.75Å; I126-W154 HydrophobicContact CG1-CB 4.13Å; I126-W154 HydrophobicContact CG1-CD2 4.49Å; I126-W154 HydrophobicContact CG1-CG 4.23Å; T127-W154 WeakPolarHBondContact O-CA 3.44Å; I151-W154 HydrophobicContact CB-CZ2 3.78Å; I151-W154 HydrophobicContact CD1-CH2 4.16Å; I151-W154 HydrophobicContact CD1-CZ2 3.9Å; I151-W154 HydrophobicContact CG1-CZ2 4.45Å; I151-W154 HydrophobicContact CG2-CD2 4.1Å; I151-W154 HydrophobicContact CG2-CH2 4.07Å; I151-W154 HydrophobicContact CG2-CZ2 3.51Å; I151-W154 PolarHBondContact O-NE1 3.35Å; I151-W154 VanDerWaalsContact O-NE1 3.16Å; N152-W154 VanDerWaalsContact C-N 3.26Å; N152-W154 PolarHBondContact O-N 3.49Å; N152-W154 VanDerWaalsContact O-N 3.14Å; W154-L169 HydrophobicContact CB-CD2 3.8Å; W154-V266 HydrophobicContact CZ2-CB 4.12Å; W154-V266 HydrophobicContact CZ2-CG2 4.24Å; W154-M276 HydrophobicContact CE3-CE 4.05Å; W154-M276 HydrophobicContact CZ3-CE 4.04Å; W154-F283 HydrophobicContact CD2-CB 4.48Å; W154-F283 HydrophobicContact CH2-CB 4.24Å; W154-F283 HydrophobicContact CZ2-CB 4.01Å |
| 155 | E | 87.2 | Confident | 86.1 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | trans | -70.1 | 137.7 | 176.9 | -172.6 | 49.5 | -97.1 | 0 | 0 | 110.6 | T127 T129 S157 | T127-E155 PolarHBondContact O-N 2.88Å; T129-E155 HydrophobicContact CG2-CB 3.55Å; T129-E155 HydrophobicContact CG2-CG 4.17Å; T129-E155 WeakPolarHBondContact CG2-OE2 3.29Å; E155-S157 VanDerWaalsContact OE1-CB 3.29Å; E155-S157 WeakPolarHBondContact OE1-CB 3.23Å; E155-S157 PolarHBondContact OE1-N 3.2Å; E155-S157 PolarHBondContact OE1-OG 3.46Å | ||
| 156 | T | 72.9 | Confident | 86.5 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | trans | -108.9 | -15.2 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | R158 L169 | T156-R158 PolarHBondContact O-N 2.92Å; T156-L169 HydrophobicContact CG2-CB 3.99Å; T156-L169 HydrophobicContact CG2-CD2 3.42Å; T156-L169 VanDerWaalsContact CG2-CD2 3.42Å; T156-L169 HydrophobicContact CG2-CG 4.22Å | ||
| 157 | S | 68.7 | Low | 86.7 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | trans | -65.1 | 131.2 | -177.2 | 83.3 | 0 | 0 | 0 | 0 | 110.1 | E155 K159 S162 | E155-S157 VanDerWaalsContact OE1-CB 3.29Å; E155-S157 WeakPolarHBondContact OE1-CB 3.23Å; E155-S157 PolarHBondContact OE1-N 3.2Å; E155-S157 PolarHBondContact OE1-OG 3.46Å; S157-K159 PolarHBondContact O-N 3.39Å; S157-S162 PolarHBondContact O-OG 3.32Å | ||
| 158 | R | 64.7 | Low | 86.7 | Confident | 201 Ų | 201 | 63.9 Ų | 63.9 | 76% | 0.758 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -74.1 | 27.2 | 174.6 | -65.6 | -175 | 172.3 | -168.4 | -3.3 | 112.5 | T156 L164 | T156-R158 PolarHBondContact O-N 2.92Å; R158-L164 PolarHBondContact NH2-O 2.87Å |
| 159 | K | 63.3 | Low | 86.8 | Confident | 175 Ų | 175 | 63.4 Ų | 63.4 | 76% | 0.761 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -119.3 | 122.7 | -174.9 | -67.2 | -172.8 | 178.6 | -176.5 | 0 | 108.7 | S157 | S157-K159 PolarHBondContact O-N 3.39Š|
| 160 | G | 72.6 | Confident | 86.7 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 74% | 0.742 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 94.5 | -133.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S162 | G160-S162 VanDerWaalsContact C-N 3.32Å; G160-S162 PolarHBondContact O-N 2.94Å |
| 161 | H | 81.5 | Confident | 86.4 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -78.2 | -11.4 | -172 | -62.1 | -71.9 | 0 | 0 | 0 | 114.2 | H125 T127 | H125-H161 PolarHBondContact CD2-O 3.45Å; T127-H161 HydrophobicContact CG2-CB 4.14Å |
| 162 | S | 91.8 | Very high | 86.3 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | trans | -105.5 | 141.3 | -177.6 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | H125 S157 G160 | H125-S162 CarbonylContact O-C 3.58Å; H125-S162 WeakPolarHBondContact O-CA 3.27Å; H125-S162 WeakPolarHBondContact O-CB 3.47Å; S157-S162 PolarHBondContact O-OG 3.32Å; G160-S162 VanDerWaalsContact C-N 3.32Å; G160-S162 PolarHBondContact O-N 2.94Å | ||
| 163 | F | 92.8 | Very high | 86.5 | Confident | 101 Ų | 101 | 66.6 Ų | 66.6 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 155.7 | 173.4 | 73.5 | -88 | 0 | 0 | 0 | 112.7 | A123 A124 H125 N165 | A123-F163 HydrophobicContact CB-CE2 3.83Å; A123-F163 HydrophobicContact CB-CZ 4.17Å; A123-F163 WeakPolarHBondContact O-CE2 3.4Å; A124-F163 WeakPolarHBondContact CA-O 3.13Å; H125-F163 HydrophobicContact CB-CD1 3.96Å; H125-F163 HydrophobicContact CB-CE1 3.59Å; H125-F163 HydrophobicContact CB-CZ 4.23Å; H125-F163 PolarHBondContact N-O 3.03Å; H125-F163 PolarHBondContact O-N 3.16Å; H125-F163 VanDerWaalsContact O-O 3.09Å; F163-N165 HydrophobicContact CD2-CB 4.48Å |
| 164 | L | 93.8 | Very high | 86.9 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 118.9 | 176.6 | -70.3 | 166.7 | 0 | 0 | 0 | 108.7 | A124 I126 R158 L169 L174 | A124-L164 HydrophobicContact CB-CD2 3.72Å; I126-L164 HydrophobicContact CG2-CD2 3.88Å; I126-L164 HydrophobicContact CG2-CG 4.18Å; R158-L164 PolarHBondContact NH2-O 2.87Å; L164-L169 HydrophobicContact CD1-CB 4.22Å; L164-L174 HydrophobicContact CD2-CD2 3.55Å |
| 165 | N | 93.4 | Very high | 87.1 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 32% | 0.316 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 114.1 | 179.1 | -166.3 | 18.7 | 0 | 0 | 0 | 111.2 | R121 A123 F163 L167 | R121-N165 WeakPolarHBondContact CB-ND2 3.42Å; R121-N165 PolarHBondContact O-ND2 3.28Å; A123-N165 PolarHBondContact N-O 3.33Å; A123-N165 PolarHBondContact O-N 3.07Å; F163-N165 HydrophobicContact CD2-CB 4.48Å; N165-L167 VanDerWaalsContact O-CD1 3.28Å; N165-L167 WeakPolarHBondContact O-CD1 3.37Å; N165-L167 PolarHBondContact O-N 3.11Å |
| 166 | N | 93.9 | Very high | 87.6 | Confident | 34 Ų | 34 | 62.4 Ų | 62.4 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 54.5 | 27.8 | -171.2 | -56.6 | -59.1 | 0 | 0 | 0 | 114.1 | R121 V122 H177 | R121-N166 PolarHBondContact O-ND2 2.84Å; V122-N166 HydrophobicContact CB-CB 4.35Å; V122-N166 HydrophobicContact CG1-CB 4.14Å; V122-N166 HydrophobicContact CG2-CB 3.98Å; N166-H177 WeakPolarHBondContact O-CB 3.39Å; N166-H177 PolarHBondContact O-ND1 2.92Å |
| 167 | L | 94.6 | Very high | 88.7 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.4 | 164.1 | -66.6 | 88.6 | 0 | 0 | 0 | 107.1 | V122 A124 N165 L174 I176 Y182 | V122-L167 HydrophobicContact CG1-CD1 3.55Å; A124-L167 HydrophobicContact CB-CB 4.27Å; A124-L167 HydrophobicContact CB-CD1 4.36Å; A124-L167 HydrophobicContact CB-CD2 4.1Å; N165-L167 VanDerWaalsContact O-CD1 3.28Å; N165-L167 WeakPolarHBondContact O-CD1 3.37Å; N165-L167 PolarHBondContact O-N 3.11Å; L167-L174 HydrophobicContact CD2-CB 4.48Å; L167-I176 HydrophobicContact CD2-CD1 3.75Å; L167-Y182 HydrophobicContact CD2-CE1 4.49Å |
| 168 | H | 94.8 | Very high | 90 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 32% | 0.324 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.7 | 169.4 | 69.5 | -75.8 | 0 | 0 | 0 | 111.7 | V175 H177 | H168-V175 WeakPolarHBondContact CE1-CB 3.36Å; H168-V175 VanDerWaalsContact CE1-CG1 3.42Å; H168-V175 WeakPolarHBondContact CE1-CG1 3.31Å; H168-V175 PolarHBondContact N-O 3.03Å; H168-V175 PolarHBondContact O-N 3.25Å; H168-H177 AromaticContact CE1-NE2 3.38Å; H168-H177 PolarHBondContact CE1-NE2 3.34Å; H168-H177 AromaticContact CG-NE2 3.98Å; H168-H177 AromaticContact ND1-CD2 3.74Å; H168-H177 AromaticContact ND1-CE1 3.44Å; H168-H177 PolarHBondContact ND1-CE1 3.16Å; H168-H177 AromaticContact ND1-NE2 2.84Å; H168-H177 PolarHBondContact ND1-NE2 3.48Å |
| 169 | L | 94.3 | Very high | 91.5 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.8 | 174.2 | -169.9 | 70.5 | 0 | 0 | 0 | 110 | I126 W154 T156 L164 E173 L174 | I126-L169 HydrophobicContact CD1-CD1 3.45Å; I126-L169 VanDerWaalsContact CD1-CD1 3.45Å; I126-L169 HydrophobicContact CD1-CD2 4.26Å; I126-L169 HydrophobicContact CD1-CG 4.39Å; W154-L169 HydrophobicContact CB-CD2 3.8Å; T156-L169 HydrophobicContact CG2-CB 3.99Å; T156-L169 HydrophobicContact CG2-CD2 3.42Å; T156-L169 VanDerWaalsContact CG2-CD2 3.42Å; T156-L169 HydrophobicContact CG2-CG 4.22Å; L164-L169 HydrophobicContact CD1-CB 4.22Å; L169-E173 CarbonylContact C-O 3.56Å; L169-E173 WeakPolarHBondContact CA-O 3.46Å; L169-E173 WeakPolarHBondContact CD1-O 3.38Å; L169-L174 HydrophobicContact CD1-CD2 4.27Å; L169-L174 HydrophobicContact CD1-CG 4.45Å |
| 170 | R | 92.9 | Very high | 93 | Very high | 155 Ų | 155 | 49.4 Ų | 49.4 | 59% | 0.585 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 119.1 | 171.9 | -177 | 179.5 | 178.7 | -176.9 | -0.7 | 109.5 | G172 E173 V175 | R170-G172 PolarHBondContact O-N 3.45Å; R170-G172 VanDerWaalsContact O-N 3.16Å; R170-E173 PolarHBondContact N-O 3.49Å; R170-E173 WeakPolarHBondContact O-CB 3.33Å; R170-E173 PolarHBondContact O-N 3.03Å; R170-V175 HydrophobicContact CB-CG2 4.08Å |
| 171 | N | 90.4 | Very high | 94.2 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 57% | 0.567 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 35 | 177.8 | -57.6 | -22.5 | 0 | 0 | 0 | 114.4 | E173 | N171-E173 VanDerWaalsContact C-N 3.32Š|
| 172 | G | 92.4 | Very high | 95 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 1.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R170 | R170-G172 PolarHBondContact O-N 3.45Å; R170-G172 VanDerWaalsContact O-N 3.16Å |
| 173 | E | 97.2 | Very high | 95.4 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.8 | 178.1 | -69.2 | 158.2 | -144.6 | 0 | 0 | 111.2 | K150 L169 R170 N171 R263 I264 F265 | K150-E173 HydrophobicContact CD-CG 4.47Å; K150-E173 IonicContact NZ-OE1 2.74Å; K150-E173 PolarHBondContact NZ-OE1 2.98Å; L169-E173 CarbonylContact C-O 3.56Å; L169-E173 WeakPolarHBondContact CA-O 3.46Å; L169-E173 WeakPolarHBondContact CD1-O 3.38Å; R170-E173 PolarHBondContact N-O 3.49Å; R170-E173 WeakPolarHBondContact O-CB 3.33Å; R170-E173 PolarHBondContact O-N 3.03Å; N171-E173 VanDerWaalsContact C-N 3.32Å; E173-R263 HydrophobicContact CB-CB 4.14Å; E173-R263 HydrophobicContact CG-CB 4.47Å; E173-R263 WeakPolarHBondContact OE2-CB 3.38Å; E173-R263 WeakPolarHBondContact OE2-CD 3.44Å; E173-R263 IonicContact OE2-CZ 2.8Å; E173-R263 IonicContact OE2-NE 2.72Å; E173-R263 PolarHBondContact OE2-NE 3.01Å; E173-I264 CarbonylContact C-O 3.59Å; E173-I264 VanDerWaalsContact CA-O 3.26Å; E173-I264 WeakPolarHBondContact CA-O 3.23Å; E173-F265 HydrophobicContact CB-CB 4.47Å; E173-F265 HydrophobicContact CG-CB 3.67Å; E173-F265 HydrophobicContact CG-CD1 3.87Å; E173-F265 HydrophobicContact CG-CG 4.07Å |
| 174 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.5 | 166.7 | -72.5 | 172.2 | 0 | 0 | 0 | 108.4 | A124 I126 L164 L167 L169 R263 I264 F283 | A124-L174 HydrophobicContact CB-CD1 4.07Å; A124-L174 HydrophobicContact CB-CD2 3.83Å; I126-L174 HydrophobicContact CD1-CD1 4.42Å; I126-L174 HydrophobicContact CD1-CD2 3.96Å; I126-L174 HydrophobicContact CD1-CG 4.03Å; L164-L174 HydrophobicContact CD2-CD2 3.55Å; L167-L174 HydrophobicContact CD2-CB 4.48Å; L169-L174 HydrophobicContact CD1-CD2 4.27Å; L169-L174 HydrophobicContact CD1-CG 4.45Å; L174-R263 CarbonylContact O-C 3.56Å; L174-R263 WeakPolarHBondContact O-CA 3.4Å; L174-I264 HydrophobicContact CB-CD1 4.25Å; L174-I264 HydrophobicContact CB-CG1 3.74Å; L174-I264 HydrophobicContact CD1-CD1 4.39Å; L174-I264 PolarHBondContact N-O 2.74Å; L174-I264 PolarHBondContact O-N 3.48Å; L174-F283 HydrophobicContact CB-CE1 4.32Å; L174-F283 HydrophobicContact CD1-CD1 3.92Å; L174-F283 HydrophobicContact CD1-CE1 3.7Å; L174-F283 HydrophobicContact CD1-CG 4.44Å; L174-F283 HydrophobicContact CD1-CZ 4.07Å; L174-F283 HydrophobicContact CG-CD1 4.22Å; L174-F283 HydrophobicContact CG-CE1 3.92Å |
| 175 | V | 97.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.4 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | H168 R170 R263 | H168-V175 WeakPolarHBondContact CE1-CB 3.36Å; H168-V175 VanDerWaalsContact CE1-CG1 3.42Å; H168-V175 WeakPolarHBondContact CE1-CG1 3.31Å; H168-V175 PolarHBondContact N-O 3.03Å; H168-V175 PolarHBondContact O-N 3.25Å; R170-V175 HydrophobicContact CB-CG2 4.08Å; V175-R263 HydrophobicContact CG1-CG 4.4Å; V175-R263 HydrophobicContact CG2-CG 4.11Å |
| 176 | I | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.9 | -174.8 | -56.8 | -55.6 | 0 | 0 | 0 | 110.6 | L167 Q178 Y182 L258 N261 D262 I264 | L167-I176 HydrophobicContact CD2-CD1 3.75Å; I176-Q178 WeakPolarHBondContact CG2-O 3.49Å; I176-Y182 HydrophobicContact CD1-CD1 4.35Å; I176-Y182 HydrophobicContact CD1-CE1 4.14Å; I176-Y182 HydrophobicContact CG2-CE2 3.78Å; I176-L258 HydrophobicContact CD1-CD1 3.52Å; I176-L258 HydrophobicContact CG1-CB 3.99Å; I176-L258 HydrophobicContact CG1-CD1 3.61Å; I176-L258 HydrophobicContact CG1-CG 4.42Å; I176-L258 HydrophobicContact CG2-CB 4.25Å; I176-N261 PolarHBondContact O-N 3.23Å; I176-D262 HydrophobicContact CG1-CB 4.36Å; I176-D262 WeakPolarHBondContact CG1-O 3.36Å; I176-D262 PolarHBondContact N-O 3.16Å; I176-I264 HydrophobicContact CD1-CD1 4.5Å |
| 177 | H | 96.3 | Very high | 96.4 | Very high | 77 Ų | 77 | 40.6 Ų | 40.6 | 36% | 0.356 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -101.6 | -18 | 176.6 | -65.2 | 165 | 0 | 0 | 0 | 114 | N166 H168 | N166-H177 WeakPolarHBondContact O-CB 3.39Å; N166-H177 PolarHBondContact O-ND1 2.92Å; H168-H177 AromaticContact CE1-NE2 3.38Å; H168-H177 PolarHBondContact CE1-NE2 3.34Å; H168-H177 AromaticContact CG-NE2 3.98Å; H168-H177 AromaticContact ND1-CD2 3.74Å; H168-H177 AromaticContact ND1-CE1 3.44Å; H168-H177 PolarHBondContact ND1-CE1 3.16Å; H168-H177 AromaticContact ND1-NE2 2.84Å; H168-H177 PolarHBondContact ND1-NE2 3.48Å |
| 178 | Q | 95.5 | Very high | 96.6 | Very high | 65 Ų | 65 | 40.2 Ų | 40.2 | 30% | 0.304 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -131.5 | 126.7 | -178.1 | -63.4 | -175.6 | 34.4 | 0 | 0 | 109.3 | V122 I176 Y182 | V122-Q178 HydrophobicContact CG2-CG 4.47Å; I176-Q178 WeakPolarHBondContact CG2-O 3.49Å; Q178-Y182 VanDerWaalsContact O-CE2 3.25Å; Q178-Y182 WeakPolarHBondContact O-CE2 3.27Å; Q178-Y182 PolarHBondContact O-OH 3.25Å |
| 179 | T | 96.5 | Very high | 96.7 | Very high | 81 Ų | 81 | 38.9 Ų | 38.9 | 50% | 0.497 | 18% | 0.182 | S | C | . | . | trans | -64.8 | 137.1 | 174.1 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | L258 E260 | T179-L258 VanDerWaalsContact CA-O 3.3Å; T179-L258 WeakPolarHBondContact CA-O 3.41Å; T179-E260 PolarHBondContact OG1-N 3.03Å | ||
| 180 | G | 95.7 | Very high | 96.9 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | -169 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y182 L258 G289 | G180-Y182 WeakPolarHBondContact O-CD2 3.48Å; G180-L258 PolarHBondContact N-O 3.33Å; G180-L258 PolarHBondContact O-N 3.39Å; G180-G289 WeakPolarHBondContact CA-O 3.44Å |
| 181 | F | 97.6 | Very high | 97 | Very high | 90 Ų | 90 | 36.5 Ų | 36.5 | 40% | 0.395 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.8 | 178.2 | -65.9 | -73.1 | 0 | 0 | 0 | 110.9 | I255 E257 I288 G289 | F181-I255 HydrophobicContact CB-CG2 4.02Å; F181-I255 HydrophobicContact CD1-CG2 4.42Å; F181-E257 HydrophobicContact CD1-CB 3.92Å; F181-E257 HydrophobicContact CD1-CG 4.39Å; F181-E257 HydrophobicContact CE1-CB 3.72Å; F181-E257 HydrophobicContact CE1-CG 4.08Å; F181-I288 PolarHBondContact O-N 3.48Å; F181-G289 PolarHBondContact N-O 2.89Å |
| 182 | Y | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.5 | 179.2 | -73.2 | -100.5 | 0 | 0 | 0 | 110.6 | V122 L167 I176 Q178 G180 I184 I255 F256 L258 A285 F286 L287 | V122-Y182 HydrophobicContact CG1-CE1 3.8Å; V122-Y182 WeakPolarHBondContact CG1-OH 3.24Å; L167-Y182 HydrophobicContact CD2-CE1 4.49Å; I176-Y182 HydrophobicContact CD1-CD1 4.35Å; I176-Y182 HydrophobicContact CD1-CE1 4.14Å; I176-Y182 HydrophobicContact CG2-CE2 3.78Å; Q178-Y182 VanDerWaalsContact O-CE2 3.25Å; Q178-Y182 WeakPolarHBondContact O-CE2 3.27Å; Q178-Y182 PolarHBondContact O-OH 3.25Å; G180-Y182 WeakPolarHBondContact O-CD2 3.48Å; Y182-I184 PolarHBondContact O-N 3.34Å; Y182-I255 VanDerWaalsContact O-CA 3.29Å; Y182-I255 WeakPolarHBondContact O-CA 3.34Å; Y182-F256 PolarHBondContact N-O 2.97Å; Y182-F256 PolarHBondContact O-N 3.06Å; Y182-L258 HydrophobicContact CD2-CB 3.85Å; Y182-L258 HydrophobicContact CD2-CD1 3.78Å; Y182-L258 HydrophobicContact CD2-CG 3.96Å; Y182-L258 HydrophobicContact CE2-CB 4.21Å; Y182-L258 HydrophobicContact CG-CD1 3.81Å; Y182-L258 HydrophobicContact CG-CG 4.4Å; Y182-A285 HydrophobicContact CD1-CB 4.3Å; Y182-F286 VanDerWaalsContact CA-O 3.31Å; Y182-F286 WeakPolarHBondContact CA-O 3.41Å; Y182-L287 HydrophobicContact CD1-CB 4.44Å; Y182-L287 HydrophobicContact CD2-CD1 4.15Å; Y182-L287 HydrophobicContact CE1-CB 4.04Å; Y182-L287 HydrophobicContact CE1-CD1 4.38Å; Y182-L287 HydrophobicContact CE2-CD1 3.69Å |
| 183 | Y | 98.7 | Very high | 97.1 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 116.8 | 158 | -177 | -96.3 | 0 | 0 | 0 | 108.2 | Y185 Y251 G254 I255 A285 F286 | Y183-Y185 AromaticContact CD1-CD1 3.77Å; Y183-Y185 HydrophobicContact CD1-CD1 3.77Å; Y183-Y185 HydrophobicContact CD1-CG 4.49Å; Y183-Y185 AromaticContact CE1-CD1 3.74Å; Y183-Y185 HydrophobicContact CE1-CD1 3.74Å; Y183-Y185 HydrophobicContact CE1-CG 4.05Å; Y183-Y251 PolarHBondContact OH-OH 3.34Å; Y183-Y251 VanDerWaalsContact OH-OH 3.14Å; Y183-G254 WeakPolarHBondContact CA-O 3.25Å; Y183-I255 HydrophobicContact CD2-CG1 4Å; Y183-A285 CarbonylContact O-C 3.6Å; Y183-A285 WeakPolarHBondContact O-CA 3.37Å; Y183-F286 HydrophobicContact CD1-CD1 4.21Å; Y183-F286 AromaticContact CD1-CE1 3.38Å; Y183-F286 HydrophobicContact CD1-CE1 3.38Å; Y183-F286 AromaticContact CD1-CZ 3.76Å; Y183-F286 HydrophobicContact CD1-CZ 3.76Å; Y183-F286 HydrophobicContact CE1-CE1 4.26Å; Y183-F286 AromaticContact CG-CE1 3.94Å; Y183-F286 HydrophobicContact CG-CE1 3.94Å; Y183-F286 AromaticContact CG-CZ 3.87Å; Y183-F286 HydrophobicContact CG-CZ 3.87Å; Y183-F286 PolarHBondContact N-O 3.35Å; Y183-F286 PolarHBondContact O-N 3.34Å |
| 184 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.3 | -179.7 | -52.9 | 168 | 0 | 0 | 0 | 107.6 | Y182 I218 L230 M231 G253 G254 F256 L258 I264 F283 A285 | Y182-I184 PolarHBondContact O-N 3.34Å; I184-I218 HydrophobicContact CG2-CD1 4.49Å; I184-I218 HydrophobicContact CG2-CG2 3.94Å; I184-L230 HydrophobicContact CD1-CD1 3.69Å; I184-M231 HydrophobicContact CB-CE 4.09Å; I184-M231 HydrophobicContact CG2-CE 4.3Å; I184-G253 CarbonylContact O-C 3.49Å; I184-G253 WeakPolarHBondContact O-CA 3.43Å; I184-G254 PolarHBondContact N-O 3.37Å; I184-G254 PolarHBondContact O-N 3.3Å; I184-F256 HydrophobicContact CD1-CB 4.15Å; I184-F256 HydrophobicContact CD1-CD2 3.97Å; I184-F256 HydrophobicContact CD1-CG 4.4Å; I184-L258 HydrophobicContact CD1-CD1 3.99Å; I184-L258 HydrophobicContact CD1-CD2 4.39Å; I184-L258 HydrophobicContact CG1-CD1 4.49Å; I184-I264 HydrophobicContact CD1-CD1 4.03Å; I184-I264 HydrophobicContact CD1-CG2 4.23Å; I184-I264 HydrophobicContact CG1-CD1 4Å; I184-I264 HydrophobicContact CG2-CD1 3.89Å; I184-F283 HydrophobicContact CG2-CE2 3.64Å; I184-F283 HydrophobicContact CG2-CZ 4.27Å; I184-A285 HydrophobicContact CG1-CB 4.29Å |
| 185 | Y | 98.9 | Very high | 95.6 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151.5 | 178.5 | 64.7 | -84.6 | 0 | 0 | 0 | 112.3 | H125 Y183 Y251 Q252 F282 F283 G284 F286 | H125-Y185 AromaticContact ND1-CE2 3.75Å; H125-Y185 AromaticContact ND1-CZ 3.75Å; H125-Y185 PolarHBondContact ND1-OH 3.25Å; Y183-Y185 AromaticContact CD1-CD1 3.77Å; Y183-Y185 HydrophobicContact CD1-CD1 3.77Å; Y183-Y185 HydrophobicContact CD1-CG 4.49Å; Y183-Y185 AromaticContact CE1-CD1 3.74Å; Y183-Y185 HydrophobicContact CE1-CD1 3.74Å; Y183-Y185 HydrophobicContact CE1-CG 4.05Å; Y185-Y251 WeakPolarHBondContact CB-OH 3.43Å; Y185-Y251 HydrophobicContact CD2-CE2 4.02Å; Y185-Y251 HydrophobicContact CG-CE2 4.44Å; Y185-Q252 VanDerWaalsContact CA-O 3.25Å; Y185-Q252 WeakPolarHBondContact CA-O 3.36Å; Y185-F282 HydrophobicContact CD2-CD2 4.31Å; Y185-F282 HydrophobicContact CD2-CE2 4.21Å; Y185-F282 HydrophobicContact CE2-CD2 4.05Å; Y185-F282 HydrophobicContact CE2-CE2 4.16Å; Y185-F283 VanDerWaalsContact O-CD2 3.24Å; Y185-F283 WeakPolarHBondContact O-CD2 3.46Å; Y185-G284 WeakPolarHBondContact CD1-O 3.38Å; Y185-G284 PolarHBondContact N-O 3.28Å; Y185-G284 PolarHBondContact O-N 3.2Å; Y185-G284 VanDerWaalsContact O-O 3.14Å; Y185-F286 HydrophobicContact CE1-CD1 4.33Å |
| 186 | S | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 143.2 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | Q216 Y251 Q252 F282 | S186-Q216 VanDerWaalsContact C-NE2 3.34Å; S186-Q216 VanDerWaalsContact CB-NE2 3.34Å; S186-Q216 PolarHBondContact O-NE2 2.9Å; S186-Q216 VanDerWaalsContact O-NE2 3.09Å; S186-Q216 PolarHBondContact O-OE1 3.38Å; S186-Q216 PolarHBondContact OG-NE2 3.48Å; S186-Y251 WeakPolarHBondContact O-CA 3.48Å; S186-Q252 PolarHBondContact N-O 3.39Å; S186-Q252 PolarHBondContact O-N 2.97Å; S186-Q252 VanDerWaalsContact O-N 3.13Å; S186-F282 CarbonylContact C-O 3.54Å; S186-F282 VanDerWaalsContact CA-O 3.25Å; S186-F282 WeakPolarHBondContact CA-O 3.24Å; S186-F282 WeakPolarHBondContact CB-O 3.48Å; S186-F282 PolarHBondContact OG-O 3.45Å |
| 187 | Q | 98.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 57.3 Ų | 57.3 | 19% | 0.192 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.9 | 162.1 | -168.6 | 166.8 | -87.1 | 0 | 0 | 110.3 | I250 Y251 A280 S281 F282 | Q187-I250 CarbonylContact C-O 3.53Å; Q187-I250 VanDerWaalsContact CA-O 3.27Å; Q187-I250 WeakPolarHBondContact CA-O 3.44Å; Q187-Y251 HydrophobicContact CB-CD2 4.19Å; Q187-A280 PolarHBondContact NE2-O 2.04Å; Q187-S281 CarbonylContact O-C 3.59Å; Q187-S281 VanDerWaalsContact O-CA 3.32Å; Q187-S281 WeakPolarHBondContact O-CA 3.47Å; Q187-F282 HydrophobicContact CB-CD1 4.12Å; Q187-F282 HydrophobicContact CB-CD2 3.98Å; Q187-F282 HydrophobicContact CB-CE1 3.68Å; Q187-F282 HydrophobicContact CB-CE2 3.52Å; Q187-F282 HydrophobicContact CB-CG 4.26Å; Q187-F282 HydrophobicContact CB-CZ 3.35Å; Q187-F282 HydrophobicContact CG-CE1 4.3Å; Q187-F282 HydrophobicContact CG-CZ 4.18Å; Q187-F282 PolarHBondContact N-O 3.18Å; Q187-F282 PolarHBondContact O-N 2.89Å; Q187-F282 VanDerWaalsContact O-O 3.1Å |
| 188 | T | 98.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128 | 170 | 44.8 | 0 | 0 | 0 | 0 | 109.1 | I151 Q216 I250 V266 V268 | I151-T188 HydrophobicContact CD1-CG2 3.84Å; T188-Q216 HydrophobicContact CG2-CG 4.09Å; T188-Q216 WeakPolarHBondContact OG1-CG 3.49Å; T188-Q216 PolarHBondContact OG1-NE2 3.41Å; T188-Q216 VanDerWaalsContact OG1-NE2 3.11Å; T188-I250 PolarHBondContact N-O 3.14Å; T188-I250 PolarHBondContact O-N 2.99Å; T188-V266 HydrophobicContact CG2-CG1 4.21Å; T188-V268 HydrophobicContact CG2-CG1 3.86Å |
| 189 | Y | 98.3 | Very high | 88.2 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.2 | -179.2 | -176.4 | -141.4 | 0 | 0 | 0 | 110.7 | R191 L247 S249 I274 D275 A280 S281 | Y189-R191 HydrophobicContact CD1-CB 4.33Å; Y189-R191 HydrophobicContact CE1-CB 3.95Å; Y189-R191 HydrophobicContact CE1-CG 4.43Å; Y189-L247 HydrophobicContact CE2-CB 4.05Å; Y189-L247 WeakPolarHBondContact OH-CD2 3.21Å; Y189-S249 VanDerWaalsContact CD2-OG 3.23Å; Y189-S249 WeakPolarHBondContact CD2-OG 3.25Å; Y189-I274 WeakPolarHBondContact O-CA 3.44Å; Y189-D275 HydrophobicContact CD1-CB 3.63Å; Y189-D275 HydrophobicContact CE1-CB 4.34Å; Y189-D275 HydrophobicContact CG-CB 4.37Å; Y189-D275 PolarHBondContact O-N 3.4Å; Y189-A280 HydrophobicContact CD1-CB 3.72Å; Y189-A280 HydrophobicContact CG-CB 4.17Å; Y189-S281 PolarHBondContact N-OG 3.07Å |
| 190 | F | 97.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 116.8 | 172.8 | -66.4 | -99.1 | 0 | 0 | 0 | 109 | M214 Y248 I250 V268 T269 N270 L273 I274 | F190-M214 HydrophobicContact CB-CG 4.19Å; F190-M214 HydrophobicContact CB-SD 3.53Å; F190-M214 VanDerWaalsContact CB-SD 3.53Å; F190-M214 HydrophobicContact CD1-CB 3.87Å; F190-M214 HydrophobicContact CD1-CG 3.51Å; F190-M214 HydrophobicContact CD1-SD 4.03Å; F190-M214 HydrophobicContact CD2-CB 4Å; F190-M214 HydrophobicContact CD2-CG 4.32Å; F190-M214 HydrophobicContact CD2-SD 4.43Å; F190-M214 HydrophobicContact CE1-CB 3.81Å; F190-M214 HydrophobicContact CE1-CG 3.86Å; F190-M214 HydrophobicContact CE2-CB 3.98Å; F190-M214 HydrophobicContact CG-CB 3.94Å; F190-M214 HydrophobicContact CG-CG 3.76Å; F190-M214 HydrophobicContact CG-SD 3.76Å; F190-M214 HydrophobicContact CZ-CB 3.87Å; F190-M214 HydrophobicContact CZ-CG 4.41Å; F190-Y248 PolarHBondContact N-O 3.1Å; F190-Y248 PolarHBondContact O-N 3.37Å; F190-I250 HydrophobicContact CD2-CD1 4.03Å; F190-I250 HydrophobicContact CD2-CG1 4.26Å; F190-I250 HydrophobicContact CE2-CD1 3.72Å; F190-I250 HydrophobicContact CE2-CG1 4.25Å; F190-V268 HydrophobicContact CZ-CB 4.16Å; F190-V268 HydrophobicContact CZ-CG1 4.3Å; F190-T269 VanDerWaalsContact CE1-O 3.25Å; F190-T269 WeakPolarHBondContact CE1-O 3.48Å; F190-N270 HydrophobicContact CE1-CB 4.5Å; F190-L273 CarbonylContact C-O 3.5Å; F190-L273 WeakPolarHBondContact CA-O 3.49Å; F190-L273 HydrophobicContact CD1-CB 4.39Å; F190-I274 HydrophobicContact CD1-CD1 3.59Å; F190-I274 HydrophobicContact CD2-CD1 3.78Å; F190-I274 HydrophobicContact CE1-CD1 3.45Å; F190-I274 VanDerWaalsContact CE1-CD1 3.45Å; F190-I274 HydrophobicContact CE1-CG1 4.36Å; F190-I274 HydrophobicContact CE2-CD1 3.62Å; F190-I274 HydrophobicContact CG-CD1 3.77Å; F190-I274 HydrophobicContact CZ-CD1 3.48Å; F190-I274 VanDerWaalsContact CZ-CD1 3.48Å |
| 191 | R | 95.9 | Very high | 84 | Confident | 134 Ų | 134 | 70 Ų | 70 | 51% | 0.506 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 123.2 | 178.6 | -178.6 | 168.7 | 73.1 | 89 | 0.1 | 110.5 | Y189 G246 L247 L273 D275 | Y189-R191 HydrophobicContact CD1-CB 4.33Å; Y189-R191 HydrophobicContact CE1-CB 3.95Å; Y189-R191 HydrophobicContact CE1-CG 4.43Å; R191-G246 WeakPolarHBondContact CA-O 3.43Å; R191-L247 HydrophobicContact CB-CD2 4.4Å; R191-L247 HydrophobicContact CG-CD2 3.66Å; R191-L273 PolarHBondContact N-O 3.48Å; R191-D275 HydrophobicContact CB-CB 4.27Å; R191-D275 IonicContact CZ-OD2 3.91Å; R191-D275 IonicContact NE-OD2 3.35Å; R191-D275 PolarHBondContact NE-OD2 3.47Å; R191-D275 IonicContact NH2-OD2 2.81Å; R191-D275 PolarHBondContact NH2-OD2 2.68Å |
| 192 | F | 93.3 | Very high | 81.6 | Confident | 17 Ų | 17 | 72 Ų | 72 | 8% | 0.075 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 153.6 | 178.3 | 57.2 | -91.9 | 0 | 0 | 0 | 111.7 | E194 K212 M214 Y245 G246 Y248 L273 | F192-E194 HydrophobicContact CD2-CG 4.43Å; F192-E194 HydrophobicContact CE2-CG 4.2Å; F192-E194 WeakPolarHBondContact CE2-OE1 3.46Å; F192-K212 HydrophobicContact CD1-CD 4.45Å; F192-K212 HydrophobicContact CD2-CD 4.23Å; F192-K212 HydrophobicContact CE1-CD 4.08Å; F192-K212 HydrophobicContact CE2-CD 3.88Å; F192-K212 HydrophobicContact CZ-CD 3.78Å; F192-M214 HydrophobicContact CE1-SD 3.9Å; F192-Y245 CarbonylContact O-C 3.55Å; F192-Y245 VanDerWaalsContact O-CA 3.29Å; F192-Y245 WeakPolarHBondContact O-CA 3.35Å; F192-Y245 VanDerWaalsContact O-CB 3.31Å; F192-Y245 WeakPolarHBondContact O-CB 3.49Å; F192-G246 PolarHBondContact N-O 2.91Å; F192-G246 VanDerWaalsContact N-O 3.1Å; F192-G246 PolarHBondContact O-N 3.36Å; F192-Y248 HydrophobicContact CE1-CD2 4.19Å; F192-Y248 HydrophobicContact CE1-CE2 4.26Å; F192-Y248 HydrophobicContact CZ-CD2 4.41Å; F192-Y248 HydrophobicContact CZ-CE2 4.02Å; F192-L273 HydrophobicContact CB-CB 4.48Å; F192-L273 HydrophobicContact CB-CD1 4.48Å; F192-L273 HydrophobicContact CB-CD2 3.92Å; F192-L273 HydrophobicContact CD1-CB 4.21Å; F192-L273 HydrophobicContact CD1-CD1 3.76Å; F192-L273 HydrophobicContact CD1-CG 4.42Å; F192-L273 HydrophobicContact CE1-CD1 4.27Å; F192-L273 HydrophobicContact CG-CD1 4.2Å; F192-L273 HydrophobicContact CG-CD2 4.48Å |
| 193 | Q | 91.3 | Very high | 79.2 | Confident | 158 Ų | 158 | 75.8 Ų | 75.8 | 74% | 0.738 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 136.3 | 166.4 | -167.1 | 173.1 | 6.1 | 0 | 0 | 108.2 | E244 | Q193-E244 WeakPolarHBondContact CG-O 3.2Å |
| 194 | E | 85.6 | Confident | 76.8 | Confident | 16 Ų | 16 | 77.1 Ų | 77.1 | 8% | 0.075 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 137.7 | 171.6 | -66.7 | -68.2 | 179.5 | 0 | 0 | 109 | F192 E196 K212 S243 E244 | F192-E194 HydrophobicContact CD2-CG 4.43Å; F192-E194 HydrophobicContact CE2-CG 4.2Å; F192-E194 WeakPolarHBondContact CE2-OE1 3.46Å; E194-E196 PolarHBondContact O-N 2.82Å; E194-K212 IonicContact OE1-NZ 3.76Å; E194-K212 PolarHBondContact OE1-NZ 3.27Å; E194-K212 IonicContact OE2-NZ 3.8Å; E194-K212 PolarHBondContact OE2-NZ 3.41Å; E194-S243 WeakPolarHBondContact CB-O 3.36Å; E194-S243 WeakPolarHBondContact CG-O 3.4Å; E194-E244 PolarHBondContact N-O 3.32Å |
| 195 | P | 78.1 | Confident | 74.5 | Confident | 94 Ų | 94 | 84.8 Ų | 84.8 | 61% | 0.61 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 135.5 | 177.1 | 26.1 | -31.6 | 0 | 0 | 0 | 110.2 | E197 | P195-E197 PolarHBondContact O-N 3.23Š|
| 196 | E | 66.7 | Low | 72.1 | Confident | 170 Ų | 170 | 89.9 Ų | 89.9 | 79% | 0.794 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -64 | 132.6 | 169.8 | -73.2 | -174.2 | 175.7 | 0 | 0 | 109.7 | E194 I198 | E194-E196 PolarHBondContact O-N 2.82Å; E196-I198 PolarHBondContact O-N 2.86Å |
| 197 | E | 61.1 | Low | 69.8 | Low | 116 Ų | 116 | 94.7 Ų | 94.7 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | trans | -70.8 | 99.4 | 173.1 | -71.1 | 177.2 | -155.2 | 0 | 0 | 108.2 | P195 L199 R209 | P195-E197 PolarHBondContact O-N 3.23Å; E197-L199 PolarHBondContact O-N 3.33Å; E197-R209 IonicContact OE1-CZ 3.51Å; E197-R209 IonicContact OE1-NE 2.69Å; E197-R209 PolarHBondContact OE1-NE 3.33Å; E197-R209 IonicContact OE1-NH2 2.88Å | ||
| 198 | I | 56.6 | Low | 67.7 | Low | 139 Ų | 139 | 101.6 Ų | 101.6 | 71% | 0.713 | 53% | 0.534 | S | S | * | . | trans | -64.5 | 108.9 | 172.8 | -57.8 | 175.8 | 0 | 0 | 0 | 107.8 | E196 G200 | E196-I198 PolarHBondContact O-N 2.86Å; I198-G200 PolarHBondContact O-N 3.08Å | ||
| 199 | L | 48.6 | Very low | 65.9 | Low | 182 Ų | 182 | 105.1 Ų | 105.1 | 95% | 0.953 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 99.7 | 169.8 | -92.2 | 147 | 0 | 0 | 0 | 109.5 | E197 | E197-L199 PolarHBondContact O-N 3.33Š|
| 200 | G | 51.9 | Low | 64.4 | Low | 74 Ų | 74 | 109.4 Ų | 109.4 | 76% | 0.763 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.2 | -23.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116 | I198 | I198-G200 PolarHBondContact O-N 3.08Š|
| 201 | T | 50.9 | Low | 63.8 | Low | 102 Ų | 102 | 112.8 Ų | 112.8 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -91.7 | 119.8 | 173.2 | 42.9 | 0 | 0 | 0 | 0 | 109.8 | A203 | T201-A203 PolarHBondContact O-N 3.05Š|
| 202 | V | 47.2 | Very low | 63.5 | Low | 133 Ų | 133 | 108.4 Ų | 108.4 | 81% | 0.806 | 57% | 0.569 | S | S | * | * | trans | -42.6 | 111 | 171.2 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | T204 | V202-T204 VanDerWaalsContact C-N 3.28Å; V202-T204 PolarHBondContact O-N 3.37Å | ||
| 203 | A | 47.7 | Very low | 63.6 | Low | 79 Ų | 79 | 114.3 Ų | 114.3 | 65% | 0.653 | 60% | 0.597 | S | S | * | * | trans | -65.8 | 92.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | T201 | T201-A203 PolarHBondContact O-N 3.05Š| ||
| 204 | T | 48.6 | Very low | 63.9 | Low | 85 Ų | 85 | 106.8 Ų | 106.8 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | trans | -53.8 | 144.4 | 158.5 | 33.6 | 0 | 0 | 0 | 0 | 107.6 | V202 E206 N207 | V202-T204 VanDerWaalsContact C-N 3.28Å; V202-T204 PolarHBondContact O-N 3.37Å; T204-E206 PolarHBondContact O-N 3.02Å; T204-N207 PolarHBondContact O-N 3.16Å | ||
| 205 | E | 50.3 | Low | 64.5 | Low | 162 Ų | 162 | 106.6 Ų | 106.6 | 76% | 0.757 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -53.3 | -16.2 | -175.5 | -66.2 | -159.5 | 134.9 | 0 | 0 | 114.2 | ||
| 206 | E | 49.3 | Very low | 65.4 | Low | 143 Ų | 143 | 102.1 Ų | 102.1 | 67% | 0.668 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -66.5 | -24.8 | 172.4 | -107.3 | -177.2 | 154.6 | 0 | 0 | 115.8 | T204 K210 | T204-E206 PolarHBondContact O-N 3.02Å; E206-K210 WeakPolarHBondContact O-CE 2.86Å |
| 207 | N | 49.2 | Very low | 67 | Low | 101 Ų | 101 | 95.3 Ų | 95.3 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -89.3 | 6.2 | -175.4 | -84.2 | -11.5 | 0 | 0 | 0 | 114.6 | T204 R209 | T204-N207 PolarHBondContact O-N 3.16Å; N207-R209 PolarHBondContact O-N 3.45Å |
| 208 | R | 55 | Low | 68.8 | Low | 186 Ų | 186 | 89.8 Ų | 89.8 | 70% | 0.702 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -64.1 | 119.4 | 165.5 | -79.3 | -178.9 | 163.3 | 141.8 | -2.6 | 108 | K210 | R208-K210 VanDerWaalsContact O-CG 3.27Å; R208-K210 WeakPolarHBondContact O-CG 3.26Å; R208-K210 PolarHBondContact O-N 3.37Å |
| 209 | R | 61 | Low | 70.8 | Confident | 73 Ų | 73 | 83.6 Ų | 83.6 | 28% | 0.275 | 44% | 0.442 | S | S | . | . | trans | -41.8 | 103 | 172.9 | -64.2 | -178.2 | -170 | -152 | 2.6 | 109.4 | E197 N207 N211 K241 S243 | E197-R209 IonicContact OE1-CZ 3.51Å; E197-R209 IonicContact OE1-NE 2.69Å; E197-R209 PolarHBondContact OE1-NE 3.33Å; E197-R209 IonicContact OE1-NH2 2.88Å; N207-R209 PolarHBondContact O-N 3.45Å; R209-N211 PolarHBondContact O-N 2.85Å; R209-K241 PolarHBondContact NH1-O 3Å; R209-K241 PolarHBondContact NH2-O 3.48Å; R209-S243 PolarHBondContact NH1-O 2.86Å | ||
| 210 | K | 67.9 | Low | 73.1 | Confident | 133 Ų | 133 | 76.7 Ų | 76.7 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 124 | -173.8 | -64.3 | -176.2 | -176.6 | 171.5 | 0 | 107.4 | E206 R208 K212 | E206-K210 WeakPolarHBondContact O-CE 2.86Å; R208-K210 VanDerWaalsContact O-CG 3.27Å; R208-K210 WeakPolarHBondContact O-CG 3.26Å; R208-K210 PolarHBondContact O-N 3.37Å; K210-K212 WeakPolarHBondContact O-CG 3.39Å; K210-K212 PolarHBondContact O-N 2.84Å; K210-K212 VanDerWaalsContact O-N 3.12Å |
| 211 | N | 83.3 | Confident | 75.2 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 120 | 170.3 | -74.1 | -28.3 | 0 | 0 | 0 | 109 | R209 W239 | R209-N211 PolarHBondContact O-N 2.85Å; N211-W239 VanDerWaalsContact ND2-CD2 3.25Å; N211-W239 VanDerWaalsContact ND2-CE2 3.33Å |
| 212 | K | 91.1 | Very high | 77.3 | Confident | 43 Ų | 43 | 70.7 Ų | 70.7 | 19% | 0.187 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 120.2 | -177.6 | -59.5 | 176.5 | -178.3 | 62.6 | 0 | 108.4 | F192 E194 K210 N236 S237 L273 | F192-K212 HydrophobicContact CD1-CD 4.45Å; F192-K212 HydrophobicContact CD2-CD 4.23Å; F192-K212 HydrophobicContact CE1-CD 4.08Å; F192-K212 HydrophobicContact CE2-CD 3.88Å; F192-K212 HydrophobicContact CZ-CD 3.78Å; E194-K212 IonicContact OE1-NZ 3.76Å; E194-K212 PolarHBondContact OE1-NZ 3.27Å; E194-K212 IonicContact OE2-NZ 3.8Å; E194-K212 PolarHBondContact OE2-NZ 3.41Å; K210-K212 WeakPolarHBondContact O-CG 3.39Å; K210-K212 PolarHBondContact O-N 2.84Å; K210-K212 VanDerWaalsContact O-N 3.12Å; K212-N236 CarbonylContact O-C 3.6Å; K212-N236 WeakPolarHBondContact O-CA 3.47Å; K212-S237 PolarHBondContact N-OG 3.13Å; K212-S237 PolarHBondContact O-N 3.49Å; K212-L273 HydrophobicContact CD-CD1 3.77Å |
| 213 | Q | 94.4 | Very high | 79.3 | Confident | 141 Ų | 141 | 72.4 Ų | 72.4 | 66% | 0.659 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.4 | 169.9 | -65 | -177.8 | -2.4 | 0 | 0 | 108.5 | T269 N270 | Q213-T269 WeakPolarHBondContact O-CB 3.41Å; Q213-T269 PolarHBondContact O-OG1 2.97Å; Q213-N270 PolarHBondContact O-ND2 3.46Å |
| 214 | M | 96.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 109.8 | 178.3 | -64.3 | 165.4 | -67.3 | 0 | 0 | 107.1 | F190 F192 A234 R235 Y248 I250 T269 | F190-M214 HydrophobicContact CB-CG 4.19Å; F190-M214 HydrophobicContact CB-SD 3.53Å; F190-M214 VanDerWaalsContact CB-SD 3.53Å; F190-M214 HydrophobicContact CD1-CB 3.87Å; F190-M214 HydrophobicContact CD1-CG 3.51Å; F190-M214 HydrophobicContact CD1-SD 4.03Å; F190-M214 HydrophobicContact CD2-CB 4Å; F190-M214 HydrophobicContact CD2-CG 4.32Å; F190-M214 HydrophobicContact CD2-SD 4.43Å; F190-M214 HydrophobicContact CE1-CB 3.81Å; F190-M214 HydrophobicContact CE1-CG 3.86Å; F190-M214 HydrophobicContact CE2-CB 3.98Å; F190-M214 HydrophobicContact CG-CB 3.94Å; F190-M214 HydrophobicContact CG-CG 3.76Å; F190-M214 HydrophobicContact CG-SD 3.76Å; F190-M214 HydrophobicContact CZ-CB 3.87Å; F190-M214 HydrophobicContact CZ-CG 4.41Å; F192-M214 HydrophobicContact CE1-SD 3.9Å; M214-A234 CarbonylContact O-C 3.58Å; M214-A234 WeakPolarHBondContact O-CA 3.38Å; M214-R235 HydrophobicContact CE-CB 3.96Å; M214-R235 PolarHBondContact N-O 2.97Å; M214-R235 PolarHBondContact O-N 3.34Å; M214-Y248 HydrophobicContact CE-CD1 3.76Å; M214-Y248 HydrophobicContact CE-CD2 3.41Å; M214-Y248 VanDerWaalsContact CE-CD2 3.41Å; M214-Y248 HydrophobicContact CE-CE1 4.08Å; M214-Y248 HydrophobicContact CE-CE2 3.75Å; M214-Y248 HydrophobicContact CE-CG 3.42Å; M214-Y248 VanDerWaalsContact CE-CG 3.42Å; M214-Y248 HydrophobicContact SD-CD2 3.5Å; M214-Y248 VanDerWaalsContact SD-CD2 3.5Å; M214-Y248 HydrophobicContact SD-CE2 4.22Å; M214-Y248 HydrophobicContact SD-CG 3.77Å; M214-I250 HydrophobicContact CB-CD1 4Å; M214-I250 WeakPolarHBondContact O-CD1 3.43Å; M214-T269 WeakPolarHBondContact CA-OG1 3.34Å |
| 215 | V | 98.3 | Very high | 83.1 | Confident | 11 Ų | 11 | 76.7 Ų | 76.7 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.2 | -176 | -166.4 | 0 | 0 | 0 | 0 | 108.5 | Y217 S233 A234 V268 T269 | V215-Y217 HydrophobicContact CB-CE2 3.79Å; V215-Y217 HydrophobicContact CG1-CD1 4.19Å; V215-Y217 HydrophobicContact CG1-CD2 4.26Å; V215-Y217 HydrophobicContact CG1-CE1 3.58Å; V215-Y217 HydrophobicContact CG1-CE2 3.66Å; V215-Y217 HydrophobicContact CG1-CG 4.49Å; V215-Y217 WeakPolarHBondContact CG1-OH 3.37Å; V215-S233 WeakPolarHBondContact CA-O 3.4Å; V215-A234 HydrophobicContact CB-CB 4.47Å; V215-A234 HydrophobicContact CG1-CB 4.12Å; V215-A234 HydrophobicContact CG2-CB 3.95Å; V215-V268 CarbonylContact O-C 3.53Å; V215-V268 VanDerWaalsContact O-CA 3.24Å; V215-V268 WeakPolarHBondContact O-CA 3.42Å; V215-T269 HydrophobicContact CB-CG2 4.06Å; V215-T269 HydrophobicContact CG2-CG2 4.18Å; V215-T269 PolarHBondContact N-OG1 3.36Å; V215-T269 PolarHBondContact O-N 3.4Å |
| 216 | Q | 98.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.8 | 172.1 | -175.4 | -164.5 | 49.6 | 0 | 0 | 108.3 | S186 T188 K232 S233 I250 Q252 V266 V268 | S186-Q216 VanDerWaalsContact C-NE2 3.34Å; S186-Q216 VanDerWaalsContact CB-NE2 3.34Å; S186-Q216 PolarHBondContact O-NE2 2.9Å; S186-Q216 VanDerWaalsContact O-NE2 3.09Å; S186-Q216 PolarHBondContact O-OE1 3.38Å; S186-Q216 PolarHBondContact OG-NE2 3.48Å; T188-Q216 HydrophobicContact CG2-CG 4.09Å; T188-Q216 WeakPolarHBondContact OG1-CG 3.49Å; T188-Q216 PolarHBondContact OG1-NE2 3.41Å; T188-Q216 VanDerWaalsContact OG1-NE2 3.11Å; Q216-K232 CarbonylContact O-C 3.58Å; Q216-K232 VanDerWaalsContact O-CA 3.27Å; Q216-K232 WeakPolarHBondContact O-CA 3.36Å; Q216-S233 PolarHBondContact N-O 2.99Å; Q216-S233 PolarHBondContact O-N 2.95Å; Q216-I250 HydrophobicContact CB-CG2 3.99Å; Q216-I250 PolarHBondContact NE2-O 3.03Å; Q216-I250 PolarHBondContact OE1-O 2.9Å; Q216-Q252 PolarHBondContact O-NE2 2.71Å; Q216-V266 HydrophobicContact CG-CG1 3.93Å; Q216-V268 HydrophobicContact CB-CG1 4.46Å; Q216-V268 HydrophobicContact CG-CG1 4.39Å |
| 217 | Y | 98.6 | Very high | 87.2 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 11% | 0.106 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.5 | 177.5 | -53.9 | -85.7 | 0 | 0 | 0 | 109.6 | L147 V215 Y219 L229 M231 K232 V266 S267 T269 | L147-Y217 HydrophobicContact CB-CD2 4.39Å; L147-Y217 HydrophobicContact CB-CE1 4.1Å; L147-Y217 HydrophobicContact CB-CE2 3.96Å; L147-Y217 HydrophobicContact CD1-CE1 3.97Å; V215-Y217 HydrophobicContact CB-CE2 3.79Å; V215-Y217 HydrophobicContact CG1-CD1 4.19Å; V215-Y217 HydrophobicContact CG1-CD2 4.26Å; V215-Y217 HydrophobicContact CG1-CE1 3.58Å; V215-Y217 HydrophobicContact CG1-CE2 3.66Å; V215-Y217 HydrophobicContact CG1-CG 4.49Å; V215-Y217 WeakPolarHBondContact CG1-OH 3.37Å; Y217-Y219 VanDerWaalsContact CB-CE2 3.43Å; Y217-Y219 HydrophobicContact CG-CE2 4.03Å; Y217-L229 HydrophobicContact CD1-CD1 3.84Å; Y217-L229 HydrophobicContact CD1-CD2 4.46Å; Y217-L229 HydrophobicContact CG-CD1 4.33Å; Y217-M231 WeakPolarHBondContact CA-O 3Å; Y217-K232 HydrophobicContact CD1-CB 3.75Å; Y217-K232 HydrophobicContact CE1-CB 4.09Å; Y217-K232 HydrophobicContact CE1-CD 4.44Å; Y217-V266 WeakPolarHBondContact O-CA 3.35Å; Y217-S267 WeakPolarHBondContact CD2-O 3.36Å; Y217-S267 PolarHBondContact N-O 3.4Å; Y217-S267 PolarHBondContact O-N 3.23Å; Y217-T269 HydrophobicContact CE2-CG2 4.21Å |
| 218 | I | 98.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.7 | 169.9 | -61.7 | 176.3 | 0 | 0 | 0 | 107.4 | I184 L230 M231 Q252 F265 V266 | I184-I218 HydrophobicContact CG2-CD1 4.49Å; I184-I218 HydrophobicContact CG2-CG2 3.94Å; I218-L230 HydrophobicContact CG2-CD1 4.41Å; I218-L230 WeakPolarHBondContact O-CB 3.19Å; I218-L230 PolarHBondContact O-N 3.4Å; I218-M231 HydrophobicContact CB-CB 4.41Å; I218-M231 HydrophobicContact CB-CE 4.12Å; I218-M231 HydrophobicContact CD1-CE 3.55Å; I218-M231 HydrophobicContact CG1-CE 4.39Å; I218-M231 HydrophobicContact CG2-CE 4.05Å; I218-M231 PolarHBondContact N-O 2.99Å; I218-M231 PolarHBondContact O-N 2.87Å; I218-Q252 HydrophobicContact CD1-CG 3.79Å; I218-F265 WeakPolarHBondContact CA-O 3.39Å; I218-V266 HydrophobicContact CG1-CG2 4.44Å |
| 219 | Y | 98.5 | Very high | 91.5 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 156.7 | -176.4 | -80.1 | -86.4 | 0 | 0 | 0 | 111.6 | A146 L147 Y217 P227 I228 L229 I264 F265 | A146-Y219 HydrophobicContact CB-CD1 4.45Å; A146-Y219 HydrophobicContact CB-CD2 4.22Å; A146-Y219 HydrophobicContact CB-CE1 4.16Å; A146-Y219 HydrophobicContact CB-CE2 3.9Å; A146-Y219 HydrophobicContact CB-CG 4.49Å; L147-Y219 WeakPolarHBondContact CB-OH 3.5Å; L147-Y219 PolarHBondContact N-OH 2.98Å; Y217-Y219 VanDerWaalsContact CB-CE2 3.43Å; Y217-Y219 HydrophobicContact CG-CE2 4.03Å; Y219-P227 HydrophobicContact CD1-CB 3.85Å; Y219-P227 HydrophobicContact CD1-CG 4.44Å; Y219-P227 HydrophobicContact CG-CB 4.41Å; Y219-I228 CarbonylContact C-O 3.6Å; Y219-I228 WeakPolarHBondContact CA-O 3.26Å; Y219-L229 HydrophobicContact CD1-CB 4.1Å; Y219-L229 HydrophobicContact CD1-CD1 4.34Å; Y219-L229 HydrophobicContact CD2-CD1 4.25Å; Y219-L229 HydrophobicContact CE1-CB 3.66Å; Y219-L229 HydrophobicContact CE1-CD1 3.97Å; Y219-L229 HydrophobicContact CE1-CG 4.41Å; Y219-L229 HydrophobicContact CE2-CD1 3.89Å; Y219-L229 HydrophobicContact CG-CD1 4.46Å; Y219-I264 VanDerWaalsContact O-CA 3.24Å; Y219-I264 WeakPolarHBondContact O-CA 3.31Å; Y219-F265 VanDerWaalsContact CB-CE1 3.48Å; Y219-F265 AromaticContact CD2-CE2 3.83Å; Y219-F265 HydrophobicContact CD2-CE2 3.83Å; Y219-F265 HydrophobicContact CD2-CZ 4.15Å; Y219-F265 HydrophobicContact CG-CE1 4.42Å; Y219-F265 AromaticContact CG-CE2 3.93Å; Y219-F265 HydrophobicContact CG-CE2 3.93Å; Y219-F265 AromaticContact CG-CZ 3.77Å; Y219-F265 HydrophobicContact CG-CZ 3.77Å; Y219-F265 PolarHBondContact N-O 3Å; Y219-F265 PolarHBondContact O-N 3.34Å; Y219-F265 VanDerWaalsContact O-N 3.07Å |
| 220 | K | 97.8 | Very high | 93.3 | Very high | 36 Ų | 36 | 56.2 Ų | 56.2 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.8 | 168.5 | -178.5 | 169.5 | 81.8 | 161.3 | 0 | 110.2 | I228 L230 E257 L258 D262 R263 I264 | K220-I228 PolarHBondContact N-O 3.16Å; K220-I228 PolarHBondContact O-N 3.45Å; K220-L230 HydrophobicContact CB-CD1 3.94Å; K220-L230 HydrophobicContact CB-CD2 3.86Å; K220-L230 HydrophobicContact CB-CG 3.89Å; K220-L230 HydrophobicContact CD-CD2 4.47Å; K220-E257 PolarHBondContact NZ-O 3.36Å; K220-L258 HydrophobicContact CD-CD2 3.36Å; K220-L258 HydrophobicContact CG-CD2 4.27Å; K220-D262 HydrophobicContact CD-CB 4.39Å; K220-D262 WeakPolarHBondContact CD-OD2 3.48Å; K220-D262 HydrophobicContact CG-CB 4.45Å; K220-D262 IonicContact NZ-OD2 2.69Å; K220-R263 CarbonylContact C-O 3.5Å; K220-R263 WeakPolarHBondContact CA-O 3.27Å; K220-I264 HydrophobicContact CB-CG2 4.37Å; K220-I264 HydrophobicContact CG-CG2 4.42Å |
| 221 | S | 96.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 51 Ų | 51 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.2 | 163.6 | -65.3 | 0 | 0 | 0 | 0 | 109.2 | R263 | S221-R263 PolarHBondContact N-O 3.46Å; S221-R263 PolarHBondContact O-N 3.49Å |
| 222 | T | 94.1 | Very high | 95.5 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 22% | 0.221 | 27% | 0.274 | C | S | . | . | trans | -133.1 | -160.4 | 177.8 | -168.9 | 0 | 0 | 0 | 0 | 107.6 | Y224 I228 D262 | T222-Y224 PolarHBondContact O-N 2.96Å; T222-Y224 VanDerWaalsContact O-N 3.07Å; T222-I228 HydrophobicContact CG2-CD1 3.99Å; T222-D262 WeakPolarHBondContact CB-OD1 3.32Å; T222-D262 PolarHBondContact OG1-OD1 3.49Å | ||
| 223 | D | 89.8 | Confident | 95.8 | Very high | 168 Ų | 168 | 54.3 Ų | 54.3 | 90% | 0.898 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -67.6 | -2.5 | 173.6 | -63.2 | -32.6 | 0 | 0 | 0 | 113.4 | ||
| 224 | Y | 88.7 | Confident | 96 | Very high | 140 Ų | 140 | 50.7 Ų | 50.7 | 55% | 0.549 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -78.7 | 136.9 | 173.4 | -166.4 | -105.4 | 0 | 0 | 0 | 110.9 | T222 D226 I228 | T222-Y224 PolarHBondContact O-N 2.96Å; T222-Y224 VanDerWaalsContact O-N 3.07Å; Y224-D226 VanDerWaalsContact C-N 3.28Å; Y224-D226 HydrophobicContact CD1-CB 4.11Å; Y224-D226 WeakPolarHBondContact CD1-O 2.99Å; Y224-D226 HydrophobicContact CE1-CB 3.89Å; Y224-D226 PolarHBondContact O-N 3.45Å; Y224-I228 HydrophobicContact CD1-CG1 4.49Å |
| 225 | P | 87.5 | Confident | 96 | Very high | 114 Ų | 114 | 58.1 Ų | 58.1 | 74% | 0.74 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -59.3 | -32.5 | -174.3 | -27.2 | 34.9 | 0 | 0 | 0 | 115.3 | ||
| 226 | D | 91.7 | Very high | 95.8 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -104.1 | 144.2 | -176.8 | -59.1 | -42.6 | 0 | 0 | 0 | 111.8 | K145 Y224 I228 | K145-D226 HydrophobicContact CD-CB 4.41Å; K145-D226 WeakPolarHBondContact CD-OD1 3.37Å; K145-D226 WeakPolarHBondContact CE-OD1 3.16Å; K145-D226 IonicContact NZ-OD1 2.66Å; K145-D226 PolarHBondContact NZ-OD1 3.4Å; K145-D226 IonicContact NZ-OD2 3.55Å; K145-D226 PolarHBondContact NZ-OD2 2.88Å; Y224-D226 VanDerWaalsContact C-N 3.28Å; Y224-D226 HydrophobicContact CD1-CB 4.11Å; Y224-D226 WeakPolarHBondContact CD1-O 2.99Å; Y224-D226 HydrophobicContact CE1-CB 3.89Å; Y224-D226 PolarHBondContact O-N 3.45Å; D226-I228 PolarHBondContact O-N 3.29Å |
| 227 | P | 94.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 62 Ų | 62 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 133.5 | 173 | 27.9 | -33.1 | 0 | 0 | 0 | 111 | A146 Y219 F265 | A146-P227 HydrophobicContact CB-CG 3.82Å; Y219-P227 HydrophobicContact CD1-CB 3.85Å; Y219-P227 HydrophobicContact CD1-CG 4.44Å; Y219-P227 HydrophobicContact CG-CB 4.41Å; P227-F265 HydrophobicContact CB-CE1 4.13Å; P227-F265 HydrophobicContact CB-CZ 3.86Å |
| 228 | I | 96.6 | Very high | 95.1 | Very high | 70 Ų | 70 | 63.7 Ų | 63.7 | 36% | 0.359 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.4 | -178.3 | -56.5 | 170.9 | 0 | 0 | 0 | 108.8 | Y219 K220 T222 Y224 D226 L230 | Y219-I228 CarbonylContact C-O 3.6Å; Y219-I228 WeakPolarHBondContact CA-O 3.26Å; K220-I228 PolarHBondContact N-O 3.16Å; K220-I228 PolarHBondContact O-N 3.45Å; T222-I228 HydrophobicContact CG2-CD1 3.99Å; Y224-I228 HydrophobicContact CD1-CG1 4.49Å; D226-I228 PolarHBondContact O-N 3.29Å; I228-L230 PolarHBondContact O-N 2.97Å |
| 229 | L | 97.9 | Very high | 94.6 | Very high | 71 Ų | 71 | 72.3 Ų | 72.3 | 37% | 0.372 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 123 | 176.3 | -179.2 | 66.1 | 0 | 0 | 0 | 110 | Y217 Y219 M231 K232 | Y217-L229 HydrophobicContact CD1-CD1 3.84Å; Y217-L229 HydrophobicContact CD1-CD2 4.46Å; Y217-L229 HydrophobicContact CG-CD1 4.33Å; Y219-L229 HydrophobicContact CD1-CB 4.1Å; Y219-L229 HydrophobicContact CD1-CD1 4.34Å; Y219-L229 HydrophobicContact CD2-CD1 4.25Å; Y219-L229 HydrophobicContact CE1-CB 3.66Å; Y219-L229 HydrophobicContact CE1-CD1 3.97Å; Y219-L229 HydrophobicContact CE1-CG 4.41Å; Y219-L229 HydrophobicContact CE2-CD1 3.89Å; Y219-L229 HydrophobicContact CG-CD1 4.46Å; L229-M231 VanDerWaalsContact CD1-O 3.3Å; L229-M231 WeakPolarHBondContact CD1-O 3.45Å; L229-K232 HydrophobicContact CD2-CD 4.48Å |
| 230 | L | 98.3 | Very high | 94 | Very high | 30 Ų | 30 | 74.2 Ų | 74.2 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -49.1 | 175.1 | -59.8 | -175.3 | 0 | 0 | 0 | 111.5 | I184 I218 K220 I228 F256 I264 | I184-L230 HydrophobicContact CD1-CD1 3.69Å; I218-L230 HydrophobicContact CG2-CD1 4.41Å; I218-L230 WeakPolarHBondContact O-CB 3.19Å; I218-L230 PolarHBondContact O-N 3.4Å; K220-L230 HydrophobicContact CB-CD1 3.94Å; K220-L230 HydrophobicContact CB-CD2 3.86Å; K220-L230 HydrophobicContact CB-CG 3.89Å; K220-L230 HydrophobicContact CD-CD2 4.47Å; I228-L230 PolarHBondContact O-N 2.97Å; L230-F256 HydrophobicContact CB-CD1 4.23Å; L230-F256 HydrophobicContact CB-CD2 4.44Å; L230-F256 HydrophobicContact CB-CE1 3.86Å; L230-F256 HydrophobicContact CB-CE2 4.14Å; L230-F256 HydrophobicContact CB-CG 4.5Å; L230-F256 HydrophobicContact CB-CZ 3.82Å; L230-F256 HydrophobicContact CD1-CB 4.4Å; L230-F256 HydrophobicContact CD1-CD1 4.33Å; L230-F256 HydrophobicContact CD1-CD2 4.18Å; L230-F256 HydrophobicContact CD1-CG 4.02Å; L230-F256 HydrophobicContact CD2-CD1 3.75Å; L230-F256 HydrophobicContact CD2-CE1 4.04Å; L230-F256 HydrophobicContact CD2-CG 4.26Å; L230-F256 HydrophobicContact CG-CD1 4.33Å; L230-F256 HydrophobicContact CG-CE1 4.43Å; L230-F256 WeakPolarHBondContact O-CZ 3.26Å; L230-I264 HydrophobicContact CD1-CG2 4.4Å |
| 231 | M | 98.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 79.7 Ų | 79.7 | 12% | 0.123 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150.6 | -175 | -59.4 | 176.8 | -85.4 | 0 | 0 | 111.4 | I184 Y217 I218 L229 Q252 G253 G254 F256 | I184-M231 HydrophobicContact CB-CE 4.09Å; I184-M231 HydrophobicContact CG2-CE 4.3Å; Y217-M231 WeakPolarHBondContact CA-O 3Å; I218-M231 HydrophobicContact CB-CB 4.41Å; I218-M231 HydrophobicContact CB-CE 4.12Å; I218-M231 HydrophobicContact CD1-CE 3.55Å; I218-M231 HydrophobicContact CG1-CE 4.39Å; I218-M231 HydrophobicContact CG2-CE 4.05Å; I218-M231 PolarHBondContact N-O 2.99Å; I218-M231 PolarHBondContact O-N 2.87Å; L229-M231 VanDerWaalsContact CD1-O 3.3Å; L229-M231 WeakPolarHBondContact CD1-O 3.45Å; M231-Q252 VanDerWaalsContact CB-OE1 3.24Å; M231-G253 VanDerWaalsContact SD-C 3.51Å; M231-G254 PolarHBondContact SD-N 3.43Å; M231-G254 VanDerWaalsContact SD-N 3.44Å; M231-F256 HydrophobicContact CE-CD2 4.25Å; M231-F256 HydrophobicContact CE-CE2 3.59Å; M231-F256 HydrophobicContact CE-CZ 4.44Å; M231-F256 HydrophobicContact CG-CE2 3.6Å; M231-F256 HydrophobicContact CG-CZ 3.52Å; M231-F256 HydrophobicContact SD-CE2 3.64Å; M231-F256 HydrophobicContact SD-CZ 4.16Å |
| 232 | K | 98.3 | Very high | 92.6 | Very high | 150 Ų | 150 | 85.7 Ų | 85.7 | 65% | 0.652 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142.4 | 168.7 | 73.7 | -178.4 | -176.9 | -177.1 | 0 | 111 | Q216 Y217 L229 | Q216-K232 CarbonylContact O-C 3.58Å; Q216-K232 VanDerWaalsContact O-CA 3.27Å; Q216-K232 WeakPolarHBondContact O-CA 3.36Å; Y217-K232 HydrophobicContact CD1-CB 3.75Å; Y217-K232 HydrophobicContact CE1-CB 4.09Å; Y217-K232 HydrophobicContact CE1-CD 4.44Å; L229-K232 HydrophobicContact CD2-CD 4.48Å |
| 233 | S | 98.4 | Very high | 92.2 | Very high | 33 Ų | 33 | 85 Ų | 85 | 23% | 0.231 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 135.3 | 172.3 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | V215 Q216 I250 | V215-S233 WeakPolarHBondContact CA-O 3.4Å; Q216-S233 PolarHBondContact N-O 2.99Å; Q216-S233 PolarHBondContact O-N 2.95Å; S233-I250 WeakPolarHBondContact OG-CG2 3.32Å |
| 234 | A | 97.6 | Very high | 92.1 | Very high | 65 Ų | 65 | 83.8 Ų | 83.8 | 54% | 0.537 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M214 V215 | M214-A234 CarbonylContact O-C 3.58Å; M214-A234 WeakPolarHBondContact O-CA 3.38Å; V215-A234 HydrophobicContact CB-CB 4.47Å; V215-A234 HydrophobicContact CG1-CB 4.12Å; V215-A234 HydrophobicContact CG2-CB 3.95Å |
| 235 | R | 96.7 | Very high | 92.3 | Very high | 155 Ų | 155 | 83.6 Ų | 83.6 | 59% | 0.585 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 156.7 | 170.5 | -64.6 | -65.3 | -173.6 | 172.5 | 0.1 | 109.6 | M214 Y248 I250 | M214-R235 HydrophobicContact CE-CB 3.96Å; M214-R235 PolarHBondContact N-O 2.97Å; M214-R235 PolarHBondContact O-N 3.34Å; R235-Y248 HydrophobicContact CB-CD1 4.5Å; R235-I250 HydrophobicContact CB-CD1 4.05Å; R235-I250 HydrophobicContact CG-CD1 3.84Å; R235-I250 HydrophobicContact CG-CG1 3.91Å |
| 236 | N | 94.5 | Very high | 92.6 | Very high | 91 Ų | 91 | 78.2 Ų | 78.2 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 150.4 | 168.5 | 58.3 | 25.8 | 0 | 0 | 0 | 109.6 | K212 | K212-N236 CarbonylContact O-C 3.6Å; K212-N236 WeakPolarHBondContact O-CA 3.47Å |
| 237 | S | 93.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 80.5 Ų | 80.5 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | trans | -65.6 | 158.7 | 170.5 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | K212 Y248 | K212-S237 PolarHBondContact N-OG 3.13Å; K212-S237 PolarHBondContact O-N 3.49Å; S237-Y248 WeakPolarHBondContact CA-OH 3.4Å | ||
| 238 | C | 90.1 | Very high | 92.9 | Very high | 61 Ų | 61 | 81.8 Ų | 81.8 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | trans | -56.2 | 140.1 | 168.9 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | S240 Y248 | C238-S240 VanDerWaalsContact C-N 3.33Å; C238-S240 PolarHBondContact SG-N 3.47Å; C238-Y248 PolarHBondContact N-OH 3.41Å | ||
| 239 | W | 87.8 | Confident | 93 | Very high | 181 Ų | 181 | 81.6 Ų | 81.6 | 69% | 0.686 | 41% | 0.406 | S | S | * | . | trans | -90.2 | -6.8 | -177.6 | -63.4 | 37.2 | 0 | 0 | 0 | 111.3 | N211 | N211-W239 VanDerWaalsContact ND2-CD2 3.25Å; N211-W239 VanDerWaalsContact ND2-CE2 3.33Å | ||
| 240 | S | 85.1 | Confident | 93.1 | Very high | 51 Ų | 51 | 78.3 Ų | 78.3 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | trans | -68 | 136.6 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | C238 D242 S243 | C238-S240 VanDerWaalsContact C-N 3.33Å; C238-S240 PolarHBondContact SG-N 3.47Å; S240-D242 PolarHBondContact O-N 3.36Å; S240-D242 PolarHBondContact OG-N 3.03Å; S240-D242 VanDerWaalsContact OG-N 3.09Å; S240-S243 WeakPolarHBondContact O-CB 3.24Å; S240-S243 PolarHBondContact O-N 2.82Å | ||
| 241 | K | 80.8 | Confident | 93.1 | Very high | 151 Ų | 151 | 82.1 Ų | 82.1 | 66% | 0.657 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.3 | 170.2 | -63.4 | -176 | 180 | -176.5 | 0 | 112.8 | R209 S243 | R209-K241 PolarHBondContact NH1-O 3Å; R209-K241 PolarHBondContact NH2-O 3.48Å; K241-S243 VanDerWaalsContact C-N 3.29Å |
| 242 | D | 83.7 | Confident | 93.1 | Very high | 141 Ų | 141 | 81.9 Ų | 81.9 | 75% | 0.754 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 2.5 | 177 | -50.1 | -39.8 | 0 | 0 | 0 | 111.7 | S240 E244 | S240-D242 PolarHBondContact O-N 3.36Å; S240-D242 PolarHBondContact OG-N 3.03Å; S240-D242 VanDerWaalsContact OG-N 3.09Å; D242-E244 PolarHBondContact O-N 3Å |
| 243 | S | 85 | Confident | 93.1 | Very high | 21 Ų | 21 | 76.2 Ų | 76.2 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | trans | -71.6 | 111.3 | 176.9 | -164.5 | 0 | 0 | 0 | 0 | 109.8 | E194 R209 S240 K241 Y245 | E194-S243 WeakPolarHBondContact CB-O 3.36Å; E194-S243 WeakPolarHBondContact CG-O 3.4Å; R209-S243 PolarHBondContact NH1-O 2.86Å; S240-S243 WeakPolarHBondContact O-CB 3.24Å; S240-S243 PolarHBondContact O-N 2.82Å; K241-S243 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact OG-O 2.95Å | ||
| 244 | E | 88.9 | Confident | 93.1 | Very high | 142 Ų | 142 | 75.5 Ų | 75.5 | 66% | 0.664 | 38% | 0.382 | S | S | * | . | trans | -83.7 | -29.5 | 178.9 | -66.5 | 176.2 | -171.7 | 0 | 0 | 113 | Q193 E194 D242 | Q193-E244 WeakPolarHBondContact CG-O 3.2Å; E194-E244 PolarHBondContact N-O 3.32Å; D242-E244 PolarHBondContact O-N 3Å | ||
| 245 | Y | 91.8 | Very high | 93.1 | Very high | 136 Ų | 136 | 77.2 Ų | 77.2 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 170.2 | -178.8 | 62.6 | -92.2 | 0 | 0 | 0 | 110.9 | F192 S243 L247 | F192-Y245 CarbonylContact O-C 3.55Å; F192-Y245 VanDerWaalsContact O-CA 3.29Å; F192-Y245 WeakPolarHBondContact O-CA 3.35Å; F192-Y245 VanDerWaalsContact O-CB 3.31Å; F192-Y245 WeakPolarHBondContact O-CB 3.49Å; S243-Y245 PolarHBondContact OG-O 2.95Å; Y245-L247 HydrophobicContact CD2-CD1 4.19Å; Y245-L247 HydrophobicContact CD2-CD2 3.97Å; Y245-L247 HydrophobicContact CD2-CG 3.75Å; Y245-L247 HydrophobicContact CE2-CD1 3.76Å; Y245-L247 HydrophobicContact CE2-CD2 4.38Å; Y245-L247 HydrophobicContact CE2-CG 3.79Å |
| 246 | G | 93.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 72.4 Ų | 72.4 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 127.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R191 F192 | R191-G246 WeakPolarHBondContact CA-O 3.43Å; F192-G246 PolarHBondContact N-O 2.91Å; F192-G246 VanDerWaalsContact N-O 3.1Å; F192-G246 PolarHBondContact O-N 3.36Å |
| 247 | L | 96.9 | Very high | 93.3 | Very high | 88 Ų | 88 | 73.2 Ų | 73.2 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 109.9 | 176.4 | -48.7 | -179.7 | 0 | 0 | 0 | 108.5 | Y189 R191 Y245 | Y189-L247 HydrophobicContact CE2-CB 4.05Å; Y189-L247 WeakPolarHBondContact OH-CD2 3.21Å; R191-L247 HydrophobicContact CB-CD2 4.4Å; R191-L247 HydrophobicContact CG-CD2 3.66Å; Y245-L247 HydrophobicContact CD2-CD1 4.19Å; Y245-L247 HydrophobicContact CD2-CD2 3.97Å; Y245-L247 HydrophobicContact CD2-CG 3.75Å; Y245-L247 HydrophobicContact CE2-CD1 3.76Å; Y245-L247 HydrophobicContact CE2-CD2 4.38Å; Y245-L247 HydrophobicContact CE2-CG 3.79Å |
| 248 | Y | 97.8 | Very high | 93.5 | Very high | 51 Ų | 51 | 73.1 Ų | 73.1 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 103.7 | -175.6 | -58.6 | -91.5 | 0 | 0 | 0 | 110.8 | F190 F192 M214 R235 S237 C238 | F190-Y248 PolarHBondContact N-O 3.1Å; F190-Y248 PolarHBondContact O-N 3.37Å; F192-Y248 HydrophobicContact CE1-CD2 4.19Å; F192-Y248 HydrophobicContact CE1-CE2 4.26Å; F192-Y248 HydrophobicContact CZ-CD2 4.41Å; F192-Y248 HydrophobicContact CZ-CE2 4.02Å; M214-Y248 HydrophobicContact CE-CD1 3.76Å; M214-Y248 HydrophobicContact CE-CD2 3.41Å; M214-Y248 VanDerWaalsContact CE-CD2 3.41Å; M214-Y248 HydrophobicContact CE-CE1 4.08Å; M214-Y248 HydrophobicContact CE-CE2 3.75Å; M214-Y248 HydrophobicContact CE-CG 3.42Å; M214-Y248 VanDerWaalsContact CE-CG 3.42Å; M214-Y248 HydrophobicContact SD-CD2 3.5Å; M214-Y248 VanDerWaalsContact SD-CD2 3.5Å; M214-Y248 HydrophobicContact SD-CE2 4.22Å; M214-Y248 HydrophobicContact SD-CG 3.77Å; R235-Y248 HydrophobicContact CB-CD1 4.5Å; S237-Y248 WeakPolarHBondContact CA-OH 3.4Å; C238-Y248 PolarHBondContact N-OH 3.41Å |
| 249 | S | 98.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 76.3 Ų | 76.3 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123 | 168.9 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | Y189 | Y189-S249 VanDerWaalsContact CD2-OG 3.23Å; Y189-S249 WeakPolarHBondContact CD2-OG 3.25Å |
| 250 | I | 98.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 108.4 | 175.8 | -56.7 | -174.8 | 0 | 0 | 0 | 107.8 | Q187 T188 F190 M214 Q216 S233 R235 | Q187-I250 CarbonylContact C-O 3.53Å; Q187-I250 VanDerWaalsContact CA-O 3.27Å; Q187-I250 WeakPolarHBondContact CA-O 3.44Å; T188-I250 PolarHBondContact N-O 3.14Å; T188-I250 PolarHBondContact O-N 2.99Å; F190-I250 HydrophobicContact CD2-CD1 4.03Å; F190-I250 HydrophobicContact CD2-CG1 4.26Å; F190-I250 HydrophobicContact CE2-CD1 3.72Å; F190-I250 HydrophobicContact CE2-CG1 4.25Å; M214-I250 HydrophobicContact CB-CD1 4Å; M214-I250 WeakPolarHBondContact O-CD1 3.43Å; Q216-I250 HydrophobicContact CB-CG2 3.99Å; Q216-I250 PolarHBondContact NE2-O 3.03Å; Q216-I250 PolarHBondContact OE1-O 2.9Å; S233-I250 WeakPolarHBondContact OG-CG2 3.32Å; R235-I250 HydrophobicContact CB-CD1 4.05Å; R235-I250 HydrophobicContact CG-CD1 3.84Å; R235-I250 HydrophobicContact CG-CG1 3.91Å |
| 251 | Y | 98.8 | Very high | 94.9 | Very high | 109 Ų | 109 | 75.5 Ų | 75.5 | 43% | 0.427 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.3 | 170.2 | 178.6 | -88 | 0 | 0 | 0 | 109.9 | Y183 Y185 S186 Q187 F282 | Y183-Y251 PolarHBondContact OH-OH 3.34Å; Y183-Y251 VanDerWaalsContact OH-OH 3.14Å; Y185-Y251 WeakPolarHBondContact CB-OH 3.43Å; Y185-Y251 HydrophobicContact CD2-CE2 4.02Å; Y185-Y251 HydrophobicContact CG-CE2 4.44Å; S186-Y251 WeakPolarHBondContact O-CA 3.48Å; Q187-Y251 HydrophobicContact CB-CD2 4.19Å; Y251-F282 HydrophobicContact CD2-CE2 4.35Å; Y251-F282 HydrophobicContact CE2-CE2 4.34Å |
| 252 | Q | 98.5 | Very high | 95.7 | Very high | 21 Ų | 21 | 68.5 Ų | 68.5 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 156.2 | 166.4 | 74.1 | -169.7 | -55.8 | 0 | 0 | 110.4 | Y185 S186 Q216 I218 M231 | Y185-Q252 VanDerWaalsContact CA-O 3.25Å; Y185-Q252 WeakPolarHBondContact CA-O 3.36Å; S186-Q252 PolarHBondContact N-O 3.39Å; S186-Q252 PolarHBondContact O-N 2.97Å; S186-Q252 VanDerWaalsContact O-N 3.13Å; Q216-Q252 PolarHBondContact O-NE2 2.71Å; I218-Q252 HydrophobicContact CD1-CG 3.79Å; M231-Q252 VanDerWaalsContact CB-OE1 3.24Å |
| 253 | G | 98.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 32% | 0.32 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 159.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | I184 M231 | I184-G253 CarbonylContact O-C 3.49Å; I184-G253 WeakPolarHBondContact O-CA 3.43Å; M231-G253 VanDerWaalsContact SD-C 3.51Å |
| 254 | G | 98.3 | Very high | 97 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | 166.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y183 I184 M231 | Y183-G254 WeakPolarHBondContact CA-O 3.25Å; I184-G254 PolarHBondContact N-O 3.37Å; I184-G254 PolarHBondContact O-N 3.3Å; M231-G254 PolarHBondContact SD-N 3.43Å; M231-G254 VanDerWaalsContact SD-N 3.44Å |
| 255 | I | 98.5 | Very high | 97.5 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 52% | 0.518 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.3 | -175.7 | -55.6 | 171.8 | 0 | 0 | 0 | 109.7 | F181 Y182 Y183 I288 | F181-I255 HydrophobicContact CB-CG2 4.02Å; F181-I255 HydrophobicContact CD1-CG2 4.42Å; Y182-I255 VanDerWaalsContact O-CA 3.29Å; Y182-I255 WeakPolarHBondContact O-CA 3.34Å; Y183-I255 HydrophobicContact CD2-CG1 4Å; I255-I288 HydrophobicContact CD1-CD1 3.64Å; I255-I288 HydrophobicContact CG1-CD1 3.72Å; I255-I288 HydrophobicContact CG2-CD1 4.21Å |
| 256 | F | 98.2 | Very high | 97.8 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.4 | 177.8 | -64 | -90 | 0 | 0 | 0 | 110.8 | Y182 I184 L230 M231 L258 | Y182-F256 PolarHBondContact N-O 2.97Å; Y182-F256 PolarHBondContact O-N 3.06Å; I184-F256 HydrophobicContact CD1-CB 4.15Å; I184-F256 HydrophobicContact CD1-CD2 3.97Å; I184-F256 HydrophobicContact CD1-CG 4.4Å; L230-F256 HydrophobicContact CB-CD1 4.23Å; L230-F256 HydrophobicContact CB-CD2 4.44Å; L230-F256 HydrophobicContact CB-CE1 3.86Å; L230-F256 HydrophobicContact CB-CE2 4.14Å; L230-F256 HydrophobicContact CB-CG 4.5Å; L230-F256 HydrophobicContact CB-CZ 3.82Å; L230-F256 HydrophobicContact CD1-CB 4.4Å; L230-F256 HydrophobicContact CD1-CD1 4.33Å; L230-F256 HydrophobicContact CD1-CD2 4.18Å; L230-F256 HydrophobicContact CD1-CG 4.02Å; L230-F256 HydrophobicContact CD2-CD1 3.75Å; L230-F256 HydrophobicContact CD2-CE1 4.04Å; L230-F256 HydrophobicContact CD2-CG 4.26Å; L230-F256 HydrophobicContact CG-CD1 4.33Å; L230-F256 HydrophobicContact CG-CE1 4.43Å; L230-F256 WeakPolarHBondContact O-CZ 3.26Å; M231-F256 HydrophobicContact CE-CD2 4.25Å; M231-F256 HydrophobicContact CE-CE2 3.59Å; M231-F256 HydrophobicContact CE-CZ 4.44Å; M231-F256 HydrophobicContact CG-CE2 3.6Å; M231-F256 HydrophobicContact CG-CZ 3.52Å; M231-F256 HydrophobicContact SD-CE2 3.64Å; M231-F256 HydrophobicContact SD-CZ 4.16Å; F256-L258 HydrophobicContact CB-CD2 4.41Å |
| 257 | E | 97.4 | Very high | 98 | Very high | 109 Ų | 109 | 51.9 Ų | 51.9 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.4 | 167.5 | -165.7 | -174.2 | 172.3 | 0 | 0 | 109.6 | F181 K220 | F181-E257 HydrophobicContact CD1-CB 3.92Å; F181-E257 HydrophobicContact CD1-CG 4.39Å; F181-E257 HydrophobicContact CE1-CB 3.72Å; F181-E257 HydrophobicContact CE1-CG 4.08Å; K220-E257 PolarHBondContact NZ-O 3.36Å |
| 258 | L | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.6 | 176.6 | -54.5 | 179.8 | 0 | 0 | 0 | 109.2 | I176 T179 G180 Y182 I184 K220 F256 D262 I264 | I176-L258 HydrophobicContact CD1-CD1 3.52Å; I176-L258 HydrophobicContact CG1-CB 3.99Å; I176-L258 HydrophobicContact CG1-CD1 3.61Å; I176-L258 HydrophobicContact CG1-CG 4.42Å; I176-L258 HydrophobicContact CG2-CB 4.25Å; T179-L258 VanDerWaalsContact CA-O 3.3Å; T179-L258 WeakPolarHBondContact CA-O 3.41Å; G180-L258 PolarHBondContact N-O 3.33Å; G180-L258 PolarHBondContact O-N 3.39Å; Y182-L258 HydrophobicContact CD2-CB 3.85Å; Y182-L258 HydrophobicContact CD2-CD1 3.78Å; Y182-L258 HydrophobicContact CD2-CG 3.96Å; Y182-L258 HydrophobicContact CE2-CB 4.21Å; Y182-L258 HydrophobicContact CG-CD1 3.81Å; Y182-L258 HydrophobicContact CG-CG 4.4Å; I184-L258 HydrophobicContact CD1-CD1 3.99Å; I184-L258 HydrophobicContact CD1-CD2 4.39Å; I184-L258 HydrophobicContact CG1-CD1 4.49Å; K220-L258 HydrophobicContact CD-CD2 3.36Å; K220-L258 HydrophobicContact CG-CD2 4.27Å; F256-L258 HydrophobicContact CB-CD2 4.41Å; L258-D262 HydrophobicContact CB-CB 4.36Å; L258-I264 HydrophobicContact CD1-CD1 4.3Å; L258-I264 HydrophobicContact CD1-CG2 3.98Å; L258-I264 HydrophobicContact CD2-CG2 4.04Å |
| 259 | K | 97.4 | Very high | 98 | Very high | 129 Ų | 129 | 46.7 Ų | 46.7 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | trans | -90.3 | 158.3 | 173.6 | -64 | -178.5 | -179.9 | -178 | 0 | 110.4 | N261 D262 | K259-N261 PolarHBondContact O-N 3.39Å; K259-D262 PolarHBondContact N-OD2 2.98Å; K259-D262 VanDerWaalsContact O-CB 3.25Å; K259-D262 WeakPolarHBondContact O-CB 3.3Å; K259-D262 PolarHBondContact O-N 2.99Å | ||
| 260 | E | 97 | Very high | 97.8 | Very high | 115 Ų | 115 | 45.9 Ų | 45.9 | 54% | 0.537 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 135.4 | 165.9 | -170.2 | -177.9 | 179.1 | 0 | 0 | 110.4 | T179 D262 | T179-E260 PolarHBondContact OG1-N 3.03Å; E260-D262 PolarHBondContact O-N 3.42Å |
| 261 | N | 97.1 | Very high | 97.6 | Very high | 99 Ų | 99 | 48.3 Ų | 48.3 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | -0.7 | -174.8 | -52.9 | -60.5 | 0 | 0 | 0 | 116.6 | I176 K259 R263 | I176-N261 PolarHBondContact O-N 3.23Å; K259-N261 PolarHBondContact O-N 3.39Å; N261-R263 WeakPolarHBondContact O-CG 3.45Å |
| 262 | D | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -58.2 | 145.8 | 163.7 | -79.4 | -11.7 | 0 | 0 | 0 | 109.1 | I176 K220 T222 L258 K259 E260 | I176-D262 HydrophobicContact CG1-CB 4.36Å; I176-D262 WeakPolarHBondContact CG1-O 3.36Å; I176-D262 PolarHBondContact N-O 3.16Å; K220-D262 HydrophobicContact CD-CB 4.39Å; K220-D262 WeakPolarHBondContact CD-OD2 3.48Å; K220-D262 HydrophobicContact CG-CB 4.45Å; K220-D262 IonicContact NZ-OD2 2.69Å; T222-D262 WeakPolarHBondContact CB-OD1 3.32Å; T222-D262 PolarHBondContact OG1-OD1 3.49Å; L258-D262 HydrophobicContact CB-CB 4.36Å; K259-D262 PolarHBondContact N-OD2 2.98Å; K259-D262 VanDerWaalsContact O-CB 3.25Å; K259-D262 WeakPolarHBondContact O-CB 3.3Å; K259-D262 PolarHBondContact O-N 2.99Å; E260-D262 PolarHBondContact O-N 3.42Å | ||
| 263 | R | 98.1 | Very high | 97 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 34% | 0.343 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130.9 | -178.6 | -50.1 | -172.6 | -61 | -97.6 | -7.5 | 109 | E173 L174 V175 K220 S221 N261 | E173-R263 HydrophobicContact CB-CB 4.14Å; E173-R263 HydrophobicContact CG-CB 4.47Å; E173-R263 WeakPolarHBondContact OE2-CB 3.38Å; E173-R263 WeakPolarHBondContact OE2-CD 3.44Å; E173-R263 IonicContact OE2-CZ 2.8Å; E173-R263 IonicContact OE2-NE 2.72Å; E173-R263 PolarHBondContact OE2-NE 3.01Å; L174-R263 CarbonylContact O-C 3.56Å; L174-R263 WeakPolarHBondContact O-CA 3.4Å; V175-R263 HydrophobicContact CG1-CG 4.4Å; V175-R263 HydrophobicContact CG2-CG 4.11Å; K220-R263 CarbonylContact C-O 3.5Å; K220-R263 WeakPolarHBondContact CA-O 3.27Å; S221-R263 PolarHBondContact N-O 3.46Å; S221-R263 PolarHBondContact O-N 3.49Å; N261-R263 WeakPolarHBondContact O-CG 3.45Å |
| 264 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.2 | 178.3 | 59.2 | 173.5 | 0 | 0 | 0 | 110.6 | E173 L174 I176 I184 Y219 K220 L230 L258 F283 A285 | E173-I264 CarbonylContact C-O 3.59Å; E173-I264 VanDerWaalsContact CA-O 3.26Å; E173-I264 WeakPolarHBondContact CA-O 3.23Å; L174-I264 HydrophobicContact CB-CD1 4.25Å; L174-I264 HydrophobicContact CB-CG1 3.74Å; L174-I264 HydrophobicContact CD1-CD1 4.39Å; L174-I264 PolarHBondContact N-O 2.74Å; L174-I264 PolarHBondContact O-N 3.48Å; I176-I264 HydrophobicContact CD1-CD1 4.5Å; I184-I264 HydrophobicContact CD1-CD1 4.03Å; I184-I264 HydrophobicContact CD1-CG2 4.23Å; I184-I264 HydrophobicContact CG1-CD1 4Å; I184-I264 HydrophobicContact CG2-CD1 3.89Å; Y219-I264 VanDerWaalsContact O-CA 3.24Å; Y219-I264 WeakPolarHBondContact O-CA 3.31Å; K220-I264 HydrophobicContact CB-CG2 4.37Å; K220-I264 HydrophobicContact CG-CG2 4.42Å; L230-I264 HydrophobicContact CD1-CG2 4.4Å; L258-I264 HydrophobicContact CD1-CD1 4.3Å; L258-I264 HydrophobicContact CD1-CG2 3.98Å; L258-I264 HydrophobicContact CD2-CG2 4.04Å; I264-F283 HydrophobicContact CB-CZ 4.16Å; I264-F283 HydrophobicContact CD1-CE2 4.4Å; I264-F283 HydrophobicContact CD1-CZ 3.78Å; I264-F283 HydrophobicContact CG1-CE1 4.27Å; I264-F283 HydrophobicContact CG1-CZ 3.72Å; I264-A285 HydrophobicContact CD1-CB 3.99Å |
| 265 | F | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 162.9 | -179.8 | 62.6 | -86 | 0 | 0 | 0 | 112.8 | A146 K150 E173 I218 Y219 P227 | A146-F265 HydrophobicContact CB-CE2 4.23Å; A146-F265 HydrophobicContact CB-CZ 4.21Å; K150-F265 HydrophobicContact CB-CD2 4.22Å; K150-F265 HydrophobicContact CB-CE2 4.43Å; K150-F265 HydrophobicContact CD-CB 4Å; K150-F265 HydrophobicContact CD-CD1 4.4Å; K150-F265 HydrophobicContact CD-CD2 3.45Å; K150-F265 VanDerWaalsContact CD-CD2 3.45Å; K150-F265 HydrophobicContact CD-CE2 3.93Å; K150-F265 HydrophobicContact CD-CG 3.7Å; K150-F265 HydrophobicContact CG-CB 4.32Å; K150-F265 HydrophobicContact CG-CD2 3.65Å; K150-F265 HydrophobicContact CG-CE2 4.27Å; K150-F265 HydrophobicContact CG-CG 4.23Å; E173-F265 HydrophobicContact CB-CB 4.47Å; E173-F265 HydrophobicContact CG-CB 3.67Å; E173-F265 HydrophobicContact CG-CD1 3.87Å; E173-F265 HydrophobicContact CG-CG 4.07Å; I218-F265 WeakPolarHBondContact CA-O 3.39Å; Y219-F265 VanDerWaalsContact CB-CE1 3.48Å; Y219-F265 AromaticContact CD2-CE2 3.83Å; Y219-F265 HydrophobicContact CD2-CE2 3.83Å; Y219-F265 HydrophobicContact CD2-CZ 4.15Å; Y219-F265 HydrophobicContact CG-CE1 4.42Å; Y219-F265 AromaticContact CG-CE2 3.93Å; Y219-F265 HydrophobicContact CG-CE2 3.93Å; Y219-F265 AromaticContact CG-CZ 3.77Å; Y219-F265 HydrophobicContact CG-CZ 3.77Å; Y219-F265 PolarHBondContact N-O 3Å; Y219-F265 PolarHBondContact O-N 3.34Å; Y219-F265 VanDerWaalsContact O-N 3.07Å; P227-F265 HydrophobicContact CB-CE1 4.13Å; P227-F265 HydrophobicContact CB-CZ 3.86Å |
| 266 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.4 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | K150 I151 W154 T188 Q216 Y217 I218 V268 F283 | K150-V266 WeakPolarHBondContact CA-O 3.4Å; I151-V266 HydrophobicContact CD1-CG1 4.13Å; I151-V266 PolarHBondContact N-O 3.09Å; W154-V266 HydrophobicContact CZ2-CB 4.12Å; W154-V266 HydrophobicContact CZ2-CG2 4.24Å; T188-V266 HydrophobicContact CG2-CG1 4.21Å; Q216-V266 HydrophobicContact CG-CG1 3.93Å; Y217-V266 WeakPolarHBondContact O-CA 3.35Å; I218-V266 HydrophobicContact CG1-CG2 4.44Å; V266-V268 HydrophobicContact CG1-CG1 4.33Å; V266-F283 HydrophobicContact CG2-CB 4.11Å; V266-F283 HydrophobicContact CG2-CD1 3.89Å; V266-F283 HydrophobicContact CG2-CD2 3.58Å; V266-F283 HydrophobicContact CG2-CE1 4.18Å; V266-F283 HydrophobicContact CG2-CE2 3.89Å; V266-F283 HydrophobicContact CG2-CG 3.6Å; V266-F283 HydrophobicContact CG2-CZ 4.18Å |
| 267 | S | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.7 | 171.3 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | L147 G148 Q149 Y217 | L147-S267 WeakPolarHBondContact O-CB 3.42Å; L147-S267 PolarHBondContact O-OG 3.02Å; G148-S267 WeakPolarHBondContact CA-OG 3.47Å; Q149-S267 PolarHBondContact N-OG 2.98Å; Q149-S267 VanDerWaalsContact N-OG 3.13Å; Q149-S267 CarbonylContact O-C 3.53Å; Q149-S267 VanDerWaalsContact O-CA 3.31Å; Q149-S267 WeakPolarHBondContact O-CA 3.43Å; Q149-S267 PolarHBondContact O-OG 2.84Å; Y217-S267 WeakPolarHBondContact CD2-O 3.36Å; Y217-S267 PolarHBondContact N-O 3.4Å; Y217-S267 PolarHBondContact O-N 3.23Å |
| 268 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 149.3 | -176.8 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | G148 Q149 I151 T188 F190 V215 Q216 V266 E271 I274 | G148-V268 CarbonylContact C-O 2.98Å; G148-V268 VanDerWaalsContact CA-O 3.26Å; G148-V268 WeakPolarHBondContact CA-O 3.38Å; Q149-V268 PolarHBondContact N-O 3.21Å; Q149-V268 PolarHBondContact O-N 2.88Å; I151-V268 HydrophobicContact CD1-CG1 3.8Å; I151-V268 HydrophobicContact CD1-CG2 4.02Å; I151-V268 HydrophobicContact CG1-CG1 4.45Å; I151-V268 HydrophobicContact CG1-CG2 3.97Å; T188-V268 HydrophobicContact CG2-CG1 3.86Å; F190-V268 HydrophobicContact CZ-CB 4.16Å; F190-V268 HydrophobicContact CZ-CG1 4.3Å; V215-V268 CarbonylContact O-C 3.53Å; V215-V268 VanDerWaalsContact O-CA 3.24Å; V215-V268 WeakPolarHBondContact O-CA 3.42Å; Q216-V268 HydrophobicContact CB-CG1 4.46Å; Q216-V268 HydrophobicContact CG-CG1 4.39Å; V266-V268 HydrophobicContact CG1-CG1 4.33Å; V268-E271 HydrophobicContact CG2-CB 3.89Å; V268-E271 HydrophobicContact CG2-CG 4.17Å; V268-I274 HydrophobicContact CG1-CD1 4.47Å; V268-I274 HydrophobicContact CG2-CD1 4.43Å; V268-I274 HydrophobicContact CG2-CG1 4.01Å |
| 269 | T | 96.3 | Very high | 95.8 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -72.7 | 159.6 | 159.1 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | F190 Q213 M214 V215 Y217 E271 | F190-T269 VanDerWaalsContact CE1-O 3.25Å; F190-T269 WeakPolarHBondContact CE1-O 3.48Å; Q213-T269 WeakPolarHBondContact O-CB 3.41Å; Q213-T269 PolarHBondContact O-OG1 2.97Å; M214-T269 WeakPolarHBondContact CA-OG1 3.34Å; V215-T269 HydrophobicContact CB-CG2 4.06Å; V215-T269 HydrophobicContact CG2-CG2 4.18Å; V215-T269 PolarHBondContact N-OG1 3.36Å; V215-T269 PolarHBondContact O-N 3.4Å; Y217-T269 HydrophobicContact CE2-CG2 4.21Å; T269-E271 VanDerWaalsContact C-N 3.26Å; T269-E271 PolarHBondContact O-N 2.91Å; T269-E271 VanDerWaalsContact O-N 3.1Å |
| 270 | N | 93.4 | Very high | 95.7 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 48.1 | 43.2 | 173.1 | -61 | -65 | 0 | 0 | 0 | 114.8 | F190 Q213 Q272 L273 | F190-N270 HydrophobicContact CE1-CB 4.5Å; Q213-N270 PolarHBondContact O-ND2 3.46Å; N270-Q272 VanDerWaalsContact C-OE1 3.3Å; N270-Q272 PolarHBondContact O-N 3.48Å; N270-Q272 PolarHBondContact OD1-NE2 3.01Å; N270-L273 HydrophobicContact CB-CD1 3.75Å; N270-L273 HydrophobicContact CB-CG 4.03Å; N270-L273 WeakPolarHBondContact O-CB 3.31Å; N270-L273 PolarHBondContact O-N 3.35Å |
| 271 | E | 94.1 | Very high | 95.7 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -49.1 | -33.4 | -178.4 | -174.9 | -171.3 | -170.2 | 0 | 0 | 112.9 | Q149 V268 T269 L273 I274 | Q149-E271 HydrophobicContact CB-CB 4.1Å; Q149-E271 WeakPolarHBondContact CB-OE2 3.29Å; Q149-E271 PolarHBondContact OE1-OE2 3.08Å; V268-E271 HydrophobicContact CG2-CB 3.89Å; V268-E271 HydrophobicContact CG2-CG 4.17Å; T269-E271 VanDerWaalsContact C-N 3.26Å; T269-E271 PolarHBondContact O-N 2.91Å; T269-E271 VanDerWaalsContact O-N 3.1Å; E271-L273 PolarHBondContact O-N 2.96Å; E271-I274 WeakPolarHBondContact O-CB 3.49Å; E271-I274 WeakPolarHBondContact O-CG1 3.37Å; E271-I274 PolarHBondContact O-N 3.43Å |
| 272 | Q | 92.1 | Very high | 95.7 | Very high | 99 Ų | 99 | 34.5 Ų | 34.5 | 46% | 0.463 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -58.8 | -21 | 178.6 | 67.8 | -78.9 | -1.4 | 0 | 0 | 114.4 | R133 N270 | R133-Q272 PolarHBondContact NH2-O 3.2Å; R133-Q272 VanDerWaalsContact NH2-O 3.12Å; N270-Q272 VanDerWaalsContact C-OE1 3.3Å; N270-Q272 PolarHBondContact O-N 3.48Å; N270-Q272 PolarHBondContact OD1-NE2 3.01Å |
| 273 | L | 94.4 | Very high | 95.7 | Very high | 29 Ų | 29 | 34.3 Ų | 34.3 | 15% | 0.152 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -95 | -0.7 | 179.4 | -47.1 | -179 | 0 | 0 | 0 | 112.8 | F190 R191 F192 K212 N270 E271 | F190-L273 CarbonylContact C-O 3.5Å; F190-L273 WeakPolarHBondContact CA-O 3.49Å; F190-L273 HydrophobicContact CD1-CB 4.39Å; R191-L273 PolarHBondContact N-O 3.48Å; F192-L273 HydrophobicContact CB-CB 4.48Å; F192-L273 HydrophobicContact CB-CD1 4.48Å; F192-L273 HydrophobicContact CB-CD2 3.92Å; F192-L273 HydrophobicContact CD1-CB 4.21Å; F192-L273 HydrophobicContact CD1-CD1 3.76Å; F192-L273 HydrophobicContact CD1-CG 4.42Å; F192-L273 HydrophobicContact CE1-CD1 4.27Å; F192-L273 HydrophobicContact CG-CD1 4.2Å; F192-L273 HydrophobicContact CG-CD2 4.48Å; K212-L273 HydrophobicContact CD-CD1 3.77Å; N270-L273 HydrophobicContact CB-CD1 3.75Å; N270-L273 HydrophobicContact CB-CG 4.03Å; N270-L273 WeakPolarHBondContact O-CB 3.31Å; N270-L273 PolarHBondContact O-N 3.35Å; E271-L273 PolarHBondContact O-N 2.96Å |
| 274 | I | 96.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 30 Ų | 30 | 7% | 0.072 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 128 | 177.7 | -61.2 | -62.6 | 0 | 0 | 0 | 109.7 | Y189 F190 V268 E271 M276 | Y189-I274 WeakPolarHBondContact O-CA 3.44Å; F190-I274 HydrophobicContact CD1-CD1 3.59Å; F190-I274 HydrophobicContact CD2-CD1 3.78Å; F190-I274 HydrophobicContact CE1-CD1 3.45Å; F190-I274 VanDerWaalsContact CE1-CD1 3.45Å; F190-I274 HydrophobicContact CE1-CG1 4.36Å; F190-I274 HydrophobicContact CE2-CD1 3.62Å; F190-I274 HydrophobicContact CG-CD1 3.77Å; F190-I274 HydrophobicContact CZ-CD1 3.48Å; F190-I274 VanDerWaalsContact CZ-CD1 3.48Å; V268-I274 HydrophobicContact CG1-CD1 4.47Å; V268-I274 HydrophobicContact CG2-CD1 4.43Å; V268-I274 HydrophobicContact CG2-CG1 4.01Å; E271-I274 WeakPolarHBondContact O-CB 3.49Å; E271-I274 WeakPolarHBondContact O-CG1 3.37Å; E271-I274 PolarHBondContact O-N 3.43Å; I274-M276 HydrophobicContact CG2-CG 4.07Å; I274-M276 HydrophobicContact CG2-SD 3.6Å; I274-M276 VanDerWaalsContact CG2-SD 3.6Å |
| 275 | D | 95.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 30 Ų | 30 | 10% | 0.096 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122.7 | 165.3 | -161.1 | -39.3 | 0 | 0 | 0 | 109.5 | Y189 R191 D277 S281 | Y189-D275 HydrophobicContact CD1-CB 3.63Å; Y189-D275 HydrophobicContact CE1-CB 4.34Å; Y189-D275 HydrophobicContact CG-CB 4.37Å; Y189-D275 PolarHBondContact O-N 3.4Å; R191-D275 HydrophobicContact CB-CB 4.27Å; R191-D275 IonicContact CZ-OD2 3.91Å; R191-D275 IonicContact NE-OD2 3.35Å; R191-D275 PolarHBondContact NE-OD2 3.47Å; R191-D275 IonicContact NH2-OD2 2.81Å; R191-D275 PolarHBondContact NH2-OD2 2.68Å; D275-D277 WeakPolarHBondContact OD1-CB 3.35Å; D275-D277 PolarHBondContact OD1-N 3.31Å; D275-S281 VanDerWaalsContact O-CB 3.3Å; D275-S281 WeakPolarHBondContact O-CB 3.37Å; D275-S281 PolarHBondContact O-OG 2.96Å |
| 276 | M | 94.1 | Very high | 95.7 | Very high | 33 Ų | 33 | 33.9 Ų | 33.9 | 16% | 0.163 | 17% | 0.168 | C | C | . | . | trans | -102.9 | 19.7 | -175.7 | -69.4 | -63.1 | -75.3 | 0 | 0 | 112.7 | G128 T129 I151 A153 W154 I274 | G128-M276 CarbonylContact C-O 3.59Å; G128-M276 VanDerWaalsContact CA-O 3.23Å; G128-M276 WeakPolarHBondContact CA-O 3.33Å; T129-M276 CarbonylContact C-O 3.55Å; T129-M276 PolarHBondContact N-O 2.81Å; I151-M276 HydrophobicContact CG2-CE 3.68Å; I151-M276 HydrophobicContact CG2-SD 4.26Å; A153-M276 HydrophobicContact CB-CE 4.12Å; A153-M276 VanDerWaalsContact O-CE 3.31Å; A153-M276 WeakPolarHBondContact O-CE 3.31Å; W154-M276 HydrophobicContact CE3-CE 4.05Å; W154-M276 HydrophobicContact CZ3-CE 4.04Å; I274-M276 HydrophobicContact CG2-CG 4.07Å; I274-M276 HydrophobicContact CG2-SD 3.6Å; I274-M276 VanDerWaalsContact CG2-SD 3.6Å | ||
| 277 | D | 92.8 | Very high | 95.6 | Very high | 63 Ų | 63 | 36.1 Ų | 36.1 | 34% | 0.337 | 18% | 0.18 | S | C | . | . | trans | -59.5 | 146.3 | 166.1 | -74.7 | -13.2 | 0 | 0 | 0 | 111 | S130 D275 E279 A280 S281 | S130-D277 WeakPolarHBondContact CB-OD1 3.37Å; S130-D277 PolarHBondContact OG-OD1 3.35Å; D275-D277 WeakPolarHBondContact OD1-CB 3.35Å; D275-D277 PolarHBondContact OD1-N 3.31Å; D277-E279 VanDerWaalsContact C-N 3.28Å; D277-E279 PolarHBondContact O-N 3.29Å; D277-A280 HydrophobicContact CB-CB 4.25Å; D277-A280 PolarHBondContact O-N 3.04Å; D277-A280 VanDerWaalsContact O-N 3.1Å; D277-S281 PolarHBondContact O-N 3.15Å | ||
| 278 | Q | 91.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 40.5 Ų | 40.5 | 28% | 0.28 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -33.4 | -163.5 | -68.6 | -177 | 18.1 | 0 | 0 | 112.8 | T127 G128 | T127-Q278 WeakPolarHBondContact CB-O 3.41Å; T127-Q278 HydrophobicContact CG2-CB 4.38Å; T127-Q278 VanDerWaalsContact CG2-O 3.26Å; T127-Q278 WeakPolarHBondContact CG2-O 3.49Å; G128-Q278 WeakPolarHBondContact O-CG 3.46Å |
| 279 | E | 92.2 | Very high | 94.1 | Very high | 128 Ų | 128 | 44.5 Ų | 44.5 | 60% | 0.598 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -20.3 | -178.5 | -52.9 | 79.7 | -177.8 | 0 | 0 | 111.9 | D277 | D277-E279 VanDerWaalsContact C-N 3.28Å; D277-E279 PolarHBondContact O-N 3.29Å |
| 280 | A | 94.8 | Very high | 94 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -47.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q187 Y189 D277 | Q187-A280 PolarHBondContact NE2-O 2.04Å; Y189-A280 HydrophobicContact CD1-CB 3.72Å; Y189-A280 HydrophobicContact CG-CB 4.17Å; D277-A280 HydrophobicContact CB-CB 4.25Å; D277-A280 PolarHBondContact O-N 3.04Å; D277-A280 VanDerWaalsContact O-N 3.1Å |
| 281 | S | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -124 | 125.9 | -177.1 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | G128 Q187 Y189 D275 D277 | G128-S281 PolarHBondContact N-O 2.89Å; Q187-S281 CarbonylContact O-C 3.59Å; Q187-S281 VanDerWaalsContact O-CA 3.32Å; Q187-S281 WeakPolarHBondContact O-CA 3.47Å; Y189-S281 PolarHBondContact N-OG 3.07Å; D275-S281 VanDerWaalsContact O-CB 3.3Å; D275-S281 WeakPolarHBondContact O-CB 3.37Å; D275-S281 PolarHBondContact O-OG 2.96Å; D277-S281 PolarHBondContact O-N 3.15Å |
| 282 | F | 97.3 | Very high | 94 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 161.6 | -176.7 | 51.4 | -100.9 | 0 | 0 | 0 | 112.4 | H125 I126 T127 Y185 S186 Q187 Y251 | H125-F282 AromaticContact CE1-CD2 3.64Å; H125-F282 AromaticContact CE1-CG 3.68Å; I126-F282 CarbonylContact O-C 3.5Å; I126-F282 VanDerWaalsContact O-CA 3.27Å; I126-F282 WeakPolarHBondContact O-CA 3.27Å; I126-F282 WeakPolarHBondContact O-CB 3.3Å; T127-F282 HydrophobicContact CG2-CB 4.17Å; Y185-F282 HydrophobicContact CD2-CD2 4.31Å; Y185-F282 HydrophobicContact CD2-CE2 4.21Å; Y185-F282 HydrophobicContact CE2-CD2 4.05Å; Y185-F282 HydrophobicContact CE2-CE2 4.16Å; S186-F282 CarbonylContact C-O 3.54Å; S186-F282 VanDerWaalsContact CA-O 3.25Å; S186-F282 WeakPolarHBondContact CA-O 3.24Å; S186-F282 WeakPolarHBondContact CB-O 3.48Å; S186-F282 PolarHBondContact OG-O 3.45Å; Q187-F282 HydrophobicContact CB-CD1 4.12Å; Q187-F282 HydrophobicContact CB-CD2 3.98Å; Q187-F282 HydrophobicContact CB-CE1 3.68Å; Q187-F282 HydrophobicContact CB-CE2 3.52Å; Q187-F282 HydrophobicContact CB-CG 4.26Å; Q187-F282 HydrophobicContact CB-CZ 3.35Å; Q187-F282 HydrophobicContact CG-CE1 4.3Å; Q187-F282 HydrophobicContact CG-CZ 4.18Å; Q187-F282 PolarHBondContact N-O 3.18Å; Q187-F282 PolarHBondContact O-N 2.89Å; Q187-F282 VanDerWaalsContact O-O 3.1Å; Y251-F282 HydrophobicContact CD2-CE2 4.35Å; Y251-F282 HydrophobicContact CE2-CE2 4.34Å |
| 283 | F | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140.2 | 179.6 | 178.7 | -144.9 | 0 | 0 | 0 | 109.5 | I126 W154 L174 I184 Y185 I264 V266 | I126-F283 HydrophobicContact CD1-CB 4.43Å; I126-F283 HydrophobicContact CD1-CD1 4.04Å; I126-F283 HydrophobicContact CG1-CB 4.02Å; I126-F283 HydrophobicContact CG1-CD1 4.46Å; I126-F283 VanDerWaalsContact CG1-O 3.23Å; I126-F283 WeakPolarHBondContact CG1-O 3.28Å; I126-F283 PolarHBondContact N-O 2.94Å; I126-F283 PolarHBondContact O-N 2.8Å; W154-F283 HydrophobicContact CD2-CB 4.48Å; W154-F283 HydrophobicContact CH2-CB 4.24Å; W154-F283 HydrophobicContact CZ2-CB 4.01Å; L174-F283 HydrophobicContact CB-CE1 4.32Å; L174-F283 HydrophobicContact CD1-CD1 3.92Å; L174-F283 HydrophobicContact CD1-CE1 3.7Å; L174-F283 HydrophobicContact CD1-CG 4.44Å; L174-F283 HydrophobicContact CD1-CZ 4.07Å; L174-F283 HydrophobicContact CG-CD1 4.22Å; L174-F283 HydrophobicContact CG-CE1 3.92Å; I184-F283 HydrophobicContact CG2-CE2 3.64Å; I184-F283 HydrophobicContact CG2-CZ 4.27Å; Y185-F283 VanDerWaalsContact O-CD2 3.24Å; Y185-F283 WeakPolarHBondContact O-CD2 3.46Å; I264-F283 HydrophobicContact CB-CZ 4.16Å; I264-F283 HydrophobicContact CD1-CE2 4.4Å; I264-F283 HydrophobicContact CD1-CZ 3.78Å; I264-F283 HydrophobicContact CG1-CE1 4.27Å; I264-F283 HydrophobicContact CG1-CZ 3.72Å; V266-F283 HydrophobicContact CG2-CB 4.11Å; V266-F283 HydrophobicContact CG2-CD1 3.89Å; V266-F283 HydrophobicContact CG2-CD2 3.58Å; V266-F283 HydrophobicContact CG2-CE1 4.18Å; V266-F283 HydrophobicContact CG2-CE2 3.89Å; V266-F283 HydrophobicContact CG2-CG 3.6Å; V266-F283 HydrophobicContact CG2-CZ 4.18Å |
| 284 | G | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 166.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A124 Y185 | A124-G284 CarbonylContact O-C 3.44Å; A124-G284 WeakPolarHBondContact O-CA 3.45Å; Y185-G284 WeakPolarHBondContact CD1-O 3.38Å; Y185-G284 PolarHBondContact N-O 3.28Å; Y185-G284 PolarHBondContact O-N 3.2Å; Y185-G284 VanDerWaalsContact O-O 3.14Å |
| 285 | A | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 151.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A123 A124 Y182 Y183 I184 I264 | A123-A285 CarbonylContact C-O 3.45Å; A123-A285 VanDerWaalsContact CA-O 3.28Å; A123-A285 WeakPolarHBondContact CA-O 3.46Å; A124-A285 PolarHBondContact N-O 3.46Å; A124-A285 PolarHBondContact O-N 2.89Å; Y182-A285 HydrophobicContact CD1-CB 4.3Å; Y183-A285 CarbonylContact O-C 3.6Å; Y183-A285 WeakPolarHBondContact O-CA 3.37Å; I184-A285 HydrophobicContact CG1-CB 4.29Å; I264-A285 HydrophobicContact CD1-CB 3.99Å |
| 286 | F | 97.9 | Very high | 93.8 | Very high | 83 Ų | 83 | 45.9 Ų | 45.9 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 148.9 | 169.5 | 62.4 | -92.7 | 0 | 0 | 0 | 111.4 | V122 A123 Y182 Y183 Y185 I288 | V122-F286 WeakPolarHBondContact O-CA 3.49Å; A123-F286 HydrophobicContact CB-CB 3.7Å; Y182-F286 VanDerWaalsContact CA-O 3.31Å; Y182-F286 WeakPolarHBondContact CA-O 3.41Å; Y183-F286 HydrophobicContact CD1-CD1 4.21Å; Y183-F286 AromaticContact CD1-CE1 3.38Å; Y183-F286 HydrophobicContact CD1-CE1 3.38Å; Y183-F286 AromaticContact CD1-CZ 3.76Å; Y183-F286 HydrophobicContact CD1-CZ 3.76Å; Y183-F286 HydrophobicContact CE1-CE1 4.26Å; Y183-F286 AromaticContact CG-CE1 3.94Å; Y183-F286 HydrophobicContact CG-CE1 3.94Å; Y183-F286 AromaticContact CG-CZ 3.87Å; Y183-F286 HydrophobicContact CG-CZ 3.87Å; Y183-F286 PolarHBondContact N-O 3.35Å; Y183-F286 PolarHBondContact O-N 3.34Å; Y185-F286 HydrophobicContact CE1-CD1 4.33Å; F286-I288 HydrophobicContact CD2-CG1 4.19Å; F286-I288 HydrophobicContact CE2-CD1 4.41Å; F286-I288 HydrophobicContact CE2-CG1 3.81Å |
| 287 | L | 96.8 | Very high | 93.8 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.8 | 178.5 | -175.9 | 68.7 | 0 | 0 | 0 | 110.3 | V122 Y182 | V122-L287 HydrophobicContact CB-CB 3.7Å; V122-L287 HydrophobicContact CB-CD2 4.05Å; V122-L287 HydrophobicContact CG1-CB 4.07Å; V122-L287 HydrophobicContact CG2-CB 4.46Å; V122-L287 HydrophobicContact CG2-CD2 3.88Å; V122-L287 PolarHBondContact O-N 3.44Å; Y182-L287 HydrophobicContact CD1-CB 4.44Å; Y182-L287 HydrophobicContact CD2-CD1 4.15Å; Y182-L287 HydrophobicContact CE1-CB 4.04Å; Y182-L287 HydrophobicContact CE1-CD1 4.38Å; Y182-L287 HydrophobicContact CE2-CD1 3.69Å |
| 288 | I | 92.8 | Very high | 93.9 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 48% | 0.477 | 26% | 0.26 | S | S | . | . | trans | -99.5 | -36.1 | 175.6 | -66.4 | 169.3 | 0 | 0 | 0 | 111.2 | F181 I255 F286 | F181-I288 PolarHBondContact O-N 3.48Å; I255-I288 HydrophobicContact CD1-CD1 3.64Å; I255-I288 HydrophobicContact CG1-CD1 3.72Å; I255-I288 HydrophobicContact CG2-CD1 4.21Å; F286-I288 HydrophobicContact CD2-CG1 4.19Å; F286-I288 HydrophobicContact CE2-CD1 4.41Å; F286-I288 HydrophobicContact CE2-CG1 3.81Å | ||
| 289 | G | 71.3 | Confident | 94.1 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 87% | 0.866 | 26% | 0.259 | S | S | * | . | trans | -171.7 | 0 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G180 F181 | G180-G289 WeakPolarHBondContact CA-O 3.44Å; F181-G289 PolarHBondContact N-O 2.89Å |
Retrieved 289 of 289 residues in 168.2 ms
(Link to these results)