| 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 | 46.9 | Very low | 60.5 | Low | 234 Ų | 234 | 143.6 Ų | 143.6 | 100% | 1.153 | 71% | 0.706 | S | S | * | * | 0 | 26.6 | 0 | -102.8 | 172.9 | 72.8 | 0 | 0 | 113.4 | |||||
| 2 | F | 50.7 | Low | 61 | Low | 204 Ų | 204 | 147 Ų | 147 | 90% | 0.895 | 71% | 0.705 | S | S | * | * | trans | -123.2 | 15.4 | -171.3 | -82.4 | -76.2 | 0 | 0 | 0 | 115.1 | ||||
| 3 | Q | 53.6 | Low | 61.4 | Low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -114.3 | 0.8 | -169.7 | -148.1 | 160 | -8.3 | 0 | 0 | 114.9 | ||
| 4 | F | 52.2 | Low | 61.7 | Low | 186 Ų | 186 | 141.4 Ų | 141.4 | 82% | 0.816 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -97.8 | -15.7 | -179 | -85.1 | -81.2 | 0 | 0 | 0 | 115 | ||
| 5 | D | 57.8 | Low | 61.4 | Low | 123 Ų | 123 | 136.1 Ų | 136.1 | 66% | 0.658 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -78.5 | -27.1 | -175 | -77.2 | -29.3 | 0 | 0 | 0 | 114.3 | W7 A9 | D5-W7 PolarHBondContact O-N 3.43Å; D5-A9 PolarHBondContact O-N 3.14Å |
| 6 | H | 60.6 | Low | 61 | Low | 158 Ų | 158 | 132.9 Ų | 132.9 | 73% | 0.731 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.6 | -30 | -178.9 | -81.7 | 14.6 | 0 | 0 | 0 | 113.5 | L10 | H6-L10 PolarHBondContact O-N 3.48Å |
| 7 | W | 61.1 | Low | 60.6 | Low | 206 Ų | 206 | 129.6 Ų | 129.6 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74 | -38.4 | 179.2 | -125.4 | 55.9 | 0 | 0 | 0 | 112.1 | D5 A9 L10 V11 | D5-W7 PolarHBondContact O-N 3.43Å; W7-A9 PolarHBondContact O-N 3.14Å; W7-L10 PolarHBondContact O-N 3.24Å; W7-V11 WeakPolarHBondContact O-CG2 3.26Å; W7-V11 PolarHBondContact O-N 3.36Å |
| 8 | A | 67.6 | Low | 60 | Low | 55 Ų | 55 | 128 Ų | 128 | 46% | 0.455 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V11 W12 | A8-V11 PolarHBondContact O-N 3.12Å; A8-W12 WeakPolarHBondContact O-CB 3.42Å; A8-W12 PolarHBondContact O-N 2.89Å |
| 9 | A | 68.1 | Low | 59.2 | Low | 50 Ų | 50 | 128.6 Ų | 128.6 | 41% | 0.413 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.5 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D5 W7 W12 L13 | D5-A9 PolarHBondContact O-N 3.14Å; W7-A9 PolarHBondContact O-N 3.14Å; A9-W12 PolarHBondContact O-N 2.9Å; A9-L13 PolarHBondContact O-N 3.38Å |
| 10 | L | 71.6 | Confident | 58.1 | Low | 106 Ų | 106 | 129.7 Ų | 129.7 | 56% | 0.555 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.5 | -41.1 | 176.7 | -106 | 143.3 | 0 | 0 | 0 | 112.3 | H6 W7 W12 L13 L14 | H6-L10 PolarHBondContact O-N 3.48Å; W7-L10 PolarHBondContact O-N 3.24Å; L10-W12 VanDerWaalsContact C-N 3.32Å; L10-L13 PolarHBondContact O-N 3.02Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3.35Å |
| 11 | V | 75.3 | Confident | 57.1 | Low | 77 Ų | 77 | 132.5 Ų | 132.5 | 47% | 0.467 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66 | -36.6 | 173.9 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | W7 A8 L14 C15 | W7-V11 WeakPolarHBondContact O-CG2 3.26Å; W7-V11 PolarHBondContact O-N 3.36Å; A8-V11 PolarHBondContact O-N 3.12Å; V11-L14 PolarHBondContact O-N 3.23Å; V11-C15 VanDerWaalsContact O-CB 3.28Å; V11-C15 WeakPolarHBondContact O-CB 2.8Å; V11-C15 PolarHBondContact O-N 3.06Å |
| 12 | W | 66.7 | Low | 56.6 | Low | 184 Ų | 184 | 129.4 Ų | 129.4 | 70% | 0.697 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.2 | -41 | 174.1 | -108 | 77 | 0 | 0 | 0 | 112.9 | A8 A9 L10 C15 L16 | A8-W12 WeakPolarHBondContact O-CB 3.42Å; A8-W12 PolarHBondContact O-N 2.89Å; A9-W12 PolarHBondContact O-N 2.9Å; L10-W12 VanDerWaalsContact C-N 3.32Å; W12-C15 PolarHBondContact O-N 3.22Å; W12-L16 HydrophobicContact CE3-CD1 3.85Å; W12-L16 HydrophobicContact CE3-CG 4.32Å; W12-L16 HydrophobicContact CZ3-CD1 4.36Å; W12-L16 VanDerWaalsContact O-CB 3.27Å; W12-L16 WeakPolarHBondContact O-CB 3.5Å; W12-L16 WeakPolarHBondContact O-CG 3.37Å; W12-L16 PolarHBondContact O-N 3.34Å |
| 13 | L | 66.1 | Low | 56.1 | Low | 114 Ų | 114 | 123.5 Ų | 123.5 | 60% | 0.597 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.1 | -38.3 | 173.3 | -97.4 | 130.9 | 0 | 0 | 0 | 111.8 | A9 L10 L16 T17 | A9-L13 PolarHBondContact O-N 3.38Å; L10-L13 PolarHBondContact O-N 3.02Å; L13-L16 PolarHBondContact O-N 3.49Å; L13-T17 WeakPolarHBondContact O-CB 3.49Å; L13-T17 WeakPolarHBondContact O-CG2 3.32Å; L13-T17 PolarHBondContact O-N 2.93Å; L13-T17 PolarHBondContact O-OG1 3.46Å |
| 14 | L | 65.2 | Low | 55.6 | Low | 101 Ų | 101 | 118.2 Ų | 118.2 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.9 | -40.3 | 172.8 | -117.4 | 104.5 | 0 | 0 | 0 | 111.7 | L10 V11 T17 L18 | L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3.35Å; V11-L14 PolarHBondContact O-N 3.23Å; L14-T17 VanDerWaalsContact CA-OG1 3.28Å; L14-T17 WeakPolarHBondContact CA-OG1 3.33Å; L14-T17 PolarHBondContact O-N 3.38Å; L14-T17 PolarHBondContact O-OG1 3.04Å; L14-L18 HydrophobicContact CD2-CD1 4.37Å; L14-L18 WeakPolarHBondContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CD1 3.24Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 2.81Å |
| 15 | C | 57.7 | Low | 55.7 | Low | 63 Ų | 63 | 111.1 Ų | 111.1 | 43% | 0.426 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -41.4 | 173.4 | -96.1 | 0 | 0 | 0 | 0 | 111.2 | V11 W12 L18 L19 | V11-C15 VanDerWaalsContact O-CB 3.28Å; V11-C15 WeakPolarHBondContact O-CB 2.8Å; V11-C15 PolarHBondContact O-N 3.06Å; W12-C15 PolarHBondContact O-N 3.22Å; C15-L18 CarbonylContact O-C 3.48Å; C15-L18 PolarHBondContact O-N 2.91Å; C15-L19 WeakPolarHBondContact O-CB 3.27Å; C15-L19 WeakPolarHBondContact O-CD1 3.39Å; C15-L19 PolarHBondContact O-N 3.4Å |
| 16 | L | 54.3 | Low | 56.5 | Low | 84 Ų | 84 | 109.3 Ų | 109.3 | 44% | 0.44 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.3 | -37 | 176.7 | -82.4 | 162.1 | 0 | 0 | 0 | 111.7 | W12 L13 L19 Q20 | W12-L16 HydrophobicContact CE3-CD1 3.85Å; W12-L16 HydrophobicContact CE3-CG 4.32Å; W12-L16 HydrophobicContact CZ3-CD1 4.36Å; W12-L16 VanDerWaalsContact O-CB 3.27Å; W12-L16 WeakPolarHBondContact O-CB 3.5Å; W12-L16 WeakPolarHBondContact O-CG 3.37Å; W12-L16 PolarHBondContact O-N 3.34Å; L13-L16 PolarHBondContact O-N 3.49Å; L16-L19 CarbonylContact O-C 3.59Å; L16-L19 PolarHBondContact O-N 3.5Å; L16-Q20 WeakPolarHBondContact O-CA 3.19Å; L16-Q20 WeakPolarHBondContact O-CB 3.2Å; L16-Q20 VanDerWaalsContact O-CG 3.31Å; L16-Q20 WeakPolarHBondContact O-CG 3.01Å; L16-Q20 PolarHBondContact O-N 2.87Å |
| 17 | T | 54.7 | Low | 57.8 | Low | 78 Ų | 78 | 101.9 Ų | 101.9 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.1 | -32.1 | 173.9 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | L13 L14 Q20 R21 | L13-T17 WeakPolarHBondContact O-CB 3.49Å; L13-T17 WeakPolarHBondContact O-CG2 3.32Å; L13-T17 PolarHBondContact O-N 2.93Å; L13-T17 PolarHBondContact O-OG1 3.46Å; L14-T17 VanDerWaalsContact CA-OG1 3.28Å; L14-T17 WeakPolarHBondContact CA-OG1 3.33Å; L14-T17 PolarHBondContact O-N 3.38Å; L14-T17 PolarHBondContact O-OG1 3.04Å; T17-Q20 CarbonylContact O-C 3.45Å; T17-R21 PolarHBondContact O-N 3.26Å |
| 18 | L | 49.4 | Very low | 59.2 | Low | 100 Ų | 100 | 92.1 Ų | 92.1 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.5 | -27.8 | 170.5 | -76.7 | 162.9 | 0 | 0 | 0 | 112.8 | L14 C15 R21 | L14-L18 HydrophobicContact CD2-CD1 4.37Å; L14-L18 WeakPolarHBondContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CD1 3.24Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 2.81Å; C15-L18 CarbonylContact O-C 3.48Å; C15-L18 PolarHBondContact O-N 2.91Å; L18-R21 WeakPolarHBondContact O-CB 3.32Å; L18-R21 PolarHBondContact O-N 3.02Å |
| 19 | L | 44.4 | Very low | 60.3 | Low | 139 Ų | 139 | 90.9 Ų | 90.9 | 73% | 0.728 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -82.6 | -27.7 | 171.2 | -90.6 | 141.9 | 0 | 0 | 0 | 112 | C15 L16 | C15-L19 WeakPolarHBondContact O-CB 3.27Å; C15-L19 WeakPolarHBondContact O-CD1 3.39Å; C15-L19 PolarHBondContact O-N 3.4Å; L16-L19 CarbonylContact O-C 3.59Å; L16-L19 PolarHBondContact O-N 3.5Å |
| 20 | Q | 38.7 | Very low | 61.3 | Low | 151 Ų | 151 | 88.5 Ų | 88.5 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -83.6 | 9.2 | 165.4 | -77 | -164.4 | -49.8 | 0 | 0 | 112.5 | L16 T17 E22 | L16-Q20 WeakPolarHBondContact O-CA 3.19Å; L16-Q20 WeakPolarHBondContact O-CB 3.2Å; L16-Q20 VanDerWaalsContact O-CG 3.31Å; L16-Q20 WeakPolarHBondContact O-CG 3.01Å; L16-Q20 PolarHBondContact O-N 2.87Å; T17-Q20 CarbonylContact O-C 3.45Å; Q20-E22 PolarHBondContact O-N 2.91Å |
| 21 | R | 35.8 | Very low | 62.1 | Low | 189 Ų | 189 | 88.8 Ų | 88.8 | 71% | 0.713 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -59 | 93.5 | 154.6 | -160.6 | 173.8 | -163.1 | 165.3 | 4.6 | 104.4 | T17 L18 A23 | T17-R21 PolarHBondContact O-N 3.26Å; L18-R21 WeakPolarHBondContact O-CB 3.32Å; L18-R21 PolarHBondContact O-N 3.02Å; R21-A23 PolarHBondContact O-N 2.98Å |
| 22 | E | 37.5 | Very low | 62.7 | Low | 168 Ų | 168 | 91.4 Ų | 91.4 | 79% | 0.785 | 47% | 0.467 | S | S | * | . | trans | -32.5 | 114.7 | 176.8 | -76.8 | 178.7 | 133.6 | 0 | 0 | 105 | Q20 A24 | Q20-E22 PolarHBondContact O-N 2.91Å; E22-A24 WeakPolarHBondContact O-CA 3.47Å; E22-A24 WeakPolarHBondContact O-CB 3.48Å; E22-A24 PolarHBondContact O-N 3.19Å | ||
| 23 | A | 39.7 | Very low | 63.6 | Low | 80 Ų | 80 | 84.2 Ų | 84.2 | 66% | 0.661 | 44% | 0.44 | S | S | * | . | trans | -49.2 | 97.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | R21 S25 | R21-A23 PolarHBondContact O-N 2.98Å; A23-S25 PolarHBondContact O-N 2.99Å | ||
| 24 | A | 43.1 | Very low | 64.5 | Low | 71 Ų | 71 | 81.5 Ų | 81.5 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | trans | -72.1 | 106.3 | -153.8 | 0 | 0 | 0 | 0 | 0 | 103.8 | E22 Q26 | E22-A24 WeakPolarHBondContact O-CA 3.47Å; E22-A24 WeakPolarHBondContact O-CB 3.48Å; E22-A24 PolarHBondContact O-N 3.19Å; A24-Q26 PolarHBondContact O-N 2.81Å | ||
| 25 | S | 55.3 | Low | 65.5 | Low | 36 Ų | 36 | 77.3 Ų | 77.3 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | trans | -56 | 114.2 | -168.4 | 61.9 | 0 | 0 | 0 | 0 | 107.6 | A23 C27 H78 K240 | A23-S25 PolarHBondContact O-N 2.99Å; S25-C27 PolarHBondContact O-N 3.2Å; S25-C27 VanDerWaalsContact O-N 3.13Å; S25-H78 WeakPolarHBondContact CA-NE2 3.08Å; S25-H78 WeakPolarHBondContact CB-NE2 3.22Å; S25-K240 PolarHBondContact O-NZ 3.16Å | ||
| 26 | Q | 74.1 | Confident | 66.9 | Low | 85 Ų | 85 | 78.8 Ų | 78.8 | 40% | 0.397 | 42% | 0.422 | S | S | . | . | trans | -73 | -2.4 | -171.5 | -68.1 | 179.9 | -5.7 | 0 | 0 | 112.1 | A24 K32 F33 | A24-Q26 PolarHBondContact O-N 2.81Å; Q26-K32 HydrophobicContact CB-CB 4.47Å; Q26-F33 HydrophobicContact CB-CE2 4.2Å; Q26-F33 HydrophobicContact CB-CZ 3.81Å; Q26-F33 VanDerWaalsContact O-CE2 3.22Å; Q26-F33 WeakPolarHBondContact O-CE2 3.12Å | ||
| 27 | C | 88.4 | Confident | 68.5 | Low | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.014 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 157.3 | 174.2 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | S25 D29 P70 P163 C165 | S25-C27 PolarHBondContact O-N 3.2Å; S25-C27 VanDerWaalsContact O-N 3.13Å; C27-D29 PolarHBondContact O-N 3.44Å; C27-D29 VanDerWaalsContact O-N 3.08Å; C27-P70 HydrophobicContact CB-CG 3.61Å; C27-P163 WeakPolarHBondContact CA-O 3.41Å; C27-P163 HydrophobicContact CB-CG 4.38Å; C27-C165 HydrophobicContact CB-CB 4.08Å; C27-C165 WeakPolarHBondContact CB-SG 3.3Å; C27-C165 PolarHBondContact O-SG 3.34Å; C27-C165 WeakPolarHBondContact SG-CA 3.46Å; C27-C165 WeakPolarHBondContact SG-CB 3.28Å; C27-C165 CovalentContact SG-SG 2.05Å; C27-C165 PolarHBondContact SG-SG 2.83Å |
| 28 | G | 89.7 | Confident | 70.1 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 7.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P163 K240 A241 | G28-P163 PolarHBondContact N-O 2.78Å; G28-K240 WeakPolarHBondContact O-CA 3.27Å; G28-A241 WeakPolarHBondContact CA-O 3.45Å; G28-A241 PolarHBondContact O-N 3.15Å |
| 29 | D | 90.7 | Very high | 71.6 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | trans | -132.4 | 87.8 | 179.5 | -177.8 | -1.5 | 0 | 0 | 0 | 108.8 | C27 E31 K32 | C27-D29 PolarHBondContact O-N 3.44Å; C27-D29 VanDerWaalsContact O-N 3.08Å; D29-E31 PolarHBondContact O-N 2.72Å; D29-E31 PolarHBondContact OD1-N 2.86Å; D29-K32 HydrophobicContact CB-CG 4.09Å; D29-K32 WeakPolarHBondContact O-CB 3.28Å; D29-K32 PolarHBondContact O-N 3.41Å; D29-K32 VanDerWaalsContact OD2-CE 3.27Å; D29-K32 WeakPolarHBondContact OD2-CE 3.19Å; D29-K32 WeakPolarHBondContact OD2-CG 3.07Å | ||
| 30 | P | 89.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -60.2 | -27.4 | -175.9 | -26.2 | 36.1 | 0 | 0 | 0 | 114.4 | K32 F33 G34 G35 L38 Y41 P50 W51 | P30-K32 PolarHBondContact O-N 3.24Å; P30-F33 PolarHBondContact O-N 2.81Å; P30-G34 PolarHBondContact O-N 2.91Å; P30-G35 WeakPolarHBondContact O-CA 3.21Å; P30-G35 PolarHBondContact O-N 2.72Å; P30-L38 HydrophobicContact CG-CD2 3.98Å; P30-Y41 HydrophobicContact CB-CE2 4.04Å; P30-Y41 HydrophobicContact CG-CE2 3.89Å; P30-P50 HydrophobicContact CB-CG 3.91Å; P30-P50 HydrophobicContact CG-CG 3.65Å; P30-W51 HydrophobicContact CG-CH2 4.29Å; P30-W51 HydrophobicContact CG-CZ3 3.81Å |
| 31 | E | 88.3 | Confident | 75.5 | Confident | 112 Ų | 112 | 64.3 Ų | 64.3 | 52% | 0.523 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -59.6 | -30.6 | 179.3 | -64.5 | -179.5 | -131.6 | 0 | 0 | 111.4 | D29 F33 G34 P37 | D29-E31 PolarHBondContact O-N 2.72Å; D29-E31 PolarHBondContact OD1-N 2.86Å; E31-F33 PolarHBondContact O-N 2.82Å; E31-F33 VanDerWaalsContact O-N 3.13Å; E31-G34 PolarHBondContact O-N 2.76Å; E31-P37 HydrophobicContact CG-CB 4.44Å; E31-P37 VanDerWaalsContact OE1-CA 3.22Å; E31-P37 WeakPolarHBondContact OE1-CA 3.39Å; E31-P37 WeakPolarHBondContact OE1-CB 3.39Å |
| 32 | K | 86.6 | Confident | 77.2 | Confident | 133 Ų | 133 | 56.6 Ų | 56.6 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -62.6 | -18.9 | 174.8 | -61.8 | -57.6 | 179 | -163.1 | 0 | 114.1 | Q26 D29 P30 | Q26-K32 HydrophobicContact CB-CB 4.47Å; D29-K32 HydrophobicContact CB-CG 4.09Å; D29-K32 WeakPolarHBondContact O-CB 3.28Å; D29-K32 PolarHBondContact O-N 3.41Å; D29-K32 VanDerWaalsContact OD2-CE 3.27Å; D29-K32 WeakPolarHBondContact OD2-CE 3.19Å; D29-K32 WeakPolarHBondContact OD2-CG 3.07Å; P30-K32 PolarHBondContact O-N 3.24Å |
| 33 | F | 86.5 | Confident | 78.5 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -110.2 | 10.8 | 178.2 | -56.3 | -82 | 0 | 0 | 0 | 112.6 | Q26 P30 E31 L157 N158 A159 S162 | Q26-F33 HydrophobicContact CB-CE2 4.2Å; Q26-F33 HydrophobicContact CB-CZ 3.81Å; Q26-F33 VanDerWaalsContact O-CE2 3.22Å; Q26-F33 WeakPolarHBondContact O-CE2 3.12Å; P30-F33 PolarHBondContact O-N 2.81Å; E31-F33 PolarHBondContact O-N 2.82Å; E31-F33 VanDerWaalsContact O-N 3.13Å; F33-L157 HydrophobicContact CD1-CB 3.72Å; F33-L157 HydrophobicContact CD1-CD1 4.4Å; F33-L157 HydrophobicContact CE1-CB 3.83Å; F33-L157 HydrophobicContact CE1-CD1 3.65Å; F33-L157 HydrophobicContact CE1-CG 4.4Å; F33-L157 HydrophobicContact CZ-CD1 3.96Å; F33-N158 WeakPolarHBondContact CB-O 3.42Å; F33-N158 CarbonylContact O-C 3.56Å; F33-A159 WeakPolarHBondContact O-CA 3.06Å; F33-A159 PolarHBondContact O-N 3.29Å; F33-S162 VanDerWaalsContact CD2-CB 3.41Å |
| 34 | G | 84.1 | Confident | 79.5 | Confident | 58 Ų | 58 | 53 Ų | 53 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 13 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P30 E31 A159 | P30-G34 PolarHBondContact O-N 2.91Å; E31-G34 PolarHBondContact O-N 2.76Å; G34-A159 WeakPolarHBondContact O-CB 3.47Å |
| 35 | G | 86.3 | Confident | 80.4 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | trans | -79.1 | -179.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P30 A159 | P30-G35 WeakPolarHBondContact O-CA 3.21Å; P30-G35 PolarHBondContact O-N 2.72Å; G35-A159 WeakPolarHBondContact CA-O 3.25Å | ||
| 36 | Q | 88.6 | Confident | 80.8 | Confident | 94 Ų | 94 | 53.1 Ų | 53.1 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | trans | -78.4 | 163.4 | 176.2 | -68.7 | -58.9 | -38.4 | 0 | 0 | 112 | A40 Y41 E47 | Q36-A40 HydrophobicContact CB-CB 3.74Å; Q36-A40 HydrophobicContact CG-CB 4.4Å; Q36-Y41 HydrophobicContact CB-CE2 4.05Å; Q36-Y41 PolarHBondContact N-OH 2.87Å; Q36-Y41 VanDerWaalsContact N-OH 3.16Å; Q36-Y41 VanDerWaalsContact O-CE2 3.31Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.5Å; Q36-E47 WeakPolarHBondContact CB-OE2 3.2Å; Q36-E47 WeakPolarHBondContact CG-OE1 3.38Å; Q36-E47 VanDerWaalsContact CG-OE2 3.24Å; Q36-E47 WeakPolarHBondContact CG-OE2 3.49Å | ||
| 37 | P | 87.9 | Confident | 80.8 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | trans | -59.2 | 148.9 | 168.9 | 23.3 | -34.6 | 0 | 0 | 0 | 112.3 | E31 Q39 A40 | E31-P37 HydrophobicContact CG-CB 4.44Å; E31-P37 VanDerWaalsContact OE1-CA 3.22Å; E31-P37 WeakPolarHBondContact OE1-CA 3.39Å; E31-P37 WeakPolarHBondContact OE1-CB 3.39Å; P37-Q39 PolarHBondContact O-N 3.4Å; P37-A40 HydrophobicContact CG-CB 4.47Å; P37-A40 VanDerWaalsContact O-CB 3.27Å; P37-A40 WeakPolarHBondContact O-CB 3.49Å; P37-A40 PolarHBondContact O-N 3.39Å | ||
| 38 | L | 86.7 | Confident | 80.6 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -50.5 | -32.5 | -179.3 | -73.2 | 179.7 | 0 | 0 | 0 | 114.2 | P30 A40 Y41 S42 W51 F236 G239 A241 | P30-L38 HydrophobicContact CG-CD2 3.98Å; L38-A40 VanDerWaalsContact C-N 3.27Å; L38-A40 PolarHBondContact O-N 3.21Å; L38-Y41 PolarHBondContact O-N 2.94Å; L38-S42 PolarHBondContact O-OG 2.93Å; L38-W51 HydrophobicContact CD2-CH2 3.62Å; L38-W51 HydrophobicContact CD2-CZ3 4.31Å; L38-F236 HydrophobicContact CB-CD2 4.34Å; L38-F236 HydrophobicContact CB-CE2 3.98Å; L38-F236 HydrophobicContact CB-CZ 4.23Å; L38-F236 HydrophobicContact CD1-CD1 4.37Å; L38-F236 HydrophobicContact CD1-CG 4.44Å; L38-F236 HydrophobicContact CD2-CE1 4.18Å; L38-F236 HydrophobicContact CD2-CZ 4.21Å; L38-G239 VanDerWaalsContact CD1-O 3.22Å; L38-G239 WeakPolarHBondContact CD1-O 3.27Å; L38-A241 HydrophobicContact CD1-CB 4.35Å; L38-A241 HydrophobicContact CD2-CB 3.96Å |
| 39 | Q | 81.4 | Confident | 80.7 | Confident | 131 Ų | 131 | 53 Ų | 53 | 61% | 0.612 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.7 | -29.5 | -179.4 | -159.7 | 62.2 | 36.8 | 0 | 0 | 112.4 | P37 Y41 S42 | P37-Q39 PolarHBondContact O-N 3.4Å; Q39-Y41 VanDerWaalsContact C-N 3.31Å; Q39-Y41 PolarHBondContact O-N 2.85Å; Q39-S42 PolarHBondContact O-N 2.97Å |
| 40 | A | 83.2 | Confident | 80.7 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -35.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q36 P37 L38 S42 | Q36-A40 HydrophobicContact CB-CB 3.74Å; Q36-A40 HydrophobicContact CG-CB 4.4Å; P37-A40 HydrophobicContact CG-CB 4.47Å; P37-A40 VanDerWaalsContact O-CB 3.27Å; P37-A40 WeakPolarHBondContact O-CB 3.49Å; P37-A40 PolarHBondContact O-N 3.39Å; L38-A40 VanDerWaalsContact C-N 3.27Å; L38-A40 PolarHBondContact O-N 3.21Å; A40-S42 PolarHBondContact O-N 2.84Å |
| 41 | Y | 82.1 | Confident | 81 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -77.7 | -17.1 | 179.6 | -56.9 | -77.7 | 0 | 0 | 0 | 114.1 | P30 Q36 L38 Q39 G43 E47 V48 | P30-Y41 HydrophobicContact CB-CE2 4.04Å; P30-Y41 HydrophobicContact CG-CE2 3.89Å; Q36-Y41 HydrophobicContact CB-CE2 4.05Å; Q36-Y41 PolarHBondContact N-OH 2.87Å; Q36-Y41 VanDerWaalsContact N-OH 3.16Å; Q36-Y41 VanDerWaalsContact O-CE2 3.31Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.5Å; L38-Y41 PolarHBondContact O-N 2.94Å; Q39-Y41 VanDerWaalsContact C-N 3.31Å; Q39-Y41 PolarHBondContact O-N 2.85Å; Y41-G43 VanDerWaalsContact C-N 3.26Å; Y41-G43 PolarHBondContact O-N 3.36Å; Y41-E47 HydrophobicContact CD1-CB 3.73Å; Y41-E47 HydrophobicContact CE1-CB 3.84Å; Y41-E47 WeakPolarHBondContact CE1-OE2 3.42Å; Y41-V48 VanDerWaalsContact CD1-O 3.25Å; Y41-V48 WeakPolarHBondContact CD1-O 3.34Å; Y41-V48 VanDerWaalsContact CE1-O 3.25Å; Y41-V48 WeakPolarHBondContact CE1-O 3.3Å |
| 42 | S | 71.2 | Confident | 81.2 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -11.4 | -177.1 | -58.6 | 0 | 0 | 0 | 0 | 114.1 | L38 Q39 A40 F236 | L38-S42 PolarHBondContact O-OG 2.93Å; Q39-S42 PolarHBondContact O-N 2.97Å; A40-S42 PolarHBondContact O-N 2.84Å; S42-F236 VanDerWaalsContact OG-CE2 3.22Å; S42-F236 WeakPolarHBondContact OG-CE2 3.35Å |
| 43 | G | 65.1 | Low | 81.6 | Confident | 36 Ų | 36 | 40.2 Ų | 40.2 | 37% | 0.371 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -100.6 | -179.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y41 G45 R114 | Y41-G43 VanDerWaalsContact C-N 3.26Å; Y41-G43 PolarHBondContact O-N 3.36Å; G43-G45 PolarHBondContact O-N 2.76Å; G43-G45 VanDerWaalsContact O-N 3.1Å; G43-R114 PolarHBondContact O-NH1 2.93Å; G43-R114 PolarHBondContact O-NH2 2.8Å |
| 44 | N | 61 | Low | 81.8 | Confident | 136 Ų | 136 | 38.7 Ų | 38.7 | 73% | 0.727 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -75.4 | 15.5 | 172.2 | -159.9 | 9.1 | 0 | 0 | 0 | 113.1 | R188 | N44-R188 PolarHBondContact OD1-NH2 3.33Š|
| 45 | G | 61.2 | Low | 82.3 | Confident | 39 Ų | 39 | 36 Ų | 36 | 40% | 0.402 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -66.1 | -177.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G43 E47 R114 | G43-G45 PolarHBondContact O-N 2.76Å; G43-G45 VanDerWaalsContact O-N 3.1Å; G45-E47 VanDerWaalsContact C-N 3.27Å; G45-E47 PolarHBondContact O-N 3.01Å; G45-R114 WeakPolarHBondContact O-CD 3.22Å; G45-R114 PolarHBondContact O-NE 2.84Å; G45-R114 PolarHBondContact O-NH1 3.05Å |
| 46 | S | 63.3 | Low | 82.5 | Confident | 72 Ų | 72 | 36.4 Ų | 36.4 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -81.3 | -4.9 | -178.8 | -157 | 0 | 0 | 0 | 0 | 113.9 | R114 | S46-R114 WeakPolarHBondContact O-CG 3.44Š|
| 47 | E | 74.8 | Confident | 82.5 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -91.9 | 134.7 | -169.3 | -61.5 | -169.9 | 168.8 | 0 | 0 | 112.8 | Q36 Y41 G45 R114 | Q36-E47 WeakPolarHBondContact CB-OE2 3.2Å; Q36-E47 WeakPolarHBondContact CG-OE1 3.38Å; Q36-E47 VanDerWaalsContact CG-OE2 3.24Å; Q36-E47 WeakPolarHBondContact CG-OE2 3.49Å; Y41-E47 HydrophobicContact CD1-CB 3.73Å; Y41-E47 HydrophobicContact CE1-CB 3.84Å; Y41-E47 WeakPolarHBondContact CE1-OE2 3.42Å; G45-E47 VanDerWaalsContact C-N 3.27Å; G45-E47 PolarHBondContact O-N 3.01Å; E47-R114 VanDerWaalsContact O-CZ 3.23Å; E47-R114 PolarHBondContact O-NE 2.86Å; E47-R114 PolarHBondContact O-NH2 3.15Å |
| 48 | V | 84.4 | Confident | 82.3 | Confident | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -94.8 | 145.7 | 173.6 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | Y41 T52 L112 R114 L189 | Y41-V48 VanDerWaalsContact CD1-O 3.25Å; Y41-V48 WeakPolarHBondContact CD1-O 3.34Å; Y41-V48 VanDerWaalsContact CE1-O 3.25Å; Y41-V48 WeakPolarHBondContact CE1-O 3.3Å; V48-T52 HydrophobicContact CG1-CG2 4.45Å; V48-L112 WeakPolarHBondContact CB-O 3.37Å; V48-L112 WeakPolarHBondContact CG2-O 3.44Å; V48-R114 HydrophobicContact CG2-CB 4.24Å; V48-R114 HydrophobicContact CG2-CG 3.42Å; V48-R114 VanDerWaalsContact CG2-CG 3.42Å; V48-L189 HydrophobicContact CB-CD2 4.28Å; V48-L189 HydrophobicContact CG1-CD2 3.31Å; V48-L189 HydrophobicContact CG1-CG 4.34Å; V48-L189 HydrophobicContact CG2-CB 4.46Å; V48-L189 HydrophobicContact CG2-CD2 3.91Å |
| 49 | M | 91.1 | Very high | 82.2 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 129.2 | 172.8 | -72.4 | -173.7 | -175.9 | 0 | 0 | 110.8 | W51 T52 F180 E191 F236 | M49-W51 HydrophobicContact CB-CD2 4.41Å; M49-W51 HydrophobicContact CB-CZ2 4.02Å; M49-W51 HydrophobicContact CG-CZ2 3.96Å; M49-W51 PolarHBondContact O-N 3.44Å; M49-W51 VanDerWaalsContact O-N 3.1Å; M49-W51 HydrophobicContact SD-CZ2 3.64Å; M49-W51 PolarHBondContact SD-NE1 3.39Å; M49-W51 VanDerWaalsContact SD-NE1 3.36Å; M49-T52 WeakPolarHBondContact O-CB 3.42Å; M49-T52 PolarHBondContact O-N 2.71Å; M49-F180 HydrophobicContact CE-CB 3.72Å; M49-F180 HydrophobicContact CE-CD2 4.35Å; M49-F180 HydrophobicContact CE-CG 4.02Å; M49-E191 WeakPolarHBondContact CB-OE1 3.17Å; M49-E191 HydrophobicContact CE-CB 4.16Å; M49-E191 HydrophobicContact CE-CG 4.13Å; M49-E191 HydrophobicContact CG-CG 3.92Å; M49-E191 WeakPolarHBondContact CG-OE1 3.42Å; M49-E191 PolarHBondContact N-OE1 2.99Å; M49-E191 HydrophobicContact SD-CG 4.43Å; M49-F236 HydrophobicContact CE-CE1 4.42Å; M49-F236 HydrophobicContact CE-CZ 4.09Å |
| 50 | P | 92 | Very high | 82.2 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.5 | -166.7 | 25.7 | -35.1 | 0 | 0 | 0 | 114.2 | P30 D160 V161 S162 | P30-P50 HydrophobicContact CB-CG 3.91Å; P30-P50 HydrophobicContact CG-CG 3.65Å; P50-D160 WeakPolarHBondContact CA-O 3.47Å; P50-V161 WeakPolarHBondContact O-CA 3.22Å; P50-S162 CarbonylContact C-O 3.5Å; P50-S162 WeakPolarHBondContact CB-OG 3.48Å; P50-S162 WeakPolarHBondContact CG-OG 3.37Å; P50-S162 PolarHBondContact O-N 3.02Å |
| 51 | W | 94.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -15.4 | 171.7 | 42.1 | 76.5 | 0 | 0 | 0 | 113.5 | P30 L38 M49 V53 S67 I68 S162 V164 V234 F236 A241 | P30-W51 HydrophobicContact CG-CH2 4.29Å; P30-W51 HydrophobicContact CG-CZ3 3.81Å; L38-W51 HydrophobicContact CD2-CH2 3.62Å; L38-W51 HydrophobicContact CD2-CZ3 4.31Å; M49-W51 HydrophobicContact CB-CD2 4.41Å; M49-W51 HydrophobicContact CB-CZ2 4.02Å; M49-W51 HydrophobicContact CG-CZ2 3.96Å; M49-W51 PolarHBondContact O-N 3.44Å; M49-W51 VanDerWaalsContact O-N 3.1Å; M49-W51 HydrophobicContact SD-CZ2 3.64Å; M49-W51 PolarHBondContact SD-NE1 3.39Å; M49-W51 VanDerWaalsContact SD-NE1 3.36Å; W51-V53 PolarHBondContact O-N 2.8Å; W51-S67 CarbonylContact O-C 3.48Å; W51-S67 VanDerWaalsContact O-CA 3.27Å; W51-S67 WeakPolarHBondContact O-CA 3.36Å; W51-I68 HydrophobicContact CB-CB 4.43Å; W51-I68 PolarHBondContact O-N 2.85Å; W51-S162 WeakPolarHBondContact CA-O 3.48Å; W51-S162 VanDerWaalsContact CB-O 3.22Å; W51-S162 WeakPolarHBondContact CB-O 3.48Å; W51-S162 PolarHBondContact N-O 2.92Å; W51-V164 HydrophobicContact CB-CB 4.04Å; W51-V164 HydrophobicContact CB-CG1 4.4Å; W51-V164 HydrophobicContact CD2-CB 3.7Å; W51-V164 HydrophobicContact CD2-CG2 4.14Å; W51-V164 HydrophobicContact CE3-CB 4.01Å; W51-V164 HydrophobicContact CE3-CG2 4.46Å; W51-V164 HydrophobicContact CG-CB 3.71Å; W51-V164 HydrophobicContact CG-CG1 4.35Å; W51-V164 HydrophobicContact CG-CG2 4.47Å; W51-V234 HydrophobicContact CZ2-CG1 4.02Å; W51-F236 HydrophobicContact CZ2-CE1 4.47Å; W51-A241 HydrophobicContact CH2-CB 3.29Å; W51-A241 HydrophobicContact CZ2-CB 3.7Å; W51-A241 HydrophobicContact CZ3-CB 3.96Å |
| 52 | T | 94 | Very high | 82.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.4 | -173.9 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | V48 M49 L65 S182 L189 | V48-T52 HydrophobicContact CG1-CG2 4.45Å; M49-T52 WeakPolarHBondContact O-CB 3.42Å; M49-T52 PolarHBondContact O-N 2.71Å; T52-L65 HydrophobicContact CG2-CD2 4.41Å; T52-S182 PolarHBondContact OG1-OG 2.02Å; T52-L189 HydrophobicContact CG2-CD1 4.47Å; T52-L189 HydrophobicContact CG2-CD2 3.86Å |
| 53 | V | 93.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 155.7 | 179.5 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | W51 L65 G66 I68 V85 V108 Y109 A110 F155 | W51-V53 PolarHBondContact O-N 2.8Å; V53-L65 CarbonylContact O-C 3.53Å; V53-L65 WeakPolarHBondContact O-CA 3.39Å; V53-G66 PolarHBondContact N-O 3.35Å; V53-G66 PolarHBondContact O-N 3.43Å; V53-I68 HydrophobicContact CG1-CD1 3.8Å; V53-I68 HydrophobicContact CG1-CG1 3.49Å; V53-I68 VanDerWaalsContact CG1-CG1 3.49Å; V53-V85 HydrophobicContact CG2-CG1 3.53Å; V53-V85 HydrophobicContact CG2-CG2 4.45Å; V53-V108 HydrophobicContact CB-CG1 3.78Å; V53-V108 HydrophobicContact CG1-CG1 4.25Å; V53-V108 HydrophobicContact CG2-CG1 3.76Å; V53-Y109 VanDerWaalsContact CA-O 3.24Å; V53-Y109 WeakPolarHBondContact CA-O 3.4Å; V53-Y109 VanDerWaalsContact CB-O 3.24Å; V53-Y109 WeakPolarHBondContact CB-O 3.27Å; V53-A110 HydrophobicContact CG1-CB 3.82Å; V53-F155 HydrophobicContact CG1-CE2 4.42Å |
| 54 | V | 92.3 | Very high | 85 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.2 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | R56 F62 L65 V108 Y109 L112 L117 | V54-R56 HydrophobicContact CG1-CG 4.09Å; V54-F62 HydrophobicContact CG1-CD2 3.7Å; V54-F62 HydrophobicContact CG1-CE2 3.98Å; V54-F62 HydrophobicContact CG2-CE2 4.46Å; V54-L65 HydrophobicContact CG2-CD2 3.64Å; V54-V108 WeakPolarHBondContact O-CA 3.11Å; V54-Y109 PolarHBondContact N-O 2.8Å; V54-Y109 PolarHBondContact O-N 3.03Å; V54-L112 HydrophobicContact CB-CD1 3.73Å; V54-L112 HydrophobicContact CG2-CD1 3.42Å; V54-L112 VanDerWaalsContact CG2-CD1 3.42Å; V54-L117 HydrophobicContact CB-CD2 4.24Å; V54-L117 HydrophobicContact CG1-CD2 4.26Å; V54-L117 HydrophobicContact CG2-CD2 3.72Å |
| 55 | I | 93.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.7 | 176.8 | -56.5 | 167 | 0 | 0 | 0 | 108.5 | K63 C64 T87 F92 Y106 R107 V108 I149 | I55-K63 WeakPolarHBondContact O-CB 3.35Å; I55-K63 PolarHBondContact O-N 2.75Å; I55-C64 HydrophobicContact CD1-CB 4.38Å; I55-C64 PolarHBondContact N-O 2.88Å; I55-C64 PolarHBondContact O-N 2.81Å; I55-T87 HydrophobicContact CD1-CG2 3.66Å; I55-T87 WeakPolarHBondContact CD1-OG1 3.48Å; I55-F92 HydrophobicContact CD1-CZ 4.35Å; I55-F92 HydrophobicContact CG2-CE1 4.37Å; I55-Y106 HydrophobicContact CG2-CD1 4.34Å; I55-R107 WeakPolarHBondContact CA-O 3.43Å; I55-V108 HydrophobicContact CG1-CG2 4.34Å; I55-I149 HydrophobicContact CD1-CD1 3.71Å; I55-I149 HydrophobicContact CG1-CD1 4.29Å |
| 56 | R | 91.1 | Very high | 88.2 | Confident | 22 Ų | 22 | 34.3 Ų | 34.3 | 8% | 0.083 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 155.1 | 175.8 | -65.6 | 178.4 | 167 | 162.5 | -3.5 | 110.9 | V54 G60 N61 Y106 R107 Y109 L117 | V54-R56 HydrophobicContact CG1-CG 4.09Å; R56-G60 WeakPolarHBondContact CD-O 3.49Å; R56-N61 WeakPolarHBondContact CA-O 3.45Å; R56-N61 WeakPolarHBondContact CB-O 3.44Å; R56-Y106 WeakPolarHBondContact O-CA 3.28Å; R56-R107 PolarHBondContact N-O 3.16Å; R56-R107 PolarHBondContact O-N 2.94Å; R56-Y109 HydrophobicContact CB-CE2 4.09Å; R56-Y109 HydrophobicContact CG-CD2 4.41Å; R56-Y109 HydrophobicContact CG-CE2 4.16Å; R56-L117 PolarHBondContact NH1-O 3.42Å; R56-L117 PolarHBondContact NH2-O 3.35Å |
| 57 | D | 88.6 | Confident | 89.9 | Confident | 20 Ų | 20 | 30.9 Ų | 30.9 | 11% | 0.107 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 175 | 165.1 | 64.5 | 26.1 | 0 | 0 | 0 | 112 | L59 G60 N61 K63 S105 | D57-L59 PolarHBondContact O-N 3.46Å; D57-L59 WeakPolarHBondContact OD1-CA 3.46Å; D57-L59 WeakPolarHBondContact OD1-CB 3.48Å; D57-L59 PolarHBondContact OD1-N 2.76Å; D57-G60 PolarHBondContact O-N 3.06Å; D57-G60 PolarHBondContact OD1-N 3.01Å; D57-G60 VanDerWaalsContact OD1-N 3.13Å; D57-N61 PolarHBondContact N-O 2.87Å; D57-N61 PolarHBondContact OD1-N 2.99Å; D57-N61 PolarHBondContact OD1-ND2 3.08Å; D57-N61 PolarHBondContact OD2-ND2 3.18Å; D57-K63 HydrophobicContact CB-CG 4.38Å; D57-K63 WeakPolarHBondContact OD2-CE 3.41Å; D57-K63 IonicContact OD2-NZ 3.81Å; D57-K63 PolarHBondContact OD2-NZ 3.16Å; D57-S105 CarbonylContact C-O 3.43Å; D57-S105 WeakPolarHBondContact CA-O 3.21Å |
| 58 | K | 83.3 | Confident | 90.9 | Very high | 120 Ų | 120 | 27.6 Ų | 27.6 | 52% | 0.522 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28 | 175.8 | -87.2 | -177.6 | -178 | -162.3 | 0 | 114.3 | G60 S104 S105 | K58-G60 PolarHBondContact O-N 2.7Å; K58-S104 WeakPolarHBondContact CE-O 2.97Å; K58-S105 PolarHBondContact N-O 3.21Å |
| 59 | L | 85.2 | Confident | 91.3 | Very high | 150 Ų | 150 | 27 Ų | 27 | 79% | 0.785 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -4.4 | 178.4 | -68.8 | 153.5 | 0 | 0 | 0 | 111.8 | D57 N61 | D57-L59 PolarHBondContact O-N 3.46Å; D57-L59 WeakPolarHBondContact OD1-CA 3.46Å; D57-L59 WeakPolarHBondContact OD1-CB 3.48Å; D57-L59 PolarHBondContact OD1-N 2.76Å; L59-N61 WeakPolarHBondContact CB-ND2 3.46Å |
| 60 | G | 81.7 | Confident | 91.2 | Very high | 36 Ų | 36 | 27.2 Ų | 27.2 | 37% | 0.371 | 14% | 0.141 | S | C | . | . | trans | 87.8 | 2.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | R56 D57 K58 | R56-G60 WeakPolarHBondContact CD-O 3.49Å; D57-G60 PolarHBondContact O-N 3.06Å; D57-G60 PolarHBondContact OD1-N 3.01Å; D57-G60 VanDerWaalsContact OD1-N 3.13Å; K58-G60 PolarHBondContact O-N 2.7Å | ||
| 61 | N | 87.2 | Confident | 90.7 | Very high | 87 Ų | 87 | 29.6 Ų | 29.6 | 47% | 0.465 | 15% | 0.153 | S | C | . | . | trans | -73.3 | 135 | 179.6 | -59 | -60.5 | 0 | 0 | 0 | 110.5 | R56 D57 L59 K63 | R56-N61 WeakPolarHBondContact CA-O 3.45Å; R56-N61 WeakPolarHBondContact CB-O 3.44Å; D57-N61 PolarHBondContact N-O 2.87Å; D57-N61 PolarHBondContact OD1-N 2.99Å; D57-N61 PolarHBondContact OD1-ND2 3.08Å; D57-N61 PolarHBondContact OD2-ND2 3.18Å; L59-N61 WeakPolarHBondContact CB-ND2 3.46Å; N61-K63 PolarHBondContact O-N 3Å | ||
| 62 | F | 87.3 | Confident | 89.6 | Confident | 39 Ų | 39 | 35 Ų | 35 | 17% | 0.171 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 133.9 | 170.7 | 176.7 | -84.4 | 0 | 0 | 0 | 110.5 | V54 C64 L65 Y184 K227 | V54-F62 HydrophobicContact CG1-CD2 3.7Å; V54-F62 HydrophobicContact CG1-CE2 3.98Å; V54-F62 HydrophobicContact CG2-CE2 4.46Å; F62-C64 VanDerWaalsContact CZ-C 3.47Å; F62-L65 HydrophobicContact CE2-CD2 4.06Å; F62-L65 HydrophobicContact CE2-CG 4.22Å; F62-L65 HydrophobicContact CZ-CD2 4.41Å; F62-L65 HydrophobicContact CZ-CG 4.05Å; F62-Y184 HydrophobicContact CB-CE1 4.22Å; F62-Y184 HydrophobicContact CD1-CD1 4.23Å; F62-Y184 AromaticContact CD2-CD1 3.45Å; F62-Y184 HydrophobicContact CD2-CD1 3.45Å; F62-Y184 VanDerWaalsContact CD2-CD1 3.45Å; F62-Y184 AromaticContact CD2-CE1 3.6Å; F62-Y184 HydrophobicContact CD2-CE1 3.6Å; F62-Y184 HydrophobicContact CD2-CG 4.37Å; F62-Y184 HydrophobicContact CE1-CD1 4.26Å; F62-Y184 AromaticContact CE2-CD1 3.46Å; F62-Y184 HydrophobicContact CE2-CD1 3.46Å; F62-Y184 VanDerWaalsContact CE2-CD1 3.46Å; F62-Y184 HydrophobicContact CE2-CE1 4.1Å; F62-Y184 HydrophobicContact CE2-CG 4.03Å; F62-Y184 AromaticContact CG-CD1 3.85Å; F62-Y184 HydrophobicContact CG-CD1 3.85Å; F62-Y184 AromaticContact CG-CE1 3.87Å; F62-Y184 HydrophobicContact CG-CE1 3.87Å; F62-Y184 AromaticContact CZ-CD1 3.88Å; F62-Y184 HydrophobicContact CZ-CD1 3.88Å; F62-Y184 HydrophobicContact CZ-CG 4.44Å; F62-K227 HydrophobicContact CD1-CB 4.24Å; F62-K227 HydrophobicContact CD1-CD 4.01Å; F62-K227 HydrophobicContact CD1-CG 4.28Å; F62-K227 HydrophobicContact CE1-CB 3.57Å; F62-K227 HydrophobicContact CE1-CD 4.19Å; F62-K227 HydrophobicContact CE1-CG 4.07Å; F62-K227 HydrophobicContact CZ-CB 4.04Å; F62-K227 WeakPolarHBondContact CZ-O 3.35Å |
| 63 | K | 90.3 | Very high | 87.8 | Confident | 83 Ų | 83 | 37.6 Ų | 37.6 | 36% | 0.361 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -59.3 | 171.2 | -65.3 | -60.7 | -179.1 | -155.3 | 0 | 111.4 | I55 D57 N61 | I55-K63 WeakPolarHBondContact O-CB 3.35Å; I55-K63 PolarHBondContact O-N 2.75Å; D57-K63 HydrophobicContact CB-CG 4.38Å; D57-K63 WeakPolarHBondContact OD2-CE 3.41Å; D57-K63 IonicContact OD2-NZ 3.81Å; D57-K63 PolarHBondContact OD2-NZ 3.16Å; N61-K63 PolarHBondContact O-N 3Å |
| 64 | C | 93.8 | Very high | 86 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 168.1 | -171.1 | -46.8 | 0 | 0 | 0 | 0 | 111.3 | I55 F62 C91 L229 | I55-C64 HydrophobicContact CD1-CB 4.38Å; I55-C64 PolarHBondContact N-O 2.88Å; I55-C64 PolarHBondContact O-N 2.81Å; F62-C64 VanDerWaalsContact CZ-C 3.47Å; C64-C91 HydrophobicContact CB-CB 3.93Å; C64-C91 WeakPolarHBondContact CB-SG 3.45Å; C64-C91 WeakPolarHBondContact SG-CA 3.46Å; C64-C91 WeakPolarHBondContact SG-CB 3.46Å; C64-C91 CovalentContact SG-SG 2.02Å; C64-C91 PolarHBondContact SG-SG 2.79Å; C64-L229 WeakPolarHBondContact CA-O 3.31Å; C64-L229 VanDerWaalsContact CB-O 3.24Å; C64-L229 WeakPolarHBondContact CB-O 3.15Å |
| 65 | L | 94.9 | Very high | 84 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 170.1 | 162.3 | -66.2 | 170.6 | 0 | 0 | 0 | 110.4 | T52 V53 V54 F62 T87 L189 L229 G230 S231 | T52-L65 HydrophobicContact CG2-CD2 4.41Å; V53-L65 CarbonylContact O-C 3.53Å; V53-L65 WeakPolarHBondContact O-CA 3.39Å; V54-L65 HydrophobicContact CG2-CD2 3.64Å; F62-L65 HydrophobicContact CE2-CD2 4.06Å; F62-L65 HydrophobicContact CE2-CG 4.22Å; F62-L65 HydrophobicContact CZ-CD2 4.41Å; F62-L65 HydrophobicContact CZ-CG 4.05Å; L65-T87 WeakPolarHBondContact O-CB 3.47Å; L65-T87 PolarHBondContact O-OG1 3.46Å; L65-L189 HydrophobicContact CD1-CD1 3.89Å; L65-L189 HydrophobicContact CD2-CD1 3.64Å; L65-L189 HydrophobicContact CG-CD1 4.46Å; L65-L229 PolarHBondContact N-O 2.99Å; L65-G230 CarbonylContact C-O 3.45Å; L65-G230 CarbonylContact O-C 3.59Å; L65-G230 WeakPolarHBondContact O-CA 3.46Å; L65-S231 WeakPolarHBondContact CD1-OG 3.48Å |
| 66 | G | 96.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | -174.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | V53 L86 | V53-G66 PolarHBondContact N-O 3.35Å; V53-G66 PolarHBondContact O-N 3.43Å; G66-L86 CarbonylContact C-O 3.21Å; G66-L86 WeakPolarHBondContact CA-O 3.41Å |
| 67 | S | 97.2 | Very high | 80.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138.9 | -175.3 | 32.6 | 0 | 0 | 0 | 0 | 111.4 | W51 V85 L86 Q243 | W51-S67 CarbonylContact O-C 3.48Å; W51-S67 VanDerWaalsContact O-CA 3.27Å; W51-S67 WeakPolarHBondContact O-CA 3.36Å; S67-V85 CarbonylContact O-C 3.58Å; S67-V85 WeakPolarHBondContact O-CA 3.36Å; S67-L86 PolarHBondContact N-O 2.99Å; S67-L86 PolarHBondContact O-N 2.88Å; S67-L86 PolarHBondContact OG-O 3.23Å; S67-Q243 VanDerWaalsContact CB-OE1 3.3Å; S67-Q243 VanDerWaalsContact OG-CD 3.26Å; S67-Q243 PolarHBondContact OG-NE2 2.82Å; S67-Q243 PolarHBondContact OG-OE1 3.15Å |
| 68 | I | 95.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 126.4 | 172.4 | -56.2 | 170.3 | 0 | 0 | 0 | 108.4 | W51 V53 A110 F155 V161 P163 V164 | W51-I68 HydrophobicContact CB-CB 4.43Å; W51-I68 PolarHBondContact O-N 2.85Å; V53-I68 HydrophobicContact CG1-CD1 3.8Å; V53-I68 HydrophobicContact CG1-CG1 3.49Å; V53-I68 VanDerWaalsContact CG1-CG1 3.49Å; I68-A110 HydrophobicContact CD1-CB 3.8Å; I68-F155 HydrophobicContact CD1-CD2 3.94Å; I68-F155 HydrophobicContact CD1-CE2 4.48Å; I68-F155 HydrophobicContact CG1-CD2 4.35Å; I68-V161 HydrophobicContact CD1-CG1 3.5Å; I68-P163 HydrophobicContact CG2-CB 4.15Å; I68-P163 WeakPolarHBondContact O-CA 3.21Å; I68-V164 PolarHBondContact O-N 3.14Å |
| 69 | I | 93.7 | Very high | 77.6 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 161.7 | 174.6 | 58.1 | 163.8 | 0 | 0 | 0 | 110.4 | S82 L84 L86 M148 V164 I166 | I69-S82 WeakPolarHBondContact O-CB 3.24Å; I69-S82 PolarHBondContact O-OG 2.6Å; I69-L84 HydrophobicContact CD1-CB 3.96Å; I69-L84 HydrophobicContact CD1-CD1 4.39Å; I69-L84 HydrophobicContact CG1-CB 3.58Å; I69-L84 PolarHBondContact N-O 2.87Å; I69-L84 VanDerWaalsContact N-O 3.15Å; I69-L86 HydrophobicContact CD1-CD1 4.32Å; I69-L86 HydrophobicContact CD1-CD2 3.98Å; I69-L86 HydrophobicContact CD1-CG 3.9Å; I69-L86 HydrophobicContact CG1-CG 4.29Å; I69-L86 HydrophobicContact CG2-CD1 3.65Å; I69-L86 HydrophobicContact CG2-CG 3.72Å; I69-M148 HydrophobicContact CD1-SD 4.34Å; I69-V164 HydrophobicContact CG2-CG1 4.3Å; I69-I166 HydrophobicContact CB-CD1 3.81Å; I69-I166 HydrophobicContact CB-CG1 4.27Å; I69-I166 HydrophobicContact CD1-CD1 3.78Å; I69-I166 HydrophobicContact CG1-CD1 4.4Å; I69-I166 HydrophobicContact CG2-CD1 3.69Å; I69-I166 HydrophobicContact CG2-CG1 3.91Å |
| 70 | P | 88.2 | Confident | 77.3 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | trans | -69.5 | 140.7 | -177.9 | -14.4 | 30.8 | 0 | 0 | 0 | 110.5 | C27 Y72 P163 V164 | C27-P70 HydrophobicContact CB-CG 3.61Å; P70-Y72 HydrophobicContact CB-CD2 4.26Å; P70-Y72 HydrophobicContact CB-CE1 4.39Å; P70-Y72 HydrophobicContact CB-CE2 3.65Å; P70-Y72 HydrophobicContact CG-CE2 4.15Å; P70-P163 HydrophobicContact CB-CB 4.43Å; P70-P163 HydrophobicContact CG-CB 4.05Å; P70-P163 HydrophobicContact CG-CG 4.37Å; P70-V164 VanDerWaalsContact CD-O 3.28Å; P70-V164 WeakPolarHBondContact CD-O 3.04Å | ||
| 71 | D | 82.3 | Confident | 77.6 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | trans | -100.8 | 110.1 | 171.5 | -154.6 | -12.8 | 0 | 0 | 0 | 107.2 | G83 L84 | D71-G83 PolarHBondContact OD2-N 2.86Å; D71-L84 HydrophobicContact CB-CD1 4.31Å; D71-L84 HydrophobicContact CB-CG 4.43Å | ||
| 72 | Y | 70.9 | Confident | 77.8 | Confident | 112 Ų | 112 | 58.6 Ų | 58.6 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -97.3 | 137.8 | -175.8 | -63.2 | -87.1 | 0 | 0 | 0 | 109.8 | P70 H78 | P70-Y72 HydrophobicContact CB-CD2 4.26Å; P70-Y72 HydrophobicContact CB-CE1 4.39Å; P70-Y72 HydrophobicContact CB-CE2 3.65Å; P70-Y72 HydrophobicContact CG-CE2 4.15Å; Y72-H78 AromaticContact CD1-CE1 3.7Å; Y72-H78 AromaticContact CD1-ND1 3.88Å; Y72-H78 AromaticContact CE1-CE1 2.97Å; Y72-H78 WeakPolarHBondContact CE1-CE1 3.24Å; Y72-H78 AromaticContact CE1-ND1 3.6Å; Y72-H78 AromaticContact CE1-NE2 3.48Å; Y72-H78 WeakPolarHBondContact CE1-NE2 3.35Å; Y72-H78 AromaticContact CZ-CE1 3.49Å; Y72-H78 VanDerWaalsContact CZ-CE1 3.49Å |
| 73 | D | 57.5 | Low | 77.9 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | trans | -78.4 | 175.8 | 167.9 | 77.1 | 0.3 | 0 | 0 | 0 | 112.1 | S75 G76 R77 | D73-S75 PolarHBondContact O-N 3.22Å; D73-S75 VanDerWaalsContact OD1-CA 3.24Å; D73-S75 WeakPolarHBondContact OD1-CA 3.42Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 2.85Å; D73-S75 PolarHBondContact OD1-OG 3.23Å; D73-S75 PolarHBondContact OD2-OG 3.46Å; D73-G76 PolarHBondContact O-N 2.64Å; D73-G76 PolarHBondContact OD1-N 3.46Å; D73-R77 PolarHBondContact N-O 2.97Å; D73-R77 PolarHBondContact OD1-N 2.99Å | ||
| 74 | H | 54.4 | Low | 78.2 | Confident | 211 Ų | 211 | 54.3 Ų | 54.3 | 98% | 0.977 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.9 | 175.4 | -61.8 | -57.5 | 0 | 0 | 0 | 113.8 | ||
| 75 | S | 51.2 | Low | 78.3 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 57% | 0.566 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -1.2 | 179.2 | 81.5 | 0 | 0 | 0 | 0 | 113.5 | D73 R77 | D73-S75 PolarHBondContact O-N 3.22Å; D73-S75 VanDerWaalsContact OD1-CA 3.24Å; D73-S75 WeakPolarHBondContact OD1-CA 3.42Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 2.85Å; D73-S75 PolarHBondContact OD1-OG 3.23Å; D73-S75 PolarHBondContact OD2-OG 3.46Å; S75-R77 PolarHBondContact O-N 2.79Å |
| 76 | G | 52.8 | Low | 78.4 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 74.9 | 4.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D73 | D73-G76 PolarHBondContact O-N 2.64Å; D73-G76 PolarHBondContact OD1-N 3.46Å |
| 77 | R | 54.2 | Low | 78.5 | Confident | 183 Ų | 183 | 54.2 Ų | 54.2 | 69% | 0.691 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 139 | 173.2 | -70.4 | -175.7 | -174.5 | -175.4 | 2.9 | 110.1 | D73 S75 | D73-R77 PolarHBondContact N-O 2.97Å; D73-R77 PolarHBondContact OD1-N 2.99Å; S75-R77 PolarHBondContact O-N 2.79Å |
| 78 | H | 57.4 | Low | 78.4 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -77.8 | 150.7 | 174.2 | -66.7 | -85.9 | 0 | 0 | 0 | 111.1 | S25 Y72 | S25-H78 WeakPolarHBondContact CA-NE2 3.08Å; S25-H78 WeakPolarHBondContact CB-NE2 3.22Å; Y72-H78 AromaticContact CD1-CE1 3.7Å; Y72-H78 AromaticContact CD1-ND1 3.88Å; Y72-H78 AromaticContact CE1-CE1 2.97Å; Y72-H78 WeakPolarHBondContact CE1-CE1 3.24Å; Y72-H78 AromaticContact CE1-ND1 3.6Å; Y72-H78 AromaticContact CE1-NE2 3.48Å; Y72-H78 WeakPolarHBondContact CE1-NE2 3.35Å; Y72-H78 AromaticContact CZ-CE1 3.49Å; Y72-H78 VanDerWaalsContact CZ-CE1 3.49Å |
| 79 | W | 58.4 | Low | 78.3 | Confident | 156 Ų | 156 | 54.2 Ų | 54.2 | 59% | 0.591 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 153 | 165.3 | -69.6 | 54.3 | 0 | 0 | 0 | 109.8 | V81 | W79-V81 HydrophobicContact CB-CG2 3.69Å; W79-V81 WeakPolarHBondContact CB-O 3.13Å; W79-V81 HydrophobicContact CD2-CG2 4.24Å; W79-V81 HydrophobicContact CE3-CG2 3.69Å; W79-V81 HydrophobicContact CG-CG2 4.3Å; W79-V81 PolarHBondContact O-N 2.94Å |
| 80 | N | 78.5 | Confident | 78.2 | Confident | 115 Ų | 115 | 54.9 Ų | 54.9 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -69.3 | 17.1 | 163.7 | -69.3 | -11.2 | 0 | 0 | 0 | 112.3 | L157 | N80-L157 PolarHBondContact O-N 3.26Š|
| 81 | V | 87.3 | Confident | 78.4 | Confident | 36 Ų | 36 | 55 Ų | 55 | 22% | 0.218 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 157.3 | 177.9 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | W79 P154 F155 L156 | W79-V81 HydrophobicContact CB-CG2 3.69Å; W79-V81 WeakPolarHBondContact CB-O 3.13Å; W79-V81 HydrophobicContact CD2-CG2 4.24Å; W79-V81 HydrophobicContact CE3-CG2 3.69Å; W79-V81 HydrophobicContact CG-CG2 4.3Å; W79-V81 PolarHBondContact O-N 2.94Å; V81-P154 HydrophobicContact CB-CB 3.84Å; V81-P154 HydrophobicContact CG2-CB 3.99Å; V81-F155 CarbonylContact C-O 3.58Å; V81-F155 WeakPolarHBondContact CA-O 3.38Å; V81-F155 WeakPolarHBondContact CB-O 3.08Å; V81-L156 HydrophobicContact CG1-CD1 3.9Å |
| 82 | S | 90.6 | Very high | 78.8 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130.8 | 167.3 | 173 | 0 | 0 | 0 | 0 | 112.2 | I69 L84 P154 F155 | I69-S82 WeakPolarHBondContact O-CB 3.24Å; I69-S82 PolarHBondContact O-OG 2.6Å; S82-L84 PolarHBondContact OG-N 2.82Å; S82-P154 CarbonylContact O-C 3.48Å; S82-P154 WeakPolarHBondContact O-CA 3.41Å; S82-F155 PolarHBondContact N-O 2.89Å; S82-F155 PolarHBondContact O-N 3.32Å |
| 83 | G | 91.5 | Very high | 79.6 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 4.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D71 T150 L151 | D71-G83 PolarHBondContact OD2-N 2.86Å; G83-T150 CarbonylContact O-C 3.55Å; G83-T150 WeakPolarHBondContact O-CA 3.46Å; G83-L151 WeakPolarHBondContact O-CG 2.9Å; G83-L151 PolarHBondContact O-N 2.88Å |
| 84 | L | 94.8 | Very high | 80.3 | Confident | 30 Ų | 30 | 53 Ų | 53 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.1 | -166.3 | -61.5 | -179.4 | 0 | 0 | 0 | 112.3 | I69 D71 S82 M148 I149 | I69-L84 HydrophobicContact CD1-CB 3.96Å; I69-L84 HydrophobicContact CD1-CD1 4.39Å; I69-L84 HydrophobicContact CG1-CB 3.58Å; I69-L84 PolarHBondContact N-O 2.87Å; I69-L84 VanDerWaalsContact N-O 3.15Å; D71-L84 HydrophobicContact CB-CD1 4.31Å; D71-L84 HydrophobicContact CB-CG 4.43Å; S82-L84 PolarHBondContact OG-N 2.82Å; L84-M148 HydrophobicContact CD2-SD 4.42Å; L84-I149 WeakPolarHBondContact CA-O 3.5Å |
| 85 | V | 97.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.1 | -178.7 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V53 S67 V108 M148 I149 L151 | V53-V85 HydrophobicContact CG2-CG1 3.53Å; V53-V85 HydrophobicContact CG2-CG2 4.45Å; S67-V85 CarbonylContact O-C 3.58Å; S67-V85 WeakPolarHBondContact O-CA 3.36Å; V85-V108 HydrophobicContact CG2-CG1 4.26Å; V85-M148 CarbonylContact O-C 3.55Å; V85-M148 VanDerWaalsContact O-CA 3.32Å; V85-M148 WeakPolarHBondContact O-CA 3.04Å; V85-I149 HydrophobicContact CB-CB 4.2Å; V85-I149 HydrophobicContact CB-CD1 4.34Å; V85-I149 HydrophobicContact CG1-CD1 4.06Å; V85-I149 PolarHBondContact N-O 3.42Å; V85-I149 PolarHBondContact O-N 2.91Å; V85-L151 HydrophobicContact CG2-CD1 4.2Å |
| 86 | L | 97.2 | Very high | 81 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 140.5 | 172.2 | -64.2 | -172.9 | 0 | 0 | 0 | 111.9 | G66 S67 I69 M148 I166 V246 V270 V273 | G66-L86 CarbonylContact C-O 3.21Å; G66-L86 WeakPolarHBondContact CA-O 3.41Å; S67-L86 PolarHBondContact N-O 2.99Å; S67-L86 PolarHBondContact O-N 2.88Å; S67-L86 PolarHBondContact OG-O 3.23Å; I69-L86 HydrophobicContact CD1-CD1 4.32Å; I69-L86 HydrophobicContact CD1-CD2 3.98Å; I69-L86 HydrophobicContact CD1-CG 3.9Å; I69-L86 HydrophobicContact CG1-CG 4.29Å; I69-L86 HydrophobicContact CG2-CD1 3.65Å; I69-L86 HydrophobicContact CG2-CG 3.72Å; L86-M148 HydrophobicContact CD2-CB 3.96Å; L86-M148 HydrophobicContact CD2-CG 4.09Å; L86-I166 HydrophobicContact CD1-CD1 4.33Å; L86-V246 HydrophobicContact CB-CG2 4.43Å; L86-V270 HydrophobicContact CD1-CB 4.02Å; L86-V270 HydrophobicContact CD1-CG1 3.84Å; L86-V273 HydrophobicContact CD2-CG1 3.51Å |
| 87 | T | 97.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | -175.9 | 178.3 | -171.7 | 0 | 0 | 0 | 0 | 111 | I55 L65 F92 I146 A147 I149 V246 | I55-T87 HydrophobicContact CD1-CG2 3.66Å; I55-T87 WeakPolarHBondContact CD1-OG1 3.48Å; L65-T87 WeakPolarHBondContact O-CB 3.47Å; L65-T87 PolarHBondContact O-OG1 3.46Å; T87-F92 HydrophobicContact CG2-CE2 3.58Å; T87-F92 HydrophobicContact CG2-CZ 3.69Å; T87-I146 VanDerWaalsContact O-CG2 3.29Å; T87-I146 WeakPolarHBondContact O-CG2 3.49Å; T87-A147 HydrophobicContact CG2-CB 4.22Å; T87-A147 PolarHBondContact N-O 2.73Å; T87-A147 PolarHBondContact O-N 3.44Å; T87-A147 VanDerWaalsContact O-O 3.09Å; T87-I149 HydrophobicContact CG2-CD1 4.17Å; T87-I149 HydrophobicContact CG2-CG1 4.29Å; T87-V246 VanDerWaalsContact C-CG1 3.48Å |
| 88 | A | 95.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 140.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S90 C91 L229 V246 L248 | A88-S90 VanDerWaalsContact C-N 3.26Å; A88-S90 PolarHBondContact O-N 3.13Å; A88-C91 WeakPolarHBondContact O-CB 3.27Å; A88-C91 PolarHBondContact O-N 3Å; A88-L229 HydrophobicContact CB-CD1 3.64Å; A88-L229 HydrophobicContact CB-CG 3.83Å; A88-V246 HydrophobicContact CB-CG1 4.45Å; A88-L248 HydrophobicContact CB-CD2 3.52Å |
| 89 | G | 92.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -61.6 | -35.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | C91 F92 W100 G145 | G89-C91 PolarHBondContact O-N 2.68Å; G89-F92 PolarHBondContact O-N 2.7Å; G89-F92 VanDerWaalsContact O-N 3.14Å; G89-W100 WeakPolarHBondContact O-CZ3 3.32Å; G89-G145 PolarHBondContact N-O 2.87Å |
| 90 | S | 91.3 | Very high | 83.5 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 12% | 0.119 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -59 | -17 | 175.1 | -67.1 | 0 | 0 | 0 | 0 | 113.4 | A88 F92 R93 E140 K141 N144 | A88-S90 VanDerWaalsContact C-N 3.26Å; A88-S90 PolarHBondContact O-N 3.13Å; S90-F92 PolarHBondContact O-N 2.93Å; S90-R93 PolarHBondContact O-N 2.93Å; S90-E140 PolarHBondContact OG-O 3.36Å; S90-K141 WeakPolarHBondContact OG-CA 3.42Å; S90-K141 PolarHBondContact OG-O 3.45Å; S90-N144 WeakPolarHBondContact OG-CB 3.36Å; S90-N144 PolarHBondContact OG-ND2 3.04Å |
| 91 | C | 92.6 | Very high | 83.7 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.054 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -58.8 | -31.6 | 175.4 | -157.5 | 0 | 0 | 0 | 0 | 114.1 | C64 A88 G89 | C64-C91 HydrophobicContact CB-CB 3.93Å; C64-C91 WeakPolarHBondContact CB-SG 3.45Å; C64-C91 WeakPolarHBondContact SG-CA 3.46Å; C64-C91 WeakPolarHBondContact SG-CB 3.46Å; C64-C91 CovalentContact SG-SG 2.02Å; C64-C91 PolarHBondContact SG-SG 2.79Å; A88-C91 WeakPolarHBondContact O-CB 3.27Å; A88-C91 PolarHBondContact O-N 3Å; G89-C91 PolarHBondContact O-N 2.68Å |
| 92 | F | 92.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -103.1 | 0.7 | -172.9 | -50.3 | -66.8 | 0 | 0 | 0 | 112.7 | I55 T87 G89 S90 W100 G101 Y106 I130 I132 A147 I149 L287 | I55-F92 HydrophobicContact CD1-CZ 4.35Å; I55-F92 HydrophobicContact CG2-CE1 4.37Å; T87-F92 HydrophobicContact CG2-CE2 3.58Å; T87-F92 HydrophobicContact CG2-CZ 3.69Å; G89-F92 PolarHBondContact O-N 2.7Å; G89-F92 VanDerWaalsContact O-N 3.14Å; S90-F92 PolarHBondContact O-N 2.93Å; F92-W100 HydrophobicContact CB-CE3 4.19Å; F92-W100 HydrophobicContact CB-CZ3 4.4Å; F92-G101 PolarHBondContact O-N 2.96Å; F92-Y106 WeakPolarHBondContact CA-OH 3.12Å; F92-Y106 HydrophobicContact CB-CE2 4.4Å; F92-Y106 AromaticContact CD1-CD1 3.95Å; F92-Y106 HydrophobicContact CD1-CD1 3.95Å; F92-Y106 AromaticContact CD1-CD2 3.77Å; F92-Y106 HydrophobicContact CD1-CD2 3.77Å; F92-Y106 AromaticContact CD1-CE1 3.85Å; F92-Y106 HydrophobicContact CD1-CE1 3.85Å; F92-Y106 AromaticContact CD1-CE2 3.68Å; F92-Y106 HydrophobicContact CD1-CE2 3.68Å; F92-Y106 AromaticContact CD1-CG 3.91Å; F92-Y106 HydrophobicContact CD1-CG 3.91Å; F92-Y106 AromaticContact CD1-CZ 3.73Å; F92-Y106 HydrophobicContact CE1-CD1 4.14Å; F92-Y106 HydrophobicContact CE1-CD2 4.2Å; F92-Y106 HydrophobicContact CE1-CE1 4.47Å; F92-Y106 AromaticContact CE1-CG 4Å; F92-Y106 HydrophobicContact CE1-CG 4Å; F92-Y106 PolarHBondContact O-OH 2.98Å; F92-I130 HydrophobicContact CD1-CD1 3.53Å; F92-I130 HydrophobicContact CD2-CD1 4.39Å; F92-I130 HydrophobicContact CD2-CG2 3.58Å; F92-I130 HydrophobicContact CE1-CD1 3.65Å; F92-I130 HydrophobicContact CE1-CG1 4.44Å; F92-I130 HydrophobicContact CE2-CD1 4.47Å; F92-I130 HydrophobicContact CE2-CG2 3.57Å; F92-I130 HydrophobicContact CG-CD1 3.91Å; F92-I130 HydrophobicContact CG-CG2 4.12Å; F92-I130 HydrophobicContact CZ-CD1 4.13Å; F92-I130 HydrophobicContact CZ-CG1 4.48Å; F92-I130 HydrophobicContact CZ-CG2 4.13Å; F92-I132 HydrophobicContact CB-CD1 4.15Å; F92-I132 HydrophobicContact CD2-CD1 4.06Å; F92-A147 HydrophobicContact CD2-CB 4.06Å; F92-A147 HydrophobicContact CE2-CB 3.69Å; F92-I149 HydrophobicContact CE1-CD1 4.27Å; F92-I149 HydrophobicContact CE2-CG1 4.34Å; F92-I149 HydrophobicContact CZ-CD1 3.6Å; F92-I149 HydrophobicContact CZ-CG1 3.72Å; F92-L287 HydrophobicContact CB-CD1 4.33Å |
| 93 | R | 86.4 | Confident | 83.6 | Confident | 62 Ų | 62 | 50 Ų | 50 | 23% | 0.234 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.5 | 178 | -164.9 | 168.3 | -177.1 | 102.2 | -3.4 | 110.2 | S90 V95 W100 N144 | S90-R93 PolarHBondContact O-N 2.93Å; R93-V95 PolarHBondContact O-N 2.83Å; R93-W100 HydrophobicContact CB-CE3 4.16Å; R93-W100 HydrophobicContact CB-CH2 4.29Å; R93-W100 HydrophobicContact CB-CZ3 3.83Å; R93-W100 HydrophobicContact CG-CZ3 4.47Å; R93-W100 VanDerWaalsContact NH1-CZ2 3.31Å; R93-N144 VanDerWaalsContact CD-ND2 3.29Å; R93-N144 WeakPolarHBondContact CD-ND2 3.29Å; R93-N144 WeakPolarHBondContact CD-OD1 3.05Å |
| 94 | R | 72.4 | Confident | 83.5 | Confident | 118 Ų | 118 | 51.8 Ų | 51.8 | 45% | 0.445 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 106.7 | 174.8 | -62.9 | -177.2 | -177.9 | -167.2 | 1.3 | 109.3 | L96 R97 K98 R99 | R94-L96 PolarHBondContact O-N 2.9Å; R94-R97 HydrophobicContact CB-CB 4.46Å; R94-R97 PolarHBondContact O-N 2.8Å; R94-R97 VanDerWaalsContact O-N 3.11Å; R94-K98 WeakPolarHBondContact O-CA 3.45Å; R94-K98 PolarHBondContact O-N 2.58Å; R94-R99 PolarHBondContact N-O 3.17Å |
| 95 | V | 63.5 | Low | 83.2 | Confident | 110 Ų | 110 | 51.1 Ų | 51.1 | 67% | 0.667 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -48.4 | -53.7 | -178.2 | -178 | 0 | 0 | 0 | 0 | 111.8 | R93 R97 | R93-V95 PolarHBondContact O-N 2.83Å; V95-R97 VanDerWaalsContact C-N 3.31Å; V95-R97 PolarHBondContact O-N 2.99Å |
| 96 | L | 56.7 | Low | 83.1 | Confident | 176 Ų | 176 | 51.4 Ų | 51.4 | 92% | 0.921 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -65.1 | -24 | -177.1 | -77.5 | 156.4 | 0 | 0 | 0 | 115.6 | R94 | R94-L96 PolarHBondContact O-N 2.9Š|
| 97 | R | 58.7 | Low | 82.8 | Confident | 159 Ų | 159 | 54.7 Ų | 54.7 | 60% | 0.6 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -116.2 | -5.3 | -175.7 | -69.9 | -170.3 | -180 | -178.6 | 1.7 | 113.6 | R94 V95 R99 | R94-R97 HydrophobicContact CB-CB 4.46Å; R94-R97 PolarHBondContact O-N 2.8Å; R94-R97 VanDerWaalsContact O-N 3.11Å; V95-R97 VanDerWaalsContact C-N 3.31Å; V95-R97 PolarHBondContact O-N 2.99Å; R97-R99 WeakPolarHBondContact O-CG 3.48Å; R97-R99 PolarHBondContact O-N 2.91Å |
| 98 | K | 61.5 | Low | 82.7 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 40.3 | 35.3 | -168.5 | -62.6 | -161.8 | -179.6 | 171.8 | 0 | 114.2 | R94 E140 E510 | R94-K98 WeakPolarHBondContact O-CA 3.45Å; R94-K98 PolarHBondContact O-N 2.58Å; K98-E140 WeakPolarHBondContact CE-OE1 3.47Å; K98-E140 IonicContact NZ-OE1 3.03Å; K98-E140 PolarHBondContact NZ-OE1 2.9Å; K98-E510 VanDerWaalsContact CD-OE2 3.25Å; K98-E510 WeakPolarHBondContact CD-OE2 3.17Å; K98-E510 WeakPolarHBondContact CE-OE1 3.48Å; K98-E510 VanDerWaalsContact NZ-CD 3.35Å; K98-E510 IonicContact NZ-OE1 3.13Å; K98-E510 PolarHBondContact NZ-OE1 3.34Å; K98-E510 IonicContact NZ-OE2 3.74Å |
| 99 | R | 72.6 | Confident | 82.5 | Confident | 148 Ų | 148 | 55.3 Ų | 55.3 | 56% | 0.558 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 147 | 176.3 | -73.6 | -175.3 | -158.6 | 173.5 | 5.1 | 110.4 | R94 R97 | R94-R99 PolarHBondContact N-O 3.17Å; R97-R99 WeakPolarHBondContact O-CG 3.48Å; R97-R99 PolarHBondContact O-N 2.91Å |
| 100 | W | 82.2 | Confident | 82.4 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 24% | 0.239 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 135.6 | 168.5 | -61 | 108.7 | 0 | 0 | 0 | 110.4 | G89 F92 R93 I132 N144 I285 L287 | G89-W100 WeakPolarHBondContact O-CZ3 3.32Å; F92-W100 HydrophobicContact CB-CE3 4.19Å; F92-W100 HydrophobicContact CB-CZ3 4.4Å; R93-W100 HydrophobicContact CB-CE3 4.16Å; R93-W100 HydrophobicContact CB-CH2 4.29Å; R93-W100 HydrophobicContact CB-CZ3 3.83Å; R93-W100 HydrophobicContact CG-CZ3 4.47Å; R93-W100 VanDerWaalsContact NH1-CZ2 3.31Å; W100-I132 HydrophobicContact CD2-CD1 4.33Å; W100-I132 HydrophobicContact CE3-CD1 3.49Å; W100-I132 VanDerWaalsContact CE3-CD1 3.49Å; W100-I132 HydrophobicContact CH2-CD1 3.81Å; W100-I132 HydrophobicContact CH2-CG2 4.17Å; W100-I132 HydrophobicContact CZ3-CD1 3.18Å; W100-I132 HydrophobicContact CZ3-CG2 4.48Å; W100-N144 HydrophobicContact CH2-CB 4.01Å; W100-N144 WeakPolarHBondContact CH2-OD1 2.8Å; W100-I285 HydrophobicContact CD2-CG2 4.22Å; W100-I285 HydrophobicContact CG-CG2 4.39Å; W100-I285 HydrophobicContact CH2-CD1 4.16Å; W100-I285 HydrophobicContact CZ2-CD1 3.27Å; W100-I285 HydrophobicContact CZ2-CG2 4.34Å; W100-L287 HydrophobicContact CB-CD1 3.99Å; W100-L287 HydrophobicContact CB-CD2 3.58Å; W100-L287 HydrophobicContact CB-CG 4.45Å; W100-L287 HydrophobicContact CE3-CD1 4.28Å; W100-L287 HydrophobicContact CG-CD1 4.48Å; W100-L287 HydrophobicContact CG-CD2 4.03Å |
| 101 | G | 82.8 | Confident | 82.2 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 151 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F92 Y106 | F92-G101 PolarHBondContact O-N 2.96Å; G101-Y106 WeakPolarHBondContact CA-OH 3.43Å |
| 102 | T | 87.5 | Confident | 81.6 | Confident | 91 Ų | 91 | 56 Ų | 56 | 56% | 0.558 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 141.5 | 171.7 | -46.5 | 0 | 0 | 0 | 0 | 109.7 | S104 S105 Y106 | T102-S104 WeakPolarHBondContact CG2-OG 3.45Å; T102-S104 PolarHBondContact O-N 3.13Å; T102-S104 VanDerWaalsContact O-N 3.16Å; T102-S105 VanDerWaalsContact O-CB 3.3Å; T102-S105 WeakPolarHBondContact O-CB 3.21Å; T102-S105 PolarHBondContact O-N 2.84Å; T102-S105 PolarHBondContact O-OG 2.94Å; T102-Y106 WeakPolarHBondContact O-CD2 3.44Å; T102-Y106 WeakPolarHBondContact O-CE2 3.48Å |
| 103 | P | 89.6 | Confident | 80.6 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -53.4 | -39.7 | 179.8 | -30.6 | 37.6 | 0 | 0 | 0 | 113.7 | S105 Y106 A127 K128 I130 L287 | P103-S105 PolarHBondContact O-N 3.2Å; P103-Y106 PolarHBondContact O-N 3.24Å; P103-A127 CarbonylContact C-O 3.58Å; P103-A127 HydrophobicContact CB-CB 4.26Å; P103-A127 WeakPolarHBondContact O-CB 3.25Å; P103-K128 WeakPolarHBondContact CB-O 3.47Å; P103-I130 HydrophobicContact CB-CD1 4.04Å; P103-I130 HydrophobicContact CB-CG1 4.19Å; P103-I130 HydrophobicContact CG-CD1 4.11Å; P103-I130 HydrophobicContact CG-CG1 4.21Å; P103-L287 VanDerWaalsContact CG-C 3.48Å; P103-L287 HydrophobicContact CG-CB 3.74Å; P103-L287 WeakPolarHBondContact CG-O 3.21Å |
| 104 | S | 87.8 | Confident | 79.6 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -59.6 | -16.6 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | K58 T102 Y106 | K58-S104 WeakPolarHBondContact CE-O 2.97Å; T102-S104 WeakPolarHBondContact CG2-OG 3.45Å; T102-S104 PolarHBondContact O-N 3.13Å; T102-S104 VanDerWaalsContact O-N 3.16Å; S104-Y106 PolarHBondContact O-N 3.45Å |
| 105 | S | 89.5 | Confident | 78.7 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -78.9 | -3.3 | 176.3 | 72.5 | 0 | 0 | 0 | 0 | 114.5 | D57 K58 T102 P103 | D57-S105 CarbonylContact C-O 3.43Å; D57-S105 WeakPolarHBondContact CA-O 3.21Å; K58-S105 PolarHBondContact N-O 3.21Å; T102-S105 VanDerWaalsContact O-CB 3.3Å; T102-S105 WeakPolarHBondContact O-CB 3.21Å; T102-S105 PolarHBondContact O-N 2.84Å; T102-S105 PolarHBondContact O-OG 2.94Å; P103-S105 PolarHBondContact O-N 3.2Å |
| 106 | Y | 94.2 | Very high | 78.4 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140.1 | -176 | -56.7 | -81.6 | 0 | 0 | 0 | 112.2 | I55 R56 F92 G101 T102 P103 S104 A127 I130 | I55-Y106 HydrophobicContact CG2-CD1 4.34Å; R56-Y106 WeakPolarHBondContact O-CA 3.28Å; F92-Y106 WeakPolarHBondContact CA-OH 3.12Å; F92-Y106 HydrophobicContact CB-CE2 4.4Å; F92-Y106 AromaticContact CD1-CD1 3.95Å; F92-Y106 HydrophobicContact CD1-CD1 3.95Å; F92-Y106 AromaticContact CD1-CD2 3.77Å; F92-Y106 HydrophobicContact CD1-CD2 3.77Å; F92-Y106 AromaticContact CD1-CE1 3.85Å; F92-Y106 HydrophobicContact CD1-CE1 3.85Å; F92-Y106 AromaticContact CD1-CE2 3.68Å; F92-Y106 HydrophobicContact CD1-CE2 3.68Å; F92-Y106 AromaticContact CD1-CG 3.91Å; F92-Y106 HydrophobicContact CD1-CG 3.91Å; F92-Y106 AromaticContact CD1-CZ 3.73Å; F92-Y106 HydrophobicContact CE1-CD1 4.14Å; F92-Y106 HydrophobicContact CE1-CD2 4.2Å; F92-Y106 HydrophobicContact CE1-CE1 4.47Å; F92-Y106 AromaticContact CE1-CG 4Å; F92-Y106 HydrophobicContact CE1-CG 4Å; F92-Y106 PolarHBondContact O-OH 2.98Å; G101-Y106 WeakPolarHBondContact CA-OH 3.43Å; T102-Y106 WeakPolarHBondContact O-CD2 3.44Å; T102-Y106 WeakPolarHBondContact O-CE2 3.48Å; P103-Y106 PolarHBondContact O-N 3.24Å; S104-Y106 PolarHBondContact O-N 3.45Å; Y106-A127 PolarHBondContact O-N 3.44Å; Y106-I130 HydrophobicContact CD2-CD1 4.04Å; Y106-I130 HydrophobicContact CE2-CD1 4.45Å |
| 107 | R | 92.3 | Very high | 78.3 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.4 | 177.6 | -70.1 | 168.6 | 171 | 176.6 | 4 | 109.2 | I55 R56 Y109 A125 E126 | I55-R107 WeakPolarHBondContact CA-O 3.43Å; R56-R107 PolarHBondContact N-O 3.16Å; R56-R107 PolarHBondContact O-N 2.94Å; R107-Y109 HydrophobicContact CB-CE2 3.73Å; R107-A125 WeakPolarHBondContact CA-O 3.25Å; R107-E126 HydrophobicContact CG-CG 4.38Å |
| 108 | V | 94.3 | Very high | 78 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.7 | -179.2 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | V53 V54 I55 V85 K124 A125 I149 L151 F155 | V53-V108 HydrophobicContact CB-CG1 3.78Å; V53-V108 HydrophobicContact CG1-CG1 4.25Å; V53-V108 HydrophobicContact CG2-CG1 3.76Å; V54-V108 WeakPolarHBondContact O-CA 3.11Å; I55-V108 HydrophobicContact CG1-CG2 4.34Å; V85-V108 HydrophobicContact CG2-CG1 4.26Å; V108-K124 WeakPolarHBondContact O-CA 3.49Å; V108-A125 PolarHBondContact N-O 3.01Å; V108-A125 PolarHBondContact O-N 2.05Å; V108-I149 HydrophobicContact CG2-CD1 3.99Å; V108-L151 HydrophobicContact CB-CD2 3.94Å; V108-L151 HydrophobicContact CG2-CD2 3.68Å; V108-F155 HydrophobicContact CB-CZ 4.3Å; V108-F155 HydrophobicContact CG1-CE2 4.07Å; V108-F155 HydrophobicContact CG1-CZ 4.14Å |
| 109 | Y | 91.5 | Very high | 77.6 | Confident | 14 Ų | 14 | 52 Ų | 52 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.5 | -179.2 | -60.5 | -99.3 | 0 | 0 | 0 | 110.1 | V53 V54 R56 R107 Q123 K124 | V53-Y109 VanDerWaalsContact CA-O 3.24Å; V53-Y109 WeakPolarHBondContact CA-O 3.4Å; V53-Y109 VanDerWaalsContact CB-O 3.24Å; V53-Y109 WeakPolarHBondContact CB-O 3.27Å; V54-Y109 PolarHBondContact N-O 2.8Å; V54-Y109 PolarHBondContact O-N 3.03Å; R56-Y109 HydrophobicContact CB-CE2 4.09Å; R56-Y109 HydrophobicContact CG-CD2 4.41Å; R56-Y109 HydrophobicContact CG-CE2 4.16Å; R107-Y109 HydrophobicContact CB-CE2 3.73Å; Y109-Q123 VanDerWaalsContact CA-O 3.3Å; Y109-Q123 WeakPolarHBondContact CA-O 3.34Å; Y109-K124 HydrophobicContact CD1-CB 3.96Å; Y109-K124 HydrophobicContact CD1-CG 4.09Å; Y109-K124 HydrophobicContact CE1-CB 3.9Å; Y109-K124 HydrophobicContact CE1-CD 3.7Å; Y109-K124 HydrophobicContact CE1-CG 3.62Å |
| 110 | A | 91.1 | Very high | 76.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 159.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V53 I68 G122 Q123 F155 V161 | V53-A110 HydrophobicContact CG1-CB 3.82Å; I68-A110 HydrophobicContact CD1-CB 3.8Å; A110-G122 CarbonylContact O-C 3.55Å; A110-G122 WeakPolarHBondContact O-CA 3.15Å; A110-Q123 PolarHBondContact N-O 3.45Å; A110-Q123 PolarHBondContact O-N 2.94Å; A110-F155 HydrophobicContact CB-CD1 4.23Å; A110-F155 HydrophobicContact CB-CD2 3.84Å; A110-F155 HydrophobicContact CB-CE1 4.06Å; A110-F155 HydrophobicContact CB-CE2 3.64Å; A110-F155 HydrophobicContact CB-CG 4.13Å; A110-F155 HydrophobicContact CB-CZ 3.75Å; A110-V161 HydrophobicContact CB-CG1 4.11Å; A110-V161 HydrophobicContact CB-CG2 4.1Å |
| 111 | G | 86.9 | Confident | 75.8 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 69.7 | 49.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G122 D160 | G111-G122 WeakPolarHBondContact O-CA 3.47Å; G111-D160 WeakPolarHBondContact CA-O 3.36Å |
| 112 | L | 80.1 | Confident | 75.6 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | trans | -93.4 | 143 | -174.8 | -65.1 | 164.2 | 0 | 0 | 0 | 110.5 | V48 V54 L117 | V48-L112 WeakPolarHBondContact CB-O 3.37Å; V48-L112 WeakPolarHBondContact CG2-O 3.44Å; V54-L112 HydrophobicContact CB-CD1 3.73Å; V54-L112 HydrophobicContact CG2-CD1 3.42Å; V54-L112 VanDerWaalsContact CG2-CD1 3.42Å; L112-L117 HydrophobicContact CD1-CD2 3.94Å; L112-L117 HydrophobicContact CD2-CD2 4.12Å | ||
| 113 | D | 72.1 | Confident | 75.7 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | trans | -88.5 | 141.1 | 167.1 | -180 | 1.3 | 0 | 0 | 0 | 109.8 | L115 R116 | D113-L115 PolarHBondContact O-N 2.84Å; D113-L115 VanDerWaalsContact O-N 3.15Å; D113-R116 PolarHBondContact O-N 2.7Å | ||
| 114 | R | 64.5 | Low | 75.7 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -40.4 | -176.3 | -77.2 | -167.8 | -176.5 | -160.3 | -2 | 112.6 | G43 G45 S46 E47 V48 R188 L189 D190 | G43-R114 PolarHBondContact O-NH1 2.93Å; G43-R114 PolarHBondContact O-NH2 2.8Å; G45-R114 WeakPolarHBondContact O-CD 3.22Å; G45-R114 PolarHBondContact O-NE 2.84Å; G45-R114 PolarHBondContact O-NH1 3.05Å; S46-R114 WeakPolarHBondContact O-CG 3.44Å; E47-R114 VanDerWaalsContact O-CZ 3.23Å; E47-R114 PolarHBondContact O-NE 2.86Å; E47-R114 PolarHBondContact O-NH2 3.15Å; V48-R114 HydrophobicContact CG2-CB 4.24Å; V48-R114 HydrophobicContact CG2-CG 3.42Å; V48-R114 VanDerWaalsContact CG2-CG 3.42Å; R114-R188 HydrophobicContact CB-CG 4.41Å; R114-R188 VanDerWaalsContact NH1-NH2 3.17Å; R114-R188 WeakPolarHBondContact O-CA 3.44Å; R114-L189 WeakPolarHBondContact CD-O 3.42Å; R114-L189 WeakPolarHBondContact CG-O 3.47Å; R114-L189 PolarHBondContact O-N 3.24Å; R114-D190 IonicContact NH1-OD1 2.84Å |
| 115 | L | 54.3 | Low | 75.9 | Confident | 118 Ų | 118 | 59.4 Ų | 59.4 | 62% | 0.618 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -14.9 | -171 | -73.6 | 121.9 | 0 | 0 | 0 | 115.1 | D113 | D113-L115 PolarHBondContact O-N 2.84Å; D113-L115 VanDerWaalsContact O-N 3.15Å |
| 116 | R | 57.1 | Low | 76 | Confident | 136 Ų | 136 | 61.5 Ų | 61.5 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | trans | -127.6 | 44.8 | -162.3 | -81.4 | -176.3 | 171.7 | -178.9 | 1.1 | 115.2 | D113 L118 L119 | D113-R116 PolarHBondContact O-N 2.7Å; R116-L118 PolarHBondContact O-N 2.86Å; R116-L119 HydrophobicContact CB-CB 4.36Å; R116-L119 HydrophobicContact CB-CD1 4.3Å; R116-L119 HydrophobicContact CG-CD1 3.91Å; R116-L119 PolarHBondContact O-N 3.03Å | ||
| 117 | L | 53.8 | Low | 76.1 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -12.3 | 177.6 | -85.5 | 130.9 | 0 | 0 | 0 | 116.4 | V54 R56 L112 Y184 | V54-L117 HydrophobicContact CB-CD2 4.24Å; V54-L117 HydrophobicContact CG1-CD2 4.26Å; V54-L117 HydrophobicContact CG2-CD2 3.72Å; R56-L117 PolarHBondContact NH1-O 3.42Å; R56-L117 PolarHBondContact NH2-O 3.35Å; L112-L117 HydrophobicContact CD1-CD2 3.94Å; L112-L117 HydrophobicContact CD2-CD2 4.12Å; L117-Y184 HydrophobicContact CD1-CD2 4.12Å; L117-Y184 HydrophobicContact CD1-CE2 3.4Å; L117-Y184 VanDerWaalsContact CD1-CE2 3.4Å |
| 118 | L | 52.2 | Low | 76.1 | Confident | 153 Ų | 153 | 63.5 Ų | 63.5 | 80% | 0.801 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -25.5 | 175.4 | -74.1 | 156.4 | 0 | 0 | 0 | 112.8 | R116 N120 | R116-L118 PolarHBondContact O-N 2.86Å; L118-N120 PolarHBondContact O-N 3.43Å |
| 119 | L | 54.4 | Low | 76.1 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 58% | 0.581 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -91.1 | 97.5 | 174.2 | -72.3 | 118 | 0 | 0 | 0 | 108.1 | R116 R121 | R116-L119 HydrophobicContact CB-CB 4.36Å; R116-L119 HydrophobicContact CB-CD1 4.3Å; R116-L119 HydrophobicContact CG-CD1 3.91Å; R116-L119 PolarHBondContact O-N 3.03Å; L119-R121 VanDerWaalsContact C-N 3.27Å; L119-R121 PolarHBondContact O-N 3.48Å |
| 120 | N | 53.4 | Low | 76.2 | Confident | 105 Ų | 105 | 66 Ų | 66 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | trans | -66.2 | 70.7 | -174 | -58.3 | -56.1 | 0 | 0 | 0 | 113.3 | L118 G122 | L118-N120 PolarHBondContact O-N 3.43Å; N120-G122 VanDerWaalsContact C-N 3.28Å | ||
| 121 | R | 62.9 | Low | 76.2 | Confident | 227 Ų | 227 | 68.4 Ų | 68.4 | 86% | 0.857 | 32% | 0.324 | S | S | * | . | trans | -76.4 | -19.2 | 165.1 | -76.9 | -169.7 | 174.3 | -175.8 | -2.9 | 112.7 | L119 | L119-R121 VanDerWaalsContact C-N 3.27Å; L119-R121 PolarHBondContact O-N 3.48Å | ||
| 122 | G | 77.8 | Confident | 76.5 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -78.7 | 166 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A110 G111 N120 | A110-G122 CarbonylContact O-C 3.55Å; A110-G122 WeakPolarHBondContact O-CA 3.15Å; G111-G122 WeakPolarHBondContact O-CA 3.47Å; N120-G122 VanDerWaalsContact C-N 3.28Å |
| 123 | Q | 89.5 | Confident | 76.8 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 23% | 0.234 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 145.2 | 173.7 | -60.9 | -176.7 | 46 | 0 | 0 | 111.1 | Y109 A110 F155 L156 | Y109-Q123 VanDerWaalsContact CA-O 3.3Å; Y109-Q123 WeakPolarHBondContact CA-O 3.34Å; A110-Q123 PolarHBondContact N-O 3.45Å; A110-Q123 PolarHBondContact O-N 2.94Å; Q123-F155 HydrophobicContact CB-CD1 3.45Å; Q123-F155 VanDerWaalsContact CB-CD1 3.45Å; Q123-F155 HydrophobicContact CB-CE1 3.67Å; Q123-F155 HydrophobicContact CG-CD1 4.45Å; Q123-F155 WeakPolarHBondContact O-CE1 3.49Å; Q123-L156 PolarHBondContact NE2-O 2.97Å |
| 124 | K | 89.8 | Confident | 77.4 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.1 | -179.8 | 175.4 | -171.8 | 173.3 | -175.9 | 0 | 111.1 | V108 Y109 | V108-K124 WeakPolarHBondContact O-CA 3.49Å; Y109-K124 HydrophobicContact CD1-CB 3.96Å; Y109-K124 HydrophobicContact CD1-CG 4.09Å; Y109-K124 HydrophobicContact CE1-CB 3.9Å; Y109-K124 HydrophobicContact CE1-CD 3.7Å; Y109-K124 HydrophobicContact CE1-CG 3.62Å |
| 125 | A | 92.5 | Very high | 77.9 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R107 V108 L151 K153 F155 | R107-A125 WeakPolarHBondContact CA-O 3.25Å; V108-A125 PolarHBondContact N-O 3.01Å; V108-A125 PolarHBondContact O-N 2.05Å; A125-L151 HydrophobicContact CB-CB 4.16Å; A125-L151 HydrophobicContact CB-CD1 3.85Å; A125-L151 HydrophobicContact CB-CD2 3.96Å; A125-L151 HydrophobicContact CB-CG 4.2Å; A125-K153 WeakPolarHBondContact CB-O 3.24Å; A125-F155 HydrophobicContact CB-CD1 4.43Å; A125-F155 HydrophobicContact CB-CE1 3.73Å; A125-F155 HydrophobicContact CB-CZ 3.84Å |
| 126 | E | 92.4 | Very high | 78.4 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 145.4 | 172 | -63.5 | -167 | 160 | 0 | 0 | 110.8 | R107 K128 K152 | R107-E126 HydrophobicContact CG-CG 4.38Å; E126-K128 PolarHBondContact O-N 2.84Å; E126-K152 HydrophobicContact CB-CD 3.98Å; E126-K152 HydrophobicContact CB-CG 4.32Å; E126-K152 PolarHBondContact O-N 2.83Å; E126-K152 IonicContact OE2-NZ 2.72Å; E126-K152 PolarHBondContact OE2-NZ 3.31Å |
| 127 | A | 94.3 | Very high | 78.5 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 127.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P103 Y106 I130 I149 | P103-A127 CarbonylContact C-O 3.58Å; P103-A127 HydrophobicContact CB-CB 4.26Å; P103-A127 WeakPolarHBondContact O-CB 3.25Å; Y106-A127 PolarHBondContact O-N 3.44Å; A127-I130 HydrophobicContact CB-CD1 4.48Å; A127-I130 HydrophobicContact CB-CG1 4.4Å; A127-I149 HydrophobicContact CB-CG2 3.52Å |
| 128 | K | 93.6 | Very high | 78.6 | Confident | 115 Ų | 115 | 61 Ų | 61 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -52.3 | 175.2 | -171.4 | -178.2 | 178.8 | 174.9 | 0 | 110.5 | P103 E126 T150 K152 | P103-K128 WeakPolarHBondContact CB-O 3.47Å; E126-K128 PolarHBondContact O-N 2.84Å; K128-T150 WeakPolarHBondContact CA-O 3.49Å; K128-T150 VanDerWaalsContact CB-O 3.24Å; K128-T150 WeakPolarHBondContact CB-O 3.34Å; K128-T150 PolarHBondContact N-O 3.3Å; K128-K152 HydrophobicContact CB-CB 4.4Å; K128-K152 HydrophobicContact CB-CG 3.65Å; K128-K152 HydrophobicContact CG-CG 4.11Å |
| 129 | K | 93.6 | Very high | 79.4 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 29% | 0.291 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149 | -178.5 | -65.3 | 174.3 | 174.4 | -170.3 | 0 | 109.2 | I149 T150 L287 | K129-I149 WeakPolarHBondContact O-CA 3.34Å; K129-T150 PolarHBondContact N-O 2.93Å; K129-T150 PolarHBondContact O-N 2.92Å; K129-L287 WeakPolarHBondContact CA-O 3.33Å |
| 130 | I | 94.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 124.6 | 174.2 | -55.7 | 164.4 | 0 | 0 | 0 | 107.3 | F92 P103 Y106 A127 I132 A147 M148 I149 L287 | F92-I130 HydrophobicContact CD1-CD1 3.53Å; F92-I130 HydrophobicContact CD2-CD1 4.39Å; F92-I130 HydrophobicContact CD2-CG2 3.58Å; F92-I130 HydrophobicContact CE1-CD1 3.65Å; F92-I130 HydrophobicContact CE1-CG1 4.44Å; F92-I130 HydrophobicContact CE2-CD1 4.47Å; F92-I130 HydrophobicContact CE2-CG2 3.57Å; F92-I130 HydrophobicContact CG-CD1 3.91Å; F92-I130 HydrophobicContact CG-CG2 4.12Å; F92-I130 HydrophobicContact CZ-CD1 4.13Å; F92-I130 HydrophobicContact CZ-CG1 4.48Å; F92-I130 HydrophobicContact CZ-CG2 4.13Å; P103-I130 HydrophobicContact CB-CD1 4.04Å; P103-I130 HydrophobicContact CB-CG1 4.19Å; P103-I130 HydrophobicContact CG-CD1 4.11Å; P103-I130 HydrophobicContact CG-CG1 4.21Å; Y106-I130 HydrophobicContact CD2-CD1 4.04Å; Y106-I130 HydrophobicContact CE2-CD1 4.45Å; A127-I130 HydrophobicContact CB-CD1 4.48Å; A127-I130 HydrophobicContact CB-CG1 4.4Å; I130-I132 HydrophobicContact CG2-CD1 4.14Å; I130-I132 HydrophobicContact CG2-CG1 3.75Å; I130-A147 HydrophobicContact CG2-CB 4.27Å; I130-M148 WeakPolarHBondContact CA-O 3.22Å; I130-I149 HydrophobicContact CG1-CG2 4.38Å; I130-L287 HydrophobicContact CB-CB 4.18Å; I130-L287 HydrophobicContact CB-CD1 4.28Å; I130-L287 HydrophobicContact CD1-CD1 4.4Å; I130-L287 HydrophobicContact CG2-CD1 4.47Å; I130-L287 PolarHBondContact N-O 2.67Å; I130-L287 PolarHBondContact O-N 3.31Å |
| 131 | R | 91.4 | Very high | 81.1 | Confident | 50 Ų | 50 | 56 Ų | 56 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.5 | 173.9 | -179.2 | -177.5 | 173.6 | 122.1 | -2.7 | 107.7 | A147 M148 E275 V284 | R131-A147 CarbonylContact O-C 3.32Å; R131-A147 WeakPolarHBondContact O-CA 3.22Å; R131-M148 PolarHBondContact N-O 2.87Å; R131-M148 PolarHBondContact O-N 2.89Å; R131-E275 PolarHBondContact NH2-O 3.13Å; R131-V284 HydrophobicContact CG-CG1 3.6Å |
| 132 | I | 91.6 | Very high | 82 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.1 | -176.9 | -50.6 | -178.1 | 0 | 0 | 0 | 108.3 | F92 W100 I130 P134 N144 A147 V284 I285 L287 | F92-I132 HydrophobicContact CB-CD1 4.15Å; F92-I132 HydrophobicContact CD2-CD1 4.06Å; W100-I132 HydrophobicContact CD2-CD1 4.33Å; W100-I132 HydrophobicContact CE3-CD1 3.49Å; W100-I132 VanDerWaalsContact CE3-CD1 3.49Å; W100-I132 HydrophobicContact CH2-CD1 3.81Å; W100-I132 HydrophobicContact CH2-CG2 4.17Å; W100-I132 HydrophobicContact CZ3-CD1 3.18Å; W100-I132 HydrophobicContact CZ3-CG2 4.48Å; I130-I132 HydrophobicContact CG2-CD1 4.14Å; I130-I132 HydrophobicContact CG2-CG1 3.75Å; I132-P134 WeakPolarHBondContact O-CD 3.41Å; I132-N144 WeakPolarHBondContact CG2-O 3.31Å; I132-A147 HydrophobicContact CB-CB 4.38Å; I132-A147 HydrophobicContact CG1-CB 3.89Å; I132-A147 HydrophobicContact CG2-CB 4.48Å; I132-V284 WeakPolarHBondContact O-CA 3.27Å; I132-I285 HydrophobicContact CB-CB 4.16Å; I132-I285 PolarHBondContact N-O 3.28Å; I132-I285 PolarHBondContact O-N 2.87Å; I132-L287 HydrophobicContact CD1-CD1 3.88Å |
| 133 | M | 87 | Confident | 82 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.02 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 94.9 | 177.4 | -167.2 | 67.9 | 78.3 | 0 | 0 | 108.9 | G145 I146 T272 V284 | M133-G145 WeakPolarHBondContact O-CA 3.27Å; M133-I146 PolarHBondContact N-O 3.04Å; M133-I146 PolarHBondContact O-N 2.85Å; M133-I146 VanDerWaalsContact O-N 3.15Å; M133-T272 WeakPolarHBondContact CE-O 3.4Å; M133-T272 HydrophobicContact CG-CG2 3.83Å; M133-V284 HydrophobicContact CE-CG2 3.41Å; M133-V284 VanDerWaalsContact CE-CG2 3.41Å; M133-V284 HydrophobicContact SD-CG2 3.55Å; M133-V284 VanDerWaalsContact SD-CG2 3.55Å |
| 134 | P | 84.5 | Confident | 81.9 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | trans | -75.2 | 143.1 | -178.6 | 31.5 | -34.1 | 0 | 0 | 0 | 111.7 | I132 W143 S283 I285 | I132-P134 WeakPolarHBondContact O-CD 3.41Å; P134-W143 CarbonylContact C-O 3.46Å; P134-W143 WeakPolarHBondContact CA-O 3.24Å; P134-W143 VanDerWaalsContact CB-O 3.23Å; P134-W143 WeakPolarHBondContact CB-O 3.16Å; P134-S283 WeakPolarHBondContact CD-O 3.42Å; P134-S283 WeakPolarHBondContact CG-O 3.31Å; P134-I285 HydrophobicContact CG-CD1 4.42Å | ||
| 135 | Y | 75 | Confident | 81.9 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 13% | 0.129 | 20% | 0.199 | C | C | . | . | trans | -81.6 | -21.4 | 170.4 | -70.7 | -48.7 | 0 | 0 | 0 | 112.9 | A137 I142 W143 I146 T213 L248 F266 G268 H269 T272 | Y135-A137 PolarHBondContact O-N 3.23Å; Y135-I142 HydrophobicContact CD2-CG2 3.97Å; Y135-W143 PolarHBondContact N-O 3.08Å; Y135-I146 HydrophobicContact CE2-CG1 4.43Å; Y135-I146 WeakPolarHBondContact OH-CD1 3.2Å; Y135-T213 HydrophobicContact CD1-CG2 3.7Å; Y135-T213 HydrophobicContact CD2-CG2 4.21Å; Y135-T213 HydrophobicContact CE1-CG2 4.34Å; Y135-T213 WeakPolarHBondContact CE1-O 3.32Å; Y135-T213 HydrophobicContact CG-CG2 3.65Å; Y135-L248 HydrophobicContact CD2-CD1 3.93Å; Y135-L248 HydrophobicContact CE2-CD1 3.62Å; Y135-F266 HydrophobicContact CD2-CE1 4.43Å; Y135-F266 HydrophobicContact CE2-CE1 4.18Å; Y135-G268 WeakPolarHBondContact OH-CA 3.35Å; Y135-H269 PolarHBondContact OH-N 2.89Å; Y135-T272 HydrophobicContact CE1-CG2 3.68Å; Y135-T272 PolarHBondContact OH-OG1 2.75Å | ||
| 136 | N | 64.4 | Low | 81.9 | Confident | 72 Ų | 72 | 42.3 Ų | 42.3 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | trans | 54.4 | 38.5 | -171.8 | -57.7 | -36.4 | 0 | 0 | 0 | 112.8 | W143 | N136-W143 HydrophobicContact CB-CD2 4.47Å; N136-W143 HydrophobicContact CB-CH2 3.8Å; N136-W143 HydrophobicContact CB-CZ2 3.77Å; N136-W143 HydrophobicContact CB-CZ3 4.2Å; N136-W143 PolarHBondContact N-O 3.1Å; N136-W143 VanDerWaalsContact N-O 3.07Å; N136-W143 WeakPolarHBondContact O-CZ3 3.46Å; N136-W143 WeakPolarHBondContact OD1-CZ2 3.19Å; N136-W143 PolarHBondContact OD1-NE1 2.76Å | ||
| 137 | A | 59.2 | Low | 82.1 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 5% | 0.05 | 18% | 0.184 | C | C | . | . | trans | -96.4 | 168.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y135 N139 I142 W143 L210 | Y135-A137 PolarHBondContact O-N 3.23Å; A137-N139 PolarHBondContact O-N 3.16Å; A137-I142 HydrophobicContact CB-CG2 3.82Å; A137-W143 WeakPolarHBondContact O-CB 3.48Å; A137-L210 HydrophobicContact CB-CD2 4.18Å | ||
| 138 | V | 57.2 | Low | 82.1 | Confident | 92 Ų | 92 | 40.8 Ų | 40.8 | 56% | 0.558 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -61.5 | -33.1 | -157.5 | 171.2 | 0 | 0 | 0 | 0 | 117.7 | E209 | V138-E209 WeakPolarHBondContact CB-OE2 3.47Å; V138-E209 HydrophobicContact CG2-CB 4.02Å; V138-E209 HydrophobicContact CG2-CG 3.53Å; V138-E209 WeakPolarHBondContact CG2-OE1 3.18Å; V138-E209 WeakPolarHBondContact CG2-OE2 3.44Å |
| 139 | N | 68.6 | Low | 82.2 | Confident | 53 Ų | 53 | 35.3 Ų | 35.3 | 28% | 0.283 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -100.1 | 147.1 | 179.1 | 80.6 | 45.4 | 0 | 0 | 0 | 112.3 | A137 K141 I142 W143 | A137-N139 PolarHBondContact O-N 3.16Å; N139-K141 PolarHBondContact O-N 3.15Å; N139-K141 VanDerWaalsContact O-N 3.08Å; N139-K141 WeakPolarHBondContact OD1-CB 3.39Å; N139-K141 PolarHBondContact OD1-N 2.9Å; N139-K141 VanDerWaalsContact OD1-N 3.12Å; N139-I142 WeakPolarHBondContact ND2-CD1 3.44Å; N139-I142 PolarHBondContact O-N 3.46Å; N139-I142 WeakPolarHBondContact OD1-CB 3.44Å; N139-I142 VanDerWaalsContact OD1-CG1 3.29Å; N139-I142 WeakPolarHBondContact OD1-CG1 3.47Å; N139-I142 PolarHBondContact OD1-N 2.97Å; N139-W143 VanDerWaalsContact O-CB 3.24Å; N139-W143 WeakPolarHBondContact O-CB 3.19Å; N139-W143 PolarHBondContact O-N 3.44Å |
| 140 | E | 68.7 | Low | 82.3 | Confident | 93 Ų | 93 | 34.5 Ų | 34.5 | 44% | 0.435 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.9 | -26.2 | -174.9 | -66.4 | -167.2 | 164.5 | 0 | 0 | 113.6 | S90 K98 N144 | S90-E140 PolarHBondContact OG-O 3.36Å; K98-E140 WeakPolarHBondContact CE-OE1 3.47Å; K98-E140 IonicContact NZ-OE1 3.03Å; K98-E140 PolarHBondContact NZ-OE1 2.9Å; E140-N144 PolarHBondContact O-ND2 3.38Å |
| 141 | K | 75.6 | Confident | 82.3 | Confident | 116 Ų | 116 | 34.8 Ų | 34.8 | 50% | 0.504 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -73.6 | -43.4 | 179.9 | -71.1 | -175.6 | -179.7 | 175.8 | 0 | 112.1 | S90 N139 L248 | S90-K141 WeakPolarHBondContact OG-CA 3.42Å; S90-K141 PolarHBondContact OG-O 3.45Å; N139-K141 PolarHBondContact O-N 3.15Å; N139-K141 VanDerWaalsContact O-N 3.08Å; N139-K141 WeakPolarHBondContact OD1-CB 3.39Å; N139-K141 PolarHBondContact OD1-N 2.9Å; N139-K141 VanDerWaalsContact OD1-N 3.12Å; K141-L248 WeakPolarHBondContact CB-O 3.47Å |
| 142 | I | 81.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -79.9 | -34.5 | 177.6 | -59.4 | 176 | 0 | 0 | 0 | 110.6 | Y135 A137 N139 N144 G145 L210 L248 L251 F266 | Y135-I142 HydrophobicContact CD2-CG2 3.97Å; A137-I142 HydrophobicContact CB-CG2 3.82Å; N139-I142 WeakPolarHBondContact ND2-CD1 3.44Å; N139-I142 PolarHBondContact O-N 3.46Å; N139-I142 WeakPolarHBondContact OD1-CB 3.44Å; N139-I142 VanDerWaalsContact OD1-CG1 3.29Å; N139-I142 WeakPolarHBondContact OD1-CG1 3.47Å; N139-I142 PolarHBondContact OD1-N 2.97Å; I142-N144 PolarHBondContact O-N 2.68Å; I142-N144 VanDerWaalsContact O-N 3.14Å; I142-G145 WeakPolarHBondContact O-CA 3.3Å; I142-G145 PolarHBondContact O-N 3.08Å; I142-L210 HydrophobicContact CD1-CD1 4.45Å; I142-L210 HydrophobicContact CD1-CD2 3.96Å; I142-L210 HydrophobicContact CG2-CD2 3.91Å; I142-L248 HydrophobicContact CG1-CB 4.23Å; I142-L248 HydrophobicContact CG2-CD1 4.42Å; I142-L251 HydrophobicContact CD1-CD2 3.85Å; I142-F266 HydrophobicContact CD1-CB 4.28Å; I142-F266 HydrophobicContact CD1-CD1 3.79Å; I142-F266 HydrophobicContact CD1-CE1 4.33Å; I142-F266 HydrophobicContact CD1-CG 3.99Å; I142-F266 HydrophobicContact CG1-CD1 3.88Å; I142-F266 HydrophobicContact CG1-CE1 4.32Å; I142-F266 HydrophobicContact CG2-CD1 4.09Å; I142-F266 HydrophobicContact CG2-CE1 3.66Å; I142-F266 HydrophobicContact CG2-CZ 4.29Å |
| 143 | W | 77.8 | Confident | 82.3 | Confident | 110 Ų | 110 | 45.1 Ų | 45.1 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -47.1 | -47.6 | -178.7 | 179.8 | -76.6 | 0 | 0 | 0 | 112.3 | P134 Y135 N136 A137 N139 G145 | P134-W143 CarbonylContact C-O 3.46Å; P134-W143 WeakPolarHBondContact CA-O 3.24Å; P134-W143 VanDerWaalsContact CB-O 3.23Å; P134-W143 WeakPolarHBondContact CB-O 3.16Å; Y135-W143 PolarHBondContact N-O 3.08Å; N136-W143 HydrophobicContact CB-CD2 4.47Å; N136-W143 HydrophobicContact CB-CH2 3.8Å; N136-W143 HydrophobicContact CB-CZ2 3.77Å; N136-W143 HydrophobicContact CB-CZ3 4.2Å; N136-W143 PolarHBondContact N-O 3.1Å; N136-W143 VanDerWaalsContact N-O 3.07Å; N136-W143 WeakPolarHBondContact O-CZ3 3.46Å; N136-W143 WeakPolarHBondContact OD1-CZ2 3.19Å; N136-W143 PolarHBondContact OD1-NE1 2.76Å; A137-W143 WeakPolarHBondContact O-CB 3.48Å; N139-W143 VanDerWaalsContact O-CB 3.24Å; N139-W143 WeakPolarHBondContact O-CB 3.19Å; N139-W143 PolarHBondContact O-N 3.44Å; W143-G145 PolarHBondContact O-N 3.3Å |
| 144 | N | 86.3 | Confident | 82.6 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -3.1 | -176.9 | -56.5 | -56.2 | 0 | 0 | 0 | 113.8 | S90 R93 W100 I132 E140 I142 | S90-N144 WeakPolarHBondContact OG-CB 3.36Å; S90-N144 PolarHBondContact OG-ND2 3.04Å; R93-N144 VanDerWaalsContact CD-ND2 3.29Å; R93-N144 WeakPolarHBondContact CD-ND2 3.29Å; R93-N144 WeakPolarHBondContact CD-OD1 3.05Å; W100-N144 HydrophobicContact CH2-CB 4.01Å; W100-N144 WeakPolarHBondContact CH2-OD1 2.8Å; I132-N144 WeakPolarHBondContact CG2-O 3.31Å; E140-N144 PolarHBondContact O-ND2 3.38Å; I142-N144 PolarHBondContact O-N 2.68Å; I142-N144 VanDerWaalsContact O-N 3.14Å |
| 145 | G | 90.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | 54 | -137.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | G89 M133 I142 W143 L248 | G89-G145 PolarHBondContact N-O 2.87Å; M133-G145 WeakPolarHBondContact O-CA 3.27Å; I142-G145 WeakPolarHBondContact O-CA 3.3Å; I142-G145 PolarHBondContact O-N 3.08Å; W143-G145 PolarHBondContact O-N 3.3Å; G145-L248 VanDerWaalsContact O-CD2 3.26Å; G145-L248 WeakPolarHBondContact O-CD2 3.47Å | ||
| 146 | I | 93.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 152.7 | -173.8 | -51.3 | 176.5 | 0 | 0 | 0 | 109.8 | T87 M133 Y135 V246 G268 H269 V273 | T87-I146 VanDerWaalsContact O-CG2 3.29Å; T87-I146 WeakPolarHBondContact O-CG2 3.49Å; M133-I146 PolarHBondContact N-O 3.04Å; M133-I146 PolarHBondContact O-N 2.85Å; M133-I146 VanDerWaalsContact O-N 3.15Å; Y135-I146 HydrophobicContact CE2-CG1 4.43Å; Y135-I146 WeakPolarHBondContact OH-CD1 3.2Å; I146-V246 HydrophobicContact CD1-CB 4.43Å; I146-V246 HydrophobicContact CG1-CB 4.36Å; I146-V246 HydrophobicContact CG2-CB 4.25Å; I146-V246 HydrophobicContact CG2-CG2 3.87Å; I146-G268 VanDerWaalsContact CD1-O 3.27Å; I146-G268 WeakPolarHBondContact CD1-O 2.99Å; I146-H269 VanDerWaalsContact CD1-C 3.5Å; I146-H269 WeakPolarHBondContact CD1-O 3.16Å; I146-V273 HydrophobicContact CB-CB 4.48Å; I146-V273 HydrophobicContact CG2-CB 4.2Å; I146-V273 HydrophobicContact CG2-CG1 4.5Å |
| 147 | A | 95 | Very high | 84.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T87 F92 I130 R131 I132 | T87-A147 HydrophobicContact CG2-CB 4.22Å; T87-A147 PolarHBondContact N-O 2.73Å; T87-A147 PolarHBondContact O-N 3.44Å; T87-A147 VanDerWaalsContact O-O 3.09Å; F92-A147 HydrophobicContact CD2-CB 4.06Å; F92-A147 HydrophobicContact CE2-CB 3.69Å; I130-A147 HydrophobicContact CG2-CB 4.27Å; R131-A147 CarbonylContact O-C 3.32Å; R131-A147 WeakPolarHBondContact O-CA 3.22Å; I132-A147 HydrophobicContact CB-CB 4.38Å; I132-A147 HydrophobicContact CG1-CB 3.89Å; I132-A147 HydrophobicContact CG2-CB 4.48Å |
| 148 | M | 95.3 | Very high | 86.2 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 14% | 0.143 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129 | 171.9 | -178.7 | 173.9 | 61.9 | 0 | 0 | 109.2 | I69 L84 V85 L86 I130 R131 V273 L274 | I69-M148 HydrophobicContact CD1-SD 4.34Å; L84-M148 HydrophobicContact CD2-SD 4.42Å; V85-M148 CarbonylContact O-C 3.55Å; V85-M148 VanDerWaalsContact O-CA 3.32Å; V85-M148 WeakPolarHBondContact O-CA 3.04Å; L86-M148 HydrophobicContact CD2-CB 3.96Å; L86-M148 HydrophobicContact CD2-CG 4.09Å; I130-M148 WeakPolarHBondContact CA-O 3.22Å; R131-M148 PolarHBondContact N-O 2.87Å; R131-M148 PolarHBondContact O-N 2.89Å; M148-V273 HydrophobicContact CB-CG1 4.4Å; M148-V273 HydrophobicContact CB-CG2 3.69Å; M148-L274 HydrophobicContact SD-CD2 4.1Å |
| 149 | I | 95.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134 | 176.7 | -47.3 | 172.2 | 0 | 0 | 0 | 108.2 | I55 L84 V85 T87 F92 V108 A127 K129 I130 L151 | I55-I149 HydrophobicContact CD1-CD1 3.71Å; I55-I149 HydrophobicContact CG1-CD1 4.29Å; L84-I149 WeakPolarHBondContact CA-O 3.5Å; V85-I149 HydrophobicContact CB-CB 4.2Å; V85-I149 HydrophobicContact CB-CD1 4.34Å; V85-I149 HydrophobicContact CG1-CD1 4.06Å; V85-I149 PolarHBondContact N-O 3.42Å; V85-I149 PolarHBondContact O-N 2.91Å; T87-I149 HydrophobicContact CG2-CD1 4.17Å; T87-I149 HydrophobicContact CG2-CG1 4.29Å; F92-I149 HydrophobicContact CE1-CD1 4.27Å; F92-I149 HydrophobicContact CE2-CG1 4.34Å; F92-I149 HydrophobicContact CZ-CD1 3.6Å; F92-I149 HydrophobicContact CZ-CG1 3.72Å; V108-I149 HydrophobicContact CG2-CD1 3.99Å; A127-I149 HydrophobicContact CB-CG2 3.52Å; K129-I149 WeakPolarHBondContact O-CA 3.34Å; I130-I149 HydrophobicContact CG1-CG2 4.38Å; I149-L151 HydrophobicContact CG2-CD2 4.1Å |
| 150 | T | 95 | Very high | 88.5 | Confident | 49 Ų | 49 | 50.1 Ų | 50.1 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.9 | 162.1 | -48.3 | 0 | 0 | 0 | 0 | 108.3 | G83 K128 K129 | G83-T150 CarbonylContact O-C 3.55Å; G83-T150 WeakPolarHBondContact O-CA 3.46Å; K128-T150 WeakPolarHBondContact CA-O 3.49Å; K128-T150 VanDerWaalsContact CB-O 3.24Å; K128-T150 WeakPolarHBondContact CB-O 3.34Å; K128-T150 PolarHBondContact N-O 3.3Å; K129-T150 PolarHBondContact N-O 2.93Å; K129-T150 PolarHBondContact O-N 2.92Å |
| 151 | L | 94.8 | Very high | 89.6 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 153.3 | -179.9 | -59.7 | 176.3 | 0 | 0 | 0 | 111.3 | G83 V85 V108 A125 I149 K153 F155 | G83-L151 WeakPolarHBondContact O-CG 2.9Å; G83-L151 PolarHBondContact O-N 2.88Å; V85-L151 HydrophobicContact CG2-CD1 4.2Å; V108-L151 HydrophobicContact CB-CD2 3.94Å; V108-L151 HydrophobicContact CG2-CD2 3.68Å; A125-L151 HydrophobicContact CB-CB 4.16Å; A125-L151 HydrophobicContact CB-CD1 3.85Å; A125-L151 HydrophobicContact CB-CD2 3.96Å; A125-L151 HydrophobicContact CB-CG 4.2Å; I149-L151 HydrophobicContact CG2-CD2 4.1Å; L151-K153 WeakPolarHBondContact CB-O 3.41Å; L151-F155 HydrophobicContact CD1-CD2 3.65Å; L151-F155 HydrophobicContact CD1-CE2 3.5Å; L151-F155 HydrophobicContact CD1-CG 4.34Å; L151-F155 HydrophobicContact CD1-CZ 4.07Å |
| 152 | K | 92.2 | Very high | 90.4 | Very high | 111 Ų | 111 | 40.3 Ų | 40.3 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -42.4 | 171.5 | -71.7 | -171.3 | -171.6 | 170 | 0 | 111.5 | E126 K128 | E126-K152 HydrophobicContact CB-CD 3.98Å; E126-K152 HydrophobicContact CB-CG 4.32Å; E126-K152 PolarHBondContact O-N 2.83Å; E126-K152 IonicContact OE2-NZ 2.72Å; E126-K152 PolarHBondContact OE2-NZ 3.31Å; K128-K152 HydrophobicContact CB-CB 4.4Å; K128-K152 HydrophobicContact CB-CG 3.65Å; K128-K152 HydrophobicContact CG-CG 4.11Å |
| 153 | K | 91.3 | Very high | 91 | Very high | 156 Ų | 156 | 40.4 Ų | 40.4 | 68% | 0.678 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.1 | 175.1 | -173.4 | 179.2 | 179.6 | -178.6 | 0 | 107.4 | A125 L151 | A125-K153 WeakPolarHBondContact CB-O 3.24Å; L151-K153 WeakPolarHBondContact CB-O 3.41Å |
| 154 | P | 92.3 | Very high | 91.8 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 151.9 | 172.7 | -26.6 | 36.8 | 0 | 0 | 0 | 112.3 | V81 S82 | V81-P154 HydrophobicContact CB-CB 3.84Å; V81-P154 HydrophobicContact CG2-CB 3.99Å; S82-P154 CarbonylContact O-C 3.48Å; S82-P154 WeakPolarHBondContact O-CA 3.41Å |
| 155 | F | 91.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 141.4 | 170 | -68.1 | -51.6 | 0 | 0 | 0 | 110.7 | V53 I68 V81 S82 V108 A110 Q123 A125 L151 V161 | V53-F155 HydrophobicContact CG1-CE2 4.42Å; I68-F155 HydrophobicContact CD1-CD2 3.94Å; I68-F155 HydrophobicContact CD1-CE2 4.48Å; I68-F155 HydrophobicContact CG1-CD2 4.35Å; V81-F155 CarbonylContact C-O 3.58Å; V81-F155 WeakPolarHBondContact CA-O 3.38Å; V81-F155 WeakPolarHBondContact CB-O 3.08Å; S82-F155 PolarHBondContact N-O 2.89Å; S82-F155 PolarHBondContact O-N 3.32Å; V108-F155 HydrophobicContact CB-CZ 4.3Å; V108-F155 HydrophobicContact CG1-CE2 4.07Å; V108-F155 HydrophobicContact CG1-CZ 4.14Å; A110-F155 HydrophobicContact CB-CD1 4.23Å; A110-F155 HydrophobicContact CB-CD2 3.84Å; A110-F155 HydrophobicContact CB-CE1 4.06Å; A110-F155 HydrophobicContact CB-CE2 3.64Å; A110-F155 HydrophobicContact CB-CG 4.13Å; A110-F155 HydrophobicContact CB-CZ 3.75Å; Q123-F155 HydrophobicContact CB-CD1 3.45Å; Q123-F155 VanDerWaalsContact CB-CD1 3.45Å; Q123-F155 HydrophobicContact CB-CE1 3.67Å; Q123-F155 HydrophobicContact CG-CD1 4.45Å; Q123-F155 WeakPolarHBondContact O-CE1 3.49Å; A125-F155 HydrophobicContact CB-CD1 4.43Å; A125-F155 HydrophobicContact CB-CE1 3.73Å; A125-F155 HydrophobicContact CB-CZ 3.84Å; L151-F155 HydrophobicContact CD1-CD2 3.65Å; L151-F155 HydrophobicContact CD1-CE2 3.5Å; L151-F155 HydrophobicContact CD1-CG 4.34Å; L151-F155 HydrophobicContact CD1-CZ 4.07Å; F155-V161 HydrophobicContact CB-CG1 4.07Å |
| 156 | L | 89.8 | Confident | 92.1 | Very high | 98 Ų | 98 | 36.6 Ų | 36.6 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 129.3 | 170.9 | -171.5 | 72.3 | 0 | 0 | 0 | 109.3 | V81 Q123 | V81-L156 HydrophobicContact CG1-CD1 3.9Å; Q123-L156 PolarHBondContact NE2-O 2.97Å |
| 157 | L | 90.2 | Very high | 91.7 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 131.4 | 179.1 | -54.7 | -178 | 0 | 0 | 0 | 110 | F33 N80 V161 P163 | F33-L157 HydrophobicContact CD1-CB 3.72Å; F33-L157 HydrophobicContact CD1-CD1 4.4Å; F33-L157 HydrophobicContact CE1-CB 3.83Å; F33-L157 HydrophobicContact CE1-CD1 3.65Å; F33-L157 HydrophobicContact CE1-CG 4.4Å; F33-L157 HydrophobicContact CZ-CD1 3.96Å; N80-L157 PolarHBondContact O-N 3.26Å; L157-V161 CarbonylContact C-O 3.58Å; L157-V161 WeakPolarHBondContact CA-O 3.41Å; L157-V161 HydrophobicContact CD2-CG1 4.41Å; L157-P163 HydrophobicContact CD1-CG 4.08Å |
| 158 | N | 87.1 | Confident | 90.9 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 32% | 0.316 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -156.8 | -170 | -177.9 | 68.2 | 8.7 | 0 | 0 | 0 | 110.3 | F33 D160 V161 | F33-N158 WeakPolarHBondContact CB-O 3.42Å; F33-N158 CarbonylContact O-C 3.56Å; N158-D160 PolarHBondContact O-N 3.27Å; N158-D160 VanDerWaalsContact O-N 3.16Å; N158-D160 PolarHBondContact OD1-N 2.82Å; N158-D160 VanDerWaalsContact OD1-N 3.08Å; N158-V161 PolarHBondContact N-O 3.29Å; N158-V161 CarbonylContact O-C 3.54Å; N158-V161 PolarHBondContact O-N 3.26Å; N158-V161 VanDerWaalsContact O-N 3.17Å; N158-V161 WeakPolarHBondContact OD1-CB 3.22Å; N158-V161 PolarHBondContact OD1-N 2.95Å |
| 159 | A | 86.8 | Confident | 90.1 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 28% | 0.281 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -34.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | F33 G34 G35 | F33-A159 WeakPolarHBondContact O-CA 3.06Å; F33-A159 PolarHBondContact O-N 3.29Å; G34-A159 WeakPolarHBondContact O-CB 3.47Å; G35-A159 WeakPolarHBondContact CA-O 3.25Å |
| 160 | D | 87.6 | Confident | 89.5 | Confident | 108 Ų | 108 | 50.6 Ų | 50.6 | 58% | 0.578 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -13.2 | -176.9 | -56.8 | -46.1 | 0 | 0 | 0 | 113.3 | P50 G111 N158 | P50-D160 WeakPolarHBondContact CA-O 3.47Å; G111-D160 WeakPolarHBondContact CA-O 3.36Å; N158-D160 PolarHBondContact O-N 3.27Å; N158-D160 VanDerWaalsContact O-N 3.16Å; N158-D160 PolarHBondContact OD1-N 2.82Å; N158-D160 VanDerWaalsContact OD1-N 3.08Å |
| 161 | V | 91.4 | Very high | 89 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -135.9 | 103.5 | -173.2 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | P50 I68 A110 F155 L157 N158 | P50-V161 WeakPolarHBondContact O-CA 3.22Å; I68-V161 HydrophobicContact CD1-CG1 3.5Å; A110-V161 HydrophobicContact CB-CG1 4.11Å; A110-V161 HydrophobicContact CB-CG2 4.1Å; F155-V161 HydrophobicContact CB-CG1 4.07Å; L157-V161 CarbonylContact C-O 3.58Å; L157-V161 WeakPolarHBondContact CA-O 3.41Å; L157-V161 HydrophobicContact CD2-CG1 4.41Å; N158-V161 PolarHBondContact N-O 3.29Å; N158-V161 CarbonylContact O-C 3.54Å; N158-V161 PolarHBondContact O-N 3.26Å; N158-V161 VanDerWaalsContact O-N 3.17Å; N158-V161 WeakPolarHBondContact OD1-CB 3.22Å; N158-V161 PolarHBondContact OD1-N 2.95Å |
| 162 | S | 92.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -142.7 | 149.7 | 177.8 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | F33 P50 W51 | F33-S162 VanDerWaalsContact CD2-CB 3.41Å; P50-S162 CarbonylContact C-O 3.5Å; P50-S162 WeakPolarHBondContact CB-OG 3.48Å; P50-S162 WeakPolarHBondContact CG-OG 3.37Å; P50-S162 PolarHBondContact O-N 3.02Å; W51-S162 WeakPolarHBondContact CA-O 3.48Å; W51-S162 VanDerWaalsContact CB-O 3.22Å; W51-S162 WeakPolarHBondContact CB-O 3.48Å; W51-S162 PolarHBondContact N-O 2.92Å | ||
| 163 | P | 94.3 | Very high | 88 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 146.7 | -173.2 | 33.2 | -34.3 | 0 | 0 | 0 | 112.5 | C27 G28 I68 P70 L157 | C27-P163 WeakPolarHBondContact CA-O 3.41Å; C27-P163 HydrophobicContact CB-CG 4.38Å; G28-P163 PolarHBondContact N-O 2.78Å; I68-P163 HydrophobicContact CG2-CB 4.15Å; I68-P163 WeakPolarHBondContact O-CA 3.21Å; P70-P163 HydrophobicContact CB-CB 4.43Å; P70-P163 HydrophobicContact CG-CB 4.05Å; P70-P163 HydrophobicContact CG-CG 4.37Å; L157-P163 HydrophobicContact CD1-CG 4.08Å |
| 164 | V | 95 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -83.8 | 148.7 | 172.3 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | W51 I68 I69 P70 V234 A241 Q243 | W51-V164 HydrophobicContact CB-CB 4.04Å; W51-V164 HydrophobicContact CB-CG1 4.4Å; W51-V164 HydrophobicContact CD2-CB 3.7Å; W51-V164 HydrophobicContact CD2-CG2 4.14Å; W51-V164 HydrophobicContact CE3-CB 4.01Å; W51-V164 HydrophobicContact CE3-CG2 4.46Å; W51-V164 HydrophobicContact CG-CB 3.71Å; W51-V164 HydrophobicContact CG-CG1 4.35Å; W51-V164 HydrophobicContact CG-CG2 4.47Å; I68-V164 PolarHBondContact O-N 3.14Å; I69-V164 HydrophobicContact CG2-CG1 4.3Å; P70-V164 VanDerWaalsContact CD-O 3.28Å; P70-V164 WeakPolarHBondContact CD-O 3.04Å; V164-V234 HydrophobicContact CG2-CG1 4.02Å; V164-V234 HydrophobicContact CG2-CG2 4.28Å; V164-A241 HydrophobicContact CG2-CB 4.21Å; V164-A241 WeakPolarHBondContact CG2-O 3.23Å; V164-Q243 HydrophobicContact CB-CB 4.49Å; V164-Q243 HydrophobicContact CG1-CB 3.69Å; V164-Q243 VanDerWaalsContact CG1-OE1 3.31Å; V164-Q243 HydrophobicContact CG2-CB 3.94Å |
| 165 | C | 92.7 | Very high | 85.9 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 150.4 | 174.4 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | C27 A241 Y242 Q243 | C27-C165 HydrophobicContact CB-CB 4.08Å; C27-C165 WeakPolarHBondContact CB-SG 3.3Å; C27-C165 PolarHBondContact O-SG 3.34Å; C27-C165 WeakPolarHBondContact SG-CA 3.46Å; C27-C165 WeakPolarHBondContact SG-CB 3.28Å; C27-C165 CovalentContact SG-SG 2.05Å; C27-C165 PolarHBondContact SG-SG 2.83Å; C165-A241 WeakPolarHBondContact CB-O 3.49Å; C165-A241 PolarHBondContact N-O 3.02Å; C165-A241 VanDerWaalsContact N-O 3.09Å; C165-Y242 HydrophobicContact CB-CD1 3.47Å; C165-Y242 VanDerWaalsContact CB-CD1 3.47Å; C165-Y242 HydrophobicContact CB-CE1 3.52Å; C165-Y242 HydrophobicContact CB-CG 4.08Å; C165-Y242 CarbonylContact O-C 3.46Å; C165-Y242 WeakPolarHBondContact O-CA 3.27Å; C165-Q243 PolarHBondContact O-N 2.94Å |
| 166 | I | 90.9 | Very high | 84.9 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 16% | 0.159 | 30% | 0.297 | C | S | . | . | trans | -107.1 | 133 | 172.1 | -54.2 | -175.2 | 0 | 0 | 0 | 108 | I69 L86 V270 L274 | I69-I166 HydrophobicContact CB-CD1 3.81Å; I69-I166 HydrophobicContact CB-CG1 4.27Å; I69-I166 HydrophobicContact CD1-CD1 3.78Å; I69-I166 HydrophobicContact CG1-CD1 4.4Å; I69-I166 HydrophobicContact CG2-CD1 3.69Å; I69-I166 HydrophobicContact CG2-CG1 3.91Å; L86-I166 HydrophobicContact CD1-CD1 4.33Å; I166-V270 HydrophobicContact CG2-CB 4.46Å; I166-V270 HydrophobicContact CG2-CG2 3.7Å; I166-L274 HydrophobicContact CD1-CD1 3.78Å; I166-L274 HydrophobicContact CG2-CD1 4.03Å | ||
| 167 | P | 85.2 | Confident | 84.3 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | trans | -61.5 | 151.5 | 175.9 | 25.9 | -34.2 | 0 | 0 | 0 | 111.8 | A171 Q243 Y244 V270 | P167-A171 HydrophobicContact CB-CB 4.26Å; P167-Q243 WeakPolarHBondContact CD-O 3.37Å; P167-Y244 HydrophobicContact CB-CD1 4.33Å; P167-Y244 HydrophobicContact CB-CE1 3.96Å; P167-Y244 HydrophobicContact CG-CD1 3.94Å; P167-Y244 HydrophobicContact CG-CE1 4.09Å; P167-Y244 HydrophobicContact CG-CG 4.45Å; P167-V270 HydrophobicContact CG-CG2 4.09Å | ||
| 168 | K | 76.8 | Confident | 84.2 | Confident | 184 Ų | 184 | 53.3 Ų | 53.3 | 80% | 0.8 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -71.7 | 138.9 | 169.3 | -65.1 | -178.1 | -178.4 | 177.3 | 0 | 108.8 | ||
| 169 | A | 79.8 | Confident | 84.4 | Confident | 62 Ų | 62 | 50.6 Ų | 50.6 | 51% | 0.512 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -145.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R271 | A169-R271 WeakPolarHBondContact O-CB 3.26Å; A169-R271 WeakPolarHBondContact O-CD 3.34Å; A169-R271 WeakPolarHBondContact O-CG 3.31Å |
| 170 | Y | 81.7 | Confident | 84.6 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 38.4 | 177.3 | -76.9 | -87.5 | 0 | 0 | 0 | 112.2 | N214 H269 R271 T272 E275 | Y170-N214 HydrophobicContact CD1-CB 3.86Å; Y170-N214 HydrophobicContact CE1-CB 3.94Å; Y170-N214 WeakPolarHBondContact CE1-ND2 3.42Å; Y170-H269 HydrophobicContact CD1-CB 4.23Å; Y170-H269 AromaticContact CD1-CE1 3.77Å; Y170-H269 AromaticContact CD1-CG 3.67Å; Y170-H269 AromaticContact CD1-ND1 3.34Å; Y170-H269 VanDerWaalsContact CD1-ND1 3.34Å; Y170-H269 WeakPolarHBondContact CD1-ND1 3.47Å; Y170-H269 HydrophobicContact CE1-CB 4.26Å; Y170-H269 AromaticContact CE1-ND1 3.7Å; Y170-R271 HydrophobicContact CD1-CB 4.01Å; Y170-R271 HydrophobicContact CD2-CB 4.35Å; Y170-R271 HydrophobicContact CD2-CG 4.04Å; Y170-R271 HydrophobicContact CE1-CB 3.82Å; Y170-R271 HydrophobicContact CE1-CG 4.38Å; Y170-R271 HydrophobicContact CE2-CB 4.18Å; Y170-R271 HydrophobicContact CE2-CG 3.81Å; Y170-R271 HydrophobicContact CG-CB 4.27Å; Y170-R271 HydrophobicContact CG-CG 4.42Å; Y170-T272 WeakPolarHBondContact OH-CA 3.46Å; Y170-E275 WeakPolarHBondContact CE2-OE1 3.36Å; Y170-E275 VanDerWaalsContact CZ-OE1 3.24Å; Y170-E275 PolarHBondContact OH-OE1 2.91Å |
| 171 | A | 84.9 | Confident | 84.8 | Confident | 44 Ų | 44 | 44.6 Ų | 44.6 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | trans | -61 | 142.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P167 Y244 H269 | P167-A171 HydrophobicContact CB-CB 4.26Å; A171-Y244 HydrophobicContact CB-CE1 4.43Å; A171-Y244 WeakPolarHBondContact O-CD1 3.39Å; A171-Y244 WeakPolarHBondContact O-CE1 3.34Å; A171-H269 PolarHBondContact O-NE2 2.82Å; A171-H269 VanDerWaalsContact O-NE2 3.13Å | ||
| 172 | V | 84.9 | Confident | 84.7 | Confident | 61 Ų | 61 | 44.5 Ų | 44.5 | 37% | 0.37 | 25% | 0.25 | S | C | . | . | trans | -107 | 151.5 | 176.6 | -87.3 | 0 | 0 | 0 | 0 | 111.5 | A200 V201 L216 Y244 | V172-A200 HydrophobicContact CB-CB 4.25Å; V172-A200 HydrophobicContact CG1-CB 4.3Å; V172-V201 HydrophobicContact CG1-CG2 3.86Å; V172-L216 HydrophobicContact CG1-CD2 3.43Å; V172-L216 VanDerWaalsContact CG1-CD2 3.43Å; V172-Y244 VanDerWaalsContact C-CE1 3.47Å | ||
| 173 | P | 81 | Confident | 84.4 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | trans | -68.1 | 143.3 | 176.4 | 28.3 | -32.2 | 0 | 0 | 0 | 110.6 | S177 M196 A200 C235 Y244 | P173-S177 WeakPolarHBondContact CB-OG 3.36Å; P173-M196 HydrophobicContact CG-CE 4.13Å; P173-M196 HydrophobicContact CG-CG 4.24Å; P173-A200 HydrophobicContact CG-CB 3.87Å; P173-C235 HydrophobicContact CB-CB 4.36Å; P173-Y244 HydrophobicContact CB-CD2 4.15Å; P173-Y244 HydrophobicContact CB-CE1 4.43Å; P173-Y244 HydrophobicContact CB-CE2 4.08Å; P173-Y244 HydrophobicContact CB-CG 4.35Å; P173-Y244 HydrophobicContact CG-CD1 4.41Å; P173-Y244 HydrophobicContact CG-CD2 4.47Å; P173-Y244 HydrophobicContact CG-CG 4.25Å | ||
| 174 | S | 75 | Confident | 83.9 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | trans | -69.5 | 152.7 | 176.4 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | S176 S177 | S174-S176 PolarHBondContact O-N 3.05Å; S174-S176 PolarHBondContact OG-OG 2.84Å; S174-S177 WeakPolarHBondContact O-CB 3.43Å; S174-S177 PolarHBondContact O-N 3.22Å; S174-S177 PolarHBondContact O-OG 3.28Å | ||
| 175 | N | 65 | Low | 83.1 | Confident | 117 Ų | 117 | 50.4 Ų | 50.4 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.4 | 179.6 | -66 | -14.7 | 0 | 0 | 0 | 113.5 | G199 | N175-G199 PolarHBondContact OD1-N 3.22Š|
| 176 | S | 70.1 | Confident | 81.9 | Confident | 110 Ų | 110 | 51.6 Ų | 51.6 | 77% | 0.769 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -6.4 | 177.7 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | S174 | S174-S176 PolarHBondContact O-N 3.05Å; S174-S176 PolarHBondContact OG-OG 2.84Å |
| 177 | S | 78.7 | Confident | 80.9 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -74.9 | 139.9 | -177.6 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | P173 S174 C179 | P173-S177 WeakPolarHBondContact CB-OG 3.36Å; S174-S177 WeakPolarHBondContact O-CB 3.43Å; S174-S177 PolarHBondContact O-N 3.22Å; S174-S177 PolarHBondContact O-OG 3.28Å; S177-C179 PolarHBondContact O-N 2.97Å |
| 178 | K | 87.1 | Confident | 80.5 | Confident | 138 Ų | 138 | 61.5 Ų | 61.5 | 60% | 0.6 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 110.6 | 175.8 | -66.1 | -179 | -176.6 | 176.3 | 0 | 108.9 | F180 C235 F236 | K178-F180 HydrophobicContact CB-CE2 4.11Å; K178-C235 WeakPolarHBondContact O-CA 3.31Å; K178-F236 PolarHBondContact O-N 3.02Å |
| 179 | C | 91.2 | Very high | 80.8 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 148.1 | -178.7 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | S177 A193 V194 M196 L233 V234 C235 | S177-C179 PolarHBondContact O-N 2.97Å; C179-A193 WeakPolarHBondContact O-CA 3.43Å; C179-V194 HydrophobicContact CB-CG2 3.88Å; C179-V194 PolarHBondContact O-N 3.39Å; C179-M196 HydrophobicContact CB-CG 4.41Å; C179-M196 HydrophobicContact CB-SD 4.43Å; C179-L233 HydrophobicContact CB-CD1 4.16Å; C179-V234 CarbonylContact C-O 3.53Å; C179-V234 VanDerWaalsContact CA-O 3.27Å; C179-V234 WeakPolarHBondContact CA-O 3.04Å; C179-C235 HydrophobicContact CB-CB 4.09Å; C179-C235 WeakPolarHBondContact CB-SG 3.09Å; C179-C235 WeakPolarHBondContact SG-CB 3.33Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 3.46Å |
| 180 | F | 91.5 | Very high | 80.9 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.8 | -176.1 | -60.5 | -92.8 | 0 | 0 | 0 | 111 | M49 K178 N192 A193 V234 F236 | M49-F180 HydrophobicContact CE-CB 3.72Å; M49-F180 HydrophobicContact CE-CD2 4.35Å; M49-F180 HydrophobicContact CE-CG 4.02Å; K178-F180 HydrophobicContact CB-CE2 4.11Å; F180-N192 CarbonylContact C-O 3.55Å; F180-N192 VanDerWaalsContact CA-O 3.23Å; F180-N192 WeakPolarHBondContact CA-O 3.44Å; F180-A193 HydrophobicContact CD1-CB 4.02Å; F180-A193 HydrophobicContact CE1-CB 3.85Å; F180-V234 PolarHBondContact N-O 3.06Å; F180-V234 PolarHBondContact O-N 3.07Å; F180-F236 HydrophobicContact CD2-CE2 4.36Å; F180-F236 HydrophobicContact CD2-CZ 4.28Å; F180-F236 AromaticContact CE2-CD2 3.99Å; F180-F236 HydrophobicContact CE2-CD2 3.99Å; F180-F236 AromaticContact CE2-CE2 3.88Å; F180-F236 HydrophobicContact CE2-CE2 3.88Å; F180-F236 HydrophobicContact CE2-CZ 4.26Å |
| 181 | V | 91.5 | Very high | 81 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.6 | 171.8 | 70 | 0 | 0 | 0 | 0 | 110.3 | T183 N192 V194 F223 Y267 | V181-T183 HydrophobicContact CG1-CG2 4.38Å; V181-N192 HydrophobicContact CG1-CB 4.43Å; V181-N192 PolarHBondContact N-O 2.89Å; V181-N192 PolarHBondContact O-N 2.66Å; V181-V194 HydrophobicContact CB-CG1 4.29Å; V181-V194 HydrophobicContact CG1-CG1 3.55Å; V181-F223 HydrophobicContact CG1-CE2 4.46Å; V181-F223 HydrophobicContact CG1-CZ 4.28Å; V181-Y267 HydrophobicContact CB-CE1 4.41Å; V181-Y267 HydrophobicContact CG2-CE1 3.93Å |
| 182 | S | 89.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 140 | 176.8 | -39.5 | 0 | 0 | 0 | 0 | 111.3 | T52 D190 E191 S231 | T52-S182 PolarHBondContact OG1-OG 2.02Å; S182-D190 CarbonylContact C-O 3.58Å; S182-D190 WeakPolarHBondContact CA-O 3.23Å; S182-E191 VanDerWaalsContact CA-OE2 3.27Å; S182-E191 WeakPolarHBondContact CA-OE2 3.43Å; S182-E191 VanDerWaalsContact CB-OE2 3.25Å; S182-E191 WeakPolarHBondContact CB-OE2 3.3Å; S182-E191 PolarHBondContact N-OE2 3.2Å; S182-E191 VanDerWaalsContact OG-CD 3.28Å; S182-E191 PolarHBondContact OG-OE1 2.82Å; S182-E191 PolarHBondContact OG-OE2 3.09Å; S182-S231 WeakPolarHBondContact O-CB 3.27Å; S182-S231 PolarHBondContact O-OG 3.11Å |
| 183 | T | 86.6 | Confident | 81.1 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.9 | 179.7 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | V181 L189 D190 N192 F223 S228 | V181-T183 HydrophobicContact CG1-CG2 4.38Å; T183-L189 WeakPolarHBondContact O-CA 3.46Å; T183-L189 WeakPolarHBondContact O-CD1 3.31Å; T183-D190 PolarHBondContact N-O 2.92Å; T183-D190 PolarHBondContact O-N 3.24Å; T183-D190 PolarHBondContact OG1-O 2.9Å; T183-N192 WeakPolarHBondContact CG2-ND2 3.44Å; T183-N192 PolarHBondContact OG1-ND2 2.92Å; T183-N192 VanDerWaalsContact OG1-ND2 3.15Å; T183-F223 HydrophobicContact CG2-CD2 4.13Å; T183-F223 HydrophobicContact CG2-CE2 3.81Å; T183-S228 WeakPolarHBondContact CG2-OG 3.43Å |
| 184 | Y | 84.2 | Confident | 81.4 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 107.7 | -176.1 | 180 | -121.1 | 0 | 0 | 0 | 112.8 | F62 L117 G186 R188 K226 K227 | F62-Y184 HydrophobicContact CB-CE1 4.22Å; F62-Y184 HydrophobicContact CD1-CD1 4.23Å; F62-Y184 AromaticContact CD2-CD1 3.45Å; F62-Y184 HydrophobicContact CD2-CD1 3.45Å; F62-Y184 VanDerWaalsContact CD2-CD1 3.45Å; F62-Y184 AromaticContact CD2-CE1 3.6Å; F62-Y184 HydrophobicContact CD2-CE1 3.6Å; F62-Y184 HydrophobicContact CD2-CG 4.37Å; F62-Y184 HydrophobicContact CE1-CD1 4.26Å; F62-Y184 AromaticContact CE2-CD1 3.46Å; F62-Y184 HydrophobicContact CE2-CD1 3.46Å; F62-Y184 VanDerWaalsContact CE2-CD1 3.46Å; F62-Y184 HydrophobicContact CE2-CE1 4.1Å; F62-Y184 HydrophobicContact CE2-CG 4.03Å; F62-Y184 AromaticContact CG-CD1 3.85Å; F62-Y184 HydrophobicContact CG-CD1 3.85Å; F62-Y184 AromaticContact CG-CE1 3.87Å; F62-Y184 HydrophobicContact CG-CE1 3.87Å; F62-Y184 AromaticContact CZ-CD1 3.88Å; F62-Y184 HydrophobicContact CZ-CD1 3.88Å; F62-Y184 HydrophobicContact CZ-CG 4.44Å; L117-Y184 HydrophobicContact CD1-CD2 4.12Å; L117-Y184 HydrophobicContact CD1-CE2 3.4Å; L117-Y184 VanDerWaalsContact CD1-CE2 3.4Å; Y184-G186 VanDerWaalsContact C-N 3.3Å; Y184-G186 VanDerWaalsContact CZ-C 3.47Å; Y184-G186 PolarHBondContact O-N 2.86Å; Y184-G186 VanDerWaalsContact OH-C 3.28Å; Y184-G186 PolarHBondContact OH-O 3.36Å; Y184-R188 WeakPolarHBondContact CD2-O 3.47Å; Y184-K226 VanDerWaalsContact O-O 3.05Å; Y184-K227 HydrophobicContact CD1-CB 4.38Å; Y184-K227 HydrophobicContact CD1-CD 3.8Å; Y184-K227 HydrophobicContact CE1-CD 4.27Å; Y184-K227 VanDerWaalsContact O-CB 3.31Å; Y184-K227 WeakPolarHBondContact O-CB 3.29Å |
| 185 | N | 76.5 | Confident | 81.8 | Confident | 97 Ų | 97 | 52.5 Ų | 52.5 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | trans | -84.8 | 3 | -177.7 | 63.1 | 28.1 | 0 | 0 | 0 | 114.4 | K187 R188 | N185-K187 PolarHBondContact OD1-N 3.37Å; N185-K187 VanDerWaalsContact OD1-N 3.1Å; N185-R188 PolarHBondContact N-O 2.87Å; N185-R188 VanDerWaalsContact N-O 3.12Å; N185-R188 PolarHBondContact OD1-N 2.62Å; N185-R188 PolarHBondContact OD1-O 3.19Å | ||
| 186 | G | 68.4 | Low | 82.8 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 100.5 | -16.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y184 | Y184-G186 VanDerWaalsContact C-N 3.3Å; Y184-G186 VanDerWaalsContact CZ-C 3.47Å; Y184-G186 PolarHBondContact O-N 2.86Å; Y184-G186 VanDerWaalsContact OH-C 3.28Å; Y184-G186 PolarHBondContact OH-O 3.36Å |
| 187 | K | 69.9 | Low | 83 | Confident | 178 Ų | 178 | 43.2 Ų | 43.2 | 77% | 0.774 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -121.2 | -31.6 | 171 | -66.4 | -176.7 | 179.8 | -180 | 0 | 112 | N185 | N185-K187 PolarHBondContact OD1-N 3.37Å; N185-K187 VanDerWaalsContact OD1-N 3.1Å |
| 188 | R | 77.5 | Confident | 82.4 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 25% | 0.253 | 24% | 0.244 | S | C | . | . | trans | -135.2 | 140.9 | -170 | -173.3 | 172.2 | 162.2 | 161.5 | -4.6 | 111.7 | N44 R114 Y184 N185 D190 | N44-R188 PolarHBondContact OD1-NH2 3.33Å; R114-R188 HydrophobicContact CB-CG 4.41Å; R114-R188 VanDerWaalsContact NH1-NH2 3.17Å; R114-R188 WeakPolarHBondContact O-CA 3.44Å; Y184-R188 WeakPolarHBondContact CD2-O 3.47Å; N185-R188 PolarHBondContact N-O 2.87Å; N185-R188 VanDerWaalsContact N-O 3.12Å; N185-R188 PolarHBondContact OD1-N 2.62Å; N185-R188 PolarHBondContact OD1-O 3.19Å; R188-D190 IonicContact CZ-OD1 3.85Å; R188-D190 VanDerWaalsContact CZ-OD1 3.28Å; R188-D190 IonicContact NE-OD1 3.06Å; R188-D190 PolarHBondContact NE-OD1 2.93Å; R188-D190 IonicContact NE-OD2 3.9Å; R188-D190 IonicContact NH2-OD1 3.28Å; R188-D190 PolarHBondContact NH2-OD1 3.39Å | ||
| 189 | L | 81.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.6 | 170.3 | -174.1 | 67.3 | 0 | 0 | 0 | 108.2 | V48 T52 L65 R114 T183 | V48-L189 HydrophobicContact CB-CD2 4.28Å; V48-L189 HydrophobicContact CG1-CD2 3.31Å; V48-L189 HydrophobicContact CG1-CG 4.34Å; V48-L189 HydrophobicContact CG2-CB 4.46Å; V48-L189 HydrophobicContact CG2-CD2 3.91Å; T52-L189 HydrophobicContact CG2-CD1 4.47Å; T52-L189 HydrophobicContact CG2-CD2 3.86Å; L65-L189 HydrophobicContact CD1-CD1 3.89Å; L65-L189 HydrophobicContact CD2-CD1 3.64Å; L65-L189 HydrophobicContact CG-CD1 4.46Å; R114-L189 WeakPolarHBondContact CD-O 3.42Å; R114-L189 WeakPolarHBondContact CG-O 3.47Å; R114-L189 PolarHBondContact O-N 3.24Å; T183-L189 WeakPolarHBondContact O-CA 3.46Å; T183-L189 WeakPolarHBondContact O-CD1 3.31Å |
| 190 | D | 81.8 | Confident | 80.3 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.1 | -176.1 | -70.9 | -53.4 | 0 | 0 | 0 | 110.7 | R114 S182 T183 R188 | R114-D190 IonicContact NH1-OD1 2.84Å; S182-D190 CarbonylContact C-O 3.58Å; S182-D190 WeakPolarHBondContact CA-O 3.23Å; T183-D190 PolarHBondContact N-O 2.92Å; T183-D190 PolarHBondContact O-N 3.24Å; T183-D190 PolarHBondContact OG1-O 2.9Å; R188-D190 IonicContact CZ-OD1 3.85Å; R188-D190 VanDerWaalsContact CZ-OD1 3.28Å; R188-D190 IonicContact NE-OD1 3.06Å; R188-D190 PolarHBondContact NE-OD1 2.93Å; R188-D190 IonicContact NE-OD2 3.9Å; R188-D190 IonicContact NH2-OD1 3.28Å; R188-D190 PolarHBondContact NH2-OD1 3.39Å |
| 191 | E | 85 | Confident | 79.6 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 111 | 177.5 | -57.8 | -64.7 | 173 | 0 | 0 | 109 | M49 S182 | M49-E191 WeakPolarHBondContact CB-OE1 3.17Å; M49-E191 HydrophobicContact CE-CB 4.16Å; M49-E191 HydrophobicContact CE-CG 4.13Å; M49-E191 HydrophobicContact CG-CG 3.92Å; M49-E191 WeakPolarHBondContact CG-OE1 3.42Å; M49-E191 PolarHBondContact N-OE1 2.99Å; M49-E191 HydrophobicContact SD-CG 4.43Å; S182-E191 VanDerWaalsContact CA-OE2 3.27Å; S182-E191 WeakPolarHBondContact CA-OE2 3.43Å; S182-E191 VanDerWaalsContact CB-OE2 3.25Å; S182-E191 WeakPolarHBondContact CB-OE2 3.3Å; S182-E191 PolarHBondContact N-OE2 3.2Å; S182-E191 VanDerWaalsContact OG-CD 3.28Å; S182-E191 PolarHBondContact OG-OE1 2.82Å; S182-E191 PolarHBondContact OG-OE2 3.09Å |
| 192 | N | 85.7 | Confident | 78.7 | Confident | 30 Ų | 30 | 43.7 Ų | 43.7 | 16% | 0.16 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.8 | -170.6 | -61.6 | -6.6 | 0 | 0 | 0 | 110.2 | F180 V181 T183 F223 | F180-N192 CarbonylContact C-O 3.55Å; F180-N192 VanDerWaalsContact CA-O 3.23Å; F180-N192 WeakPolarHBondContact CA-O 3.44Å; V181-N192 HydrophobicContact CG1-CB 4.43Å; V181-N192 PolarHBondContact N-O 2.89Å; V181-N192 PolarHBondContact O-N 2.66Å; T183-N192 WeakPolarHBondContact CG2-ND2 3.44Å; T183-N192 PolarHBondContact OG1-ND2 2.92Å; T183-N192 VanDerWaalsContact OG1-ND2 3.15Å; N192-F223 HydrophobicContact CB-CD1 4.31Å; N192-F223 HydrophobicContact CB-CE1 3.76Å; N192-F223 HydrophobicContact CB-CE2 4.04Å; N192-F223 HydrophobicContact CB-CZ 3.6Å; N192-F223 WeakPolarHBondContact ND2-CD2 3.26Å; N192-F223 WeakPolarHBondContact ND2-CE2 3.41Å; N192-F223 VanDerWaalsContact ND2-CG 3.32Å; N192-F223 WeakPolarHBondContact ND2-CG 3.27Å |
| 193 | A | 86.7 | Confident | 77.5 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 60% | 0.595 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 136 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | C179 F180 | C179-A193 WeakPolarHBondContact O-CA 3.43Å; F180-A193 HydrophobicContact CD1-CB 4.02Å; F180-A193 HydrophobicContact CE1-CB 3.85Å |
| 194 | V | 87.3 | Confident | 76.1 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.5 | 179.9 | -64.7 | 0 | 0 | 0 | 0 | 111 | C179 V181 M196 F223 L233 | C179-V194 HydrophobicContact CB-CG2 3.88Å; C179-V194 PolarHBondContact O-N 3.39Å; V181-V194 HydrophobicContact CB-CG1 4.29Å; V181-V194 HydrophobicContact CG1-CG1 3.55Å; V194-M196 HydrophobicContact CG2-SD 4.4Å; V194-F223 HydrophobicContact CG1-CZ 4.29Å; V194-L233 HydrophobicContact CG2-CD1 3.62Å |
| 195 | K | 83.7 | Confident | 74.6 | Confident | 139 Ų | 139 | 52.7 Ų | 52.7 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.3 | 174.6 | -67.1 | 175.4 | -172.6 | 159.8 | 0 | 109.3 | S218 H219 D221 | K195-S218 CarbonylContact O-C 3.44Å; K195-S218 WeakPolarHBondContact O-CA 2.95Å; K195-S218 WeakPolarHBondContact O-CB 3.37Å; K195-H219 HydrophobicContact CB-CB 4.5Å; K195-H219 PolarHBondContact O-N 3.43Å; K195-D221 IonicContact NZ-OD2 2.89Å; K195-D221 PolarHBondContact NZ-OD2 2.85Å |
| 196 | M | 84.7 | Confident | 73.7 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 13% | 0.128 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 150.2 | 176.5 | -60.6 | -53.8 | -68.3 | 0 | 0 | 110.8 | P173 C179 V194 A200 L216 C217 L233 | P173-M196 HydrophobicContact CG-CE 4.13Å; P173-M196 HydrophobicContact CG-CG 4.24Å; C179-M196 HydrophobicContact CB-CG 4.41Å; C179-M196 HydrophobicContact CB-SD 4.43Å; V194-M196 HydrophobicContact CG2-SD 4.4Å; M196-A200 HydrophobicContact CB-CB 4.34Å; M196-A200 HydrophobicContact CE-CB 3.78Å; M196-L216 HydrophobicContact CE-CB 4.12Å; M196-C217 WeakPolarHBondContact CE-O 3.38Å; M196-L233 HydrophobicContact CE-CD2 3.78Å; M196-L233 HydrophobicContact SD-CD1 4.12Å; M196-L233 HydrophobicContact SD-CD2 4.06Å |
| 197 | V | 75.3 | Confident | 73.4 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 149.6 | 168.5 | 172.8 | 0 | 0 | 0 | 0 | 108.6 | G199 A200 F204 C217 F264 | V197-G199 PolarHBondContact O-N 2.85Å; V197-A200 VanDerWaalsContact O-CA 3.27Å; V197-A200 WeakPolarHBondContact O-CA 3.38Å; V197-A200 PolarHBondContact O-N 3.1Å; V197-F204 HydrophobicContact CB-CZ 4.02Å; V197-F204 HydrophobicContact CG1-CE1 3.59Å; V197-F204 HydrophobicContact CG1-CE2 4.35Å; V197-F204 HydrophobicContact CG1-CZ 3.3Å; V197-F204 HydrophobicContact CG2-CE2 4.28Å; V197-F204 HydrophobicContact CG2-CZ 3.62Å; V197-C217 HydrophobicContact CB-CB 4.39Å; V197-C217 HydrophobicContact CG2-CB 3.85Å; V197-C217 WeakPolarHBondContact CG2-O 3.4Å; V197-C217 PolarHBondContact N-O 2.86Å; V197-F264 HydrophobicContact CG2-CD1 3.86Å; V197-F264 HydrophobicContact CG2-CE1 3.82Å |
| 198 | P | 64.9 | Low | 72.9 | Confident | 98 Ų | 98 | 45.9 Ų | 45.9 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -50.7 | 122.7 | 173.9 | -28 | 35.7 | 0 | 0 | 0 | 112.5 | A200 | P198-A200 PolarHBondContact O-N 3.38Å |
| 199 | G | 66.4 | Low | 72.2 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 43% | 0.433 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.9 | -5.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | N175 V197 V201 | N175-G199 PolarHBondContact OD1-N 3.22Å; V197-G199 PolarHBondContact O-N 2.85Å; G199-V201 PolarHBondContact O-N 3.31Å |
| 200 | A | 69.3 | Low | 71.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59 | -13.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | V172 P173 M196 V197 P198 L216 C217 | V172-A200 HydrophobicContact CB-CB 4.25Å; V172-A200 HydrophobicContact CG1-CB 4.3Å; P173-A200 HydrophobicContact CG-CB 3.87Å; M196-A200 HydrophobicContact CB-CB 4.34Å; M196-A200 HydrophobicContact CE-CB 3.78Å; V197-A200 VanDerWaalsContact O-CA 3.27Å; V197-A200 WeakPolarHBondContact O-CA 3.38Å; V197-A200 PolarHBondContact O-N 3.1Å; P198-A200 PolarHBondContact O-N 3.38Å; A200-L216 CarbonylContact O-C 3.47Å; A200-L216 WeakPolarHBondContact O-CA 3.29Å; A200-L216 WeakPolarHBondContact O-CB 3.43Å; A200-L216 WeakPolarHBondContact O-CD2 3.29Å; A200-C217 PolarHBondContact O-N 3.12Å |
| 201 | V | 75 | Confident | 70.9 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 28% | 0.279 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 138.6 | 179.2 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | V172 G199 N203 L216 | V172-V201 HydrophobicContact CG1-CG2 3.86Å; G199-V201 PolarHBondContact O-N 3.31Å; V201-N203 HydrophobicContact CG1-CB 4.22Å; V201-N203 PolarHBondContact O-N 3.4Å; V201-N203 PolarHBondContact O-OD1 3.32Å; V201-L216 HydrophobicContact CG2-CD2 4.41Å |
| 202 | C | 73.4 | Confident | 70 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | trans | -75.9 | 66.2 | 171.4 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | G215 L216 C217 F266 | C202-G215 PolarHBondContact N-O 3.38Å; C202-L216 PolarHBondContact SG-O 2.98Å; C202-C217 HydrophobicContact CB-CB 4.07Å; C202-C217 WeakPolarHBondContact CB-SG 3.12Å; C202-C217 WeakPolarHBondContact SG-CA 3.14Å; C202-C217 WeakPolarHBondContact SG-CB 3.4Å; C202-C217 PolarHBondContact SG-N 3.44Å; C202-C217 CovalentContact SG-SG 2.01Å; C202-C217 PolarHBondContact SG-SG 3.13Å; C202-F266 HydrophobicContact CB-CD2 4.02Å; C202-F266 HydrophobicContact CB-CE2 3.91Å; C202-F266 WeakPolarHBondContact SG-CD2 3.22Å | ||
| 203 | N | 64.8 | Low | 69.4 | Low | 106 Ų | 106 | 51.8 Ų | 51.8 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | trans | -105.5 | 38.4 | 178.1 | 67.4 | -7 | 0 | 0 | 0 | 112.5 | V201 | V201-N203 HydrophobicContact CG1-CB 4.22Å; V201-N203 PolarHBondContact O-N 3.4Å; V201-N203 PolarHBondContact O-OD1 3.32Å | ||
| 204 | F | 56.9 | Low | 69 | Low | 41 Ų | 41 | 51.7 Ų | 51.7 | 18% | 0.18 | 28% | 0.281 | C | S | . | . | trans | -74.3 | 138.4 | 177.9 | -56.8 | -66.9 | 0 | 0 | 0 | 111.4 | V197 H206 F207 C217 F264 | V197-F204 HydrophobicContact CB-CZ 4.02Å; V197-F204 HydrophobicContact CG1-CE1 3.59Å; V197-F204 HydrophobicContact CG1-CE2 4.35Å; V197-F204 HydrophobicContact CG1-CZ 3.3Å; V197-F204 HydrophobicContact CG2-CE2 4.28Å; V197-F204 HydrophobicContact CG2-CZ 3.62Å; F204-H206 HydrophobicContact CB-CB 4.47Å; F204-H206 PolarHBondContact O-N 3.49Å; F204-F207 HydrophobicContact CB-CD2 4.21Å; F204-F207 HydrophobicContact CD2-CD2 4.14Å; F204-F207 CarbonylContact O-C 3.49Å; F204-F207 PolarHBondContact O-N 3.37Å; F204-C217 HydrophobicContact CE2-CB 3.81Å; F204-C217 HydrophobicContact CZ-CB 4.44Å; F204-F264 HydrophobicContact CE1-CE1 4.49Å; F204-F264 HydrophobicContact CE2-CD1 4.07Å; F204-F264 HydrophobicContact CE2-CE1 4.19Å; F204-F264 HydrophobicContact CE2-CG 4.3Å; F204-F264 HydrophobicContact CZ-CD1 4Å; F204-F264 AromaticContact CZ-CE1 3.69Å; F204-F264 HydrophobicContact CZ-CE1 3.69Å; F204-F264 HydrophobicContact CZ-CZ 4.04Å | ||
| 205 | S | 52.8 | Low | 69 | Low | 73 Ų | 73 | 51.1 Ų | 51.1 | 51% | 0.51 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -22.2 | 169.5 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 206 | H | 57.4 | Low | 69.3 | Low | 108 Ų | 108 | 44.5 Ų | 44.5 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21.7 | 176.7 | -57.8 | 132.7 | 0 | 0 | 0 | 114.9 | F204 P208 | F204-H206 HydrophobicContact CB-CB 4.47Å; F204-H206 PolarHBondContact O-N 3.49Å; H206-P208 VanDerWaalsContact C-CD 3.43Å |
| 207 | F | 60.8 | Low | 69.4 | Low | 24 Ų | 24 | 43.2 Ų | 43.2 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | trans | -130.8 | 57.4 | -178.6 | -53.7 | -73.3 | 0 | 0 | 0 | 112 | F204 E209 L210 L251 A252 T253 F264 | F204-F207 HydrophobicContact CB-CD2 4.21Å; F204-F207 HydrophobicContact CD2-CD2 4.14Å; F204-F207 CarbonylContact O-C 3.49Å; F204-F207 PolarHBondContact O-N 3.37Å; F207-E209 PolarHBondContact O-N 2.87Å; F207-E209 VanDerWaalsContact O-N 3.15Å; F207-L210 HydrophobicContact CB-CB 4.47Å; F207-L210 HydrophobicContact CB-CD1 3.65Å; F207-L210 HydrophobicContact CB-CG 4.07Å; F207-L210 HydrophobicContact CG-CD1 4.21Å; F207-L210 WeakPolarHBondContact O-CB 3.23Å; F207-L210 PolarHBondContact O-N 3.35Å; F207-L251 HydrophobicContact CD1-CD1 4.49Å; F207-L251 HydrophobicContact CD1-CD2 4.37Å; F207-L251 HydrophobicContact CD2-CD1 4.12Å; F207-L251 HydrophobicContact CE1-CB 4.1Å; F207-L251 HydrophobicContact CE1-CD2 4.3Å; F207-L251 HydrophobicContact CE2-CB 4.11Å; F207-L251 HydrophobicContact CE2-CD1 4.23Å; F207-L251 HydrophobicContact CG-CD1 4.26Å; F207-L251 HydrophobicContact CZ-CB 3.76Å; F207-L251 HydrophobicContact CZ-CD1 4.48Å; F207-A252 WeakPolarHBondContact CZ-O 3.37Å; F207-T253 HydrophobicContact CE2-CG2 4.38Å; F207-T253 HydrophobicContact CZ-CG2 4.49Å; F207-F264 HydrophobicContact CE2-CD2 4.44Å | ||
| 208 | P | 60.8 | Low | 70 | Confident | 28 Ų | 28 | 43 Ų | 43 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -63.4 | -24.9 | -173.5 | 25.4 | -32.7 | 0 | 0 | 0 | 112.9 | H206 L210 T211 Q1054 | H206-P208 VanDerWaalsContact C-CD 3.43Å; P208-L210 PolarHBondContact O-N 2.84Å; P208-L210 VanDerWaalsContact O-N 3.15Å; P208-T211 PolarHBondContact O-N 2.99Å; P208-T211 PolarHBondContact O-OG1 2.82Å; P208-Q1054 HydrophobicContact CB-CB 4.36Å; P208-Q1054 HydrophobicContact CB-CG 4.16Å; P208-Q1054 HydrophobicContact CG-CB 4.19Å; P208-Q1054 HydrophobicContact CG-CG 3.6Å |
| 209 | E | 62.7 | Low | 70.7 | Confident | 94 Ų | 94 | 41 Ų | 41 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -60.9 | -22.6 | 175.3 | -56.8 | 145.9 | -175.8 | 0 | 0 | 112.5 | V138 F207 | V138-E209 WeakPolarHBondContact CB-OE2 3.47Å; V138-E209 HydrophobicContact CG2-CB 4.02Å; V138-E209 HydrophobicContact CG2-CG 3.53Å; V138-E209 WeakPolarHBondContact CG2-OE1 3.18Å; V138-E209 WeakPolarHBondContact CG2-OE2 3.44Å; F207-E209 PolarHBondContact O-N 2.87Å; F207-E209 VanDerWaalsContact O-N 3.15Å |
| 210 | L | 69.3 | Low | 70.9 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -92.1 | -12.4 | -177.6 | -55.9 | 178.3 | 0 | 0 | 0 | 112.9 | A137 I142 F207 P208 K212 T213 L251 F266 | A137-L210 HydrophobicContact CB-CD2 4.18Å; I142-L210 HydrophobicContact CD1-CD1 4.45Å; I142-L210 HydrophobicContact CD1-CD2 3.96Å; I142-L210 HydrophobicContact CG2-CD2 3.91Å; F207-L210 HydrophobicContact CB-CB 4.47Å; F207-L210 HydrophobicContact CB-CD1 3.65Å; F207-L210 HydrophobicContact CB-CG 4.07Å; F207-L210 HydrophobicContact CG-CD1 4.21Å; F207-L210 WeakPolarHBondContact O-CB 3.23Å; F207-L210 PolarHBondContact O-N 3.35Å; P208-L210 PolarHBondContact O-N 2.84Å; P208-L210 VanDerWaalsContact O-N 3.15Å; L210-K212 PolarHBondContact O-N 3.03Å; L210-K212 VanDerWaalsContact O-N 3.14Å; L210-T213 WeakPolarHBondContact O-CB 3.36Å; L210-T213 PolarHBondContact O-N 3.06Å; L210-T213 PolarHBondContact O-OG1 3.35Å; L210-L251 HydrophobicContact CD1-CD1 3.54Å; L210-L251 HydrophobicContact CD1-CD2 4.07Å; L210-L251 HydrophobicContact CD1-CG 4.46Å; L210-F266 HydrophobicContact CB-CE2 3.94Å; L210-F266 HydrophobicContact CD1-CD2 3.62Å; L210-F266 HydrophobicContact CD1-CE2 3.76Å; L210-F266 HydrophobicContact CD1-CG 4.4Å; L210-F266 HydrophobicContact CD2-CD2 4.44Å; L210-F266 HydrophobicContact CD2-CE2 3.99Å; L210-F266 HydrophobicContact CD2-CZ 4.08Å; L210-F266 HydrophobicContact CG-CD2 4.45Å; L210-F266 HydrophobicContact CG-CE2 4.11Å |
| 211 | T | 66.3 | Low | 70.6 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -60.2 | -30.5 | -176.4 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | P208 T213 | P208-T211 PolarHBondContact O-N 2.99Å; P208-T211 PolarHBondContact O-OG1 2.82Å; T211-T213 VanDerWaalsContact C-N 3.33Å; T211-T213 PolarHBondContact O-N 2.7Å |
| 212 | K | 65.4 | Low | 69.8 | Low | 113 Ų | 113 | 48.1 Ų | 48.1 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -83.9 | -3.5 | 179.7 | -60.3 | -174.4 | -176.1 | -177.5 | 0 | 114.6 | L210 H1064 | L210-K212 PolarHBondContact O-N 3.03Å; L210-K212 VanDerWaalsContact O-N 3.14Å; K212-H1064 PolarHBondContact NZ-CE1 3.48Å; K212-H1064 PolarHBondContact NZ-NE2 3.4Å; K212-H1064 VanDerWaalsContact NZ-NE2 3.16Å |
| 213 | T | 73 | Confident | 69.1 | Low | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -91.5 | -10.3 | -175 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | Y135 L210 T211 G215 F266 | Y135-T213 HydrophobicContact CD1-CG2 3.7Å; Y135-T213 HydrophobicContact CD2-CG2 4.21Å; Y135-T213 HydrophobicContact CE1-CG2 4.34Å; Y135-T213 WeakPolarHBondContact CE1-O 3.32Å; Y135-T213 HydrophobicContact CG-CG2 3.65Å; L210-T213 WeakPolarHBondContact O-CB 3.36Å; L210-T213 PolarHBondContact O-N 3.06Å; L210-T213 PolarHBondContact O-OG1 3.35Å; T211-T213 VanDerWaalsContact C-N 3.33Å; T211-T213 PolarHBondContact O-N 2.7Å; T213-G215 PolarHBondContact O-N 2.69Å; T213-G215 VanDerWaalsContact O-N 3.1Å; T213-G215 PolarHBondContact OG1-N 3.37Å; T213-G215 VanDerWaalsContact OG1-N 3.14Å; T213-F266 WeakPolarHBondContact OG1-CZ 3.38Å |
| 214 | N | 77.8 | Confident | 68.8 | Low | 70 Ų | 70 | 51.8 Ų | 51.8 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 23 | -165.8 | -60.6 | -11 | 0 | 0 | 0 | 112.8 | Y170 H269 | Y170-N214 HydrophobicContact CD1-CB 3.86Å; Y170-N214 HydrophobicContact CE1-CB 3.94Å; Y170-N214 WeakPolarHBondContact CE1-ND2 3.42Å; N214-H269 WeakPolarHBondContact O-CB 3.33Å |
| 215 | G | 87.8 | Confident | 68.8 | Low | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | trans | -67.3 | 154.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C202 T213 Y267 | C202-G215 PolarHBondContact N-O 3.38Å; T213-G215 PolarHBondContact O-N 2.69Å; T213-G215 VanDerWaalsContact O-N 3.1Å; T213-G215 PolarHBondContact OG1-N 3.37Å; T213-G215 VanDerWaalsContact OG1-N 3.14Å; G215-Y267 CarbonylContact C-O 3.49Å; G215-Y267 WeakPolarHBondContact CA-O 3.11Å | ||
| 216 | L | 90.1 | Very high | 69.3 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 148.4 | -177.4 | -50.7 | 180 | 0 | 0 | 0 | 111.1 | V172 M196 A200 V201 C202 L233 Y267 | V172-L216 HydrophobicContact CG1-CD2 3.43Å; V172-L216 VanDerWaalsContact CG1-CD2 3.43Å; M196-L216 HydrophobicContact CE-CB 4.12Å; A200-L216 CarbonylContact O-C 3.47Å; A200-L216 WeakPolarHBondContact O-CA 3.29Å; A200-L216 WeakPolarHBondContact O-CB 3.43Å; A200-L216 WeakPolarHBondContact O-CD2 3.29Å; V201-L216 HydrophobicContact CG2-CD2 4.41Å; C202-L216 PolarHBondContact SG-O 2.98Å; L216-L233 HydrophobicContact CB-CD2 4.4Å; L216-L233 HydrophobicContact CD1-CD2 4.15Å; L216-Y267 PolarHBondContact N-O 3.25Å; L216-Y267 VanDerWaalsContact O-CD2 3.32Å; L216-Y267 WeakPolarHBondContact O-CD2 3.32Å; L216-Y267 PolarHBondContact O-N 2.91Å |
| 217 | C | 87.4 | Confident | 70.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.2 | -176.1 | -85.7 | 0 | 0 | 0 | 0 | 112.3 | M196 V197 A200 C202 F204 H265 | M196-C217 WeakPolarHBondContact CE-O 3.38Å; V197-C217 HydrophobicContact CB-CB 4.39Å; V197-C217 HydrophobicContact CG2-CB 3.85Å; V197-C217 WeakPolarHBondContact CG2-O 3.4Å; V197-C217 PolarHBondContact N-O 2.86Å; A200-C217 PolarHBondContact O-N 3.12Å; C202-C217 HydrophobicContact CB-CB 4.07Å; C202-C217 WeakPolarHBondContact CB-SG 3.12Å; C202-C217 WeakPolarHBondContact SG-CA 3.14Å; C202-C217 WeakPolarHBondContact SG-CB 3.4Å; C202-C217 PolarHBondContact SG-N 3.44Å; C202-C217 CovalentContact SG-SG 2.01Å; C202-C217 PolarHBondContact SG-SG 3.13Å; F204-C217 HydrophobicContact CE2-CB 3.81Å; F204-C217 HydrophobicContact CZ-CB 4.44Å; C217-H265 VanDerWaalsContact CA-O 3.32Å; C217-H265 WeakPolarHBondContact CA-O 3.22Å |
| 218 | S | 87.3 | Confident | 71.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 152.7 | 170.7 | 77.7 | 0 | 0 | 0 | 0 | 111.5 | K195 F264 H265 Y267 | K195-S218 CarbonylContact O-C 3.44Å; K195-S218 WeakPolarHBondContact O-CA 2.95Å; K195-S218 WeakPolarHBondContact O-CB 3.37Å; S218-F264 WeakPolarHBondContact O-CA 3.43Å; S218-H265 PolarHBondContact N-O 2.76Å; S218-H265 VanDerWaalsContact N-O 3.17Å; S218-H265 PolarHBondContact O-N 3.39Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.45Å; S218-Y267 PolarHBondContact OG-OH 2.94Å |
| 219 | H | 80.9 | Confident | 73.1 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 27% | 0.269 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 156.4 | 168.1 | -66.5 | 97.5 | 0 | 0 | 0 | 110.9 | K195 F264 | K195-H219 HydrophobicContact CB-CB 4.5Å; K195-H219 PolarHBondContact O-N 3.43Å; H219-F264 AromaticContact CD2-CE1 3.52Å; H219-F264 AromaticContact NE2-CE1 3.47Å; H219-F264 WeakPolarHBondContact NE2-CE1 3.41Å |
| 220 | H | 69.3 | Low | 74.7 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 18% | 0.181 | 25% | 0.253 | C | S | . | . | trans | -131.2 | 104.8 | -174.1 | -173.7 | -89.4 | 0 | 0 | 0 | 112.5 | F223 V263 H265 | H220-F223 AromaticContact CD2-CZ 3.9Å; H220-F223 PolarHBondContact CE1-N 2.87Å; H220-F223 PolarHBondContact CE1-O 3.06Å; H220-F223 AromaticContact NE2-CD1 3.88Å; H220-F223 AromaticContact NE2-CD2 3.53Å; H220-F223 AromaticContact NE2-CE1 3.94Å; H220-F223 AromaticContact NE2-CE2 3.6Å; H220-F223 AromaticContact NE2-CG 3.69Å; H220-F223 AromaticContact NE2-CZ 3.82Å; H220-F223 PolarHBondContact NE2-O 3.26Å; H220-V263 HydrophobicContact CB-CB 4.44Å; H220-V263 HydrophobicContact CB-CG1 4.35Å; H220-V263 WeakPolarHBondContact CB-O 3.45Å; H220-V263 PolarHBondContact N-O 3.19Å; H220-H265 AromaticContact CD2-CD2 3.97Å; H220-H265 AromaticContact CD2-CE1 3.04Å; H220-H265 PolarHBondContact CD2-CE1 2.82Å; H220-H265 AromaticContact CD2-ND1 3.75Å; H220-H265 AromaticContact CD2-NE2 3.23Å; H220-H265 PolarHBondContact CD2-NE2 3.06Å; H220-H265 AromaticContact CG-CE1 3.91Å; H220-H265 AromaticContact CG-NE2 3.66Å; H220-H265 AromaticContact NE2-CE1 3.6Å; H220-H265 AromaticContact NE2-NE2 3.79Å | ||
| 221 | D | 62.3 | Low | 75.9 | Confident | 116 Ų | 116 | 47.6 Ų | 47.6 | 62% | 0.62 | 25% | 0.252 | S | S | * | . | trans | -110.1 | 88.5 | 178 | -60.4 | -24.2 | 0 | 0 | 0 | 109.8 | K195 | K195-D221 IonicContact NZ-OD2 2.89Å; K195-D221 PolarHBondContact NZ-OD2 2.85Å | ||
| 222 | G | 58.7 | Low | 77.3 | Confident | 82 Ų | 82 | 45.5 Ų | 45.5 | 85% | 0.845 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 99.2 | 9.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||
| 223 | F | 60.1 | Low | 78.7 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | trans | -128.4 | 131.1 | 173.5 | 59.4 | -93.1 | 0 | 0 | 0 | 114.4 | V181 T183 N192 V194 H220 A225 | V181-F223 HydrophobicContact CG1-CE2 4.46Å; V181-F223 HydrophobicContact CG1-CZ 4.28Å; T183-F223 HydrophobicContact CG2-CD2 4.13Å; T183-F223 HydrophobicContact CG2-CE2 3.81Å; N192-F223 HydrophobicContact CB-CD1 4.31Å; N192-F223 HydrophobicContact CB-CE1 3.76Å; N192-F223 HydrophobicContact CB-CE2 4.04Å; N192-F223 HydrophobicContact CB-CZ 3.6Å; N192-F223 WeakPolarHBondContact ND2-CD2 3.26Å; N192-F223 WeakPolarHBondContact ND2-CE2 3.41Å; N192-F223 VanDerWaalsContact ND2-CG 3.32Å; N192-F223 WeakPolarHBondContact ND2-CG 3.27Å; V194-F223 HydrophobicContact CG1-CZ 4.29Å; H220-F223 AromaticContact CD2-CZ 3.9Å; H220-F223 PolarHBondContact CE1-N 2.87Å; H220-F223 PolarHBondContact CE1-O 3.06Å; H220-F223 AromaticContact NE2-CD1 3.88Å; H220-F223 AromaticContact NE2-CD2 3.53Å; H220-F223 AromaticContact NE2-CE1 3.94Å; H220-F223 AromaticContact NE2-CE2 3.6Å; H220-F223 AromaticContact NE2-CG 3.69Å; H220-F223 AromaticContact NE2-CZ 3.82Å; H220-F223 PolarHBondContact NE2-O 3.26Å; F223-A225 PolarHBondContact O-N 3.27Å; F223-A225 VanDerWaalsContact O-N 3.11Å | ||
| 224 | E | 58.2 | Low | 79.8 | Confident | 137 Ų | 137 | 39.8 Ų | 39.8 | 64% | 0.64 | 21% | 0.214 | S | C | * | . | trans | -66.1 | 119.1 | 178.7 | -71.8 | -173.8 | 138.1 | 0 | 0 | 111.7 | K226 | E224-K226 HydrophobicContact CB-CD 4.37Å; E224-K226 HydrophobicContact CB-CG 4.22Å; E224-K226 PolarHBondContact O-N 2.93Å; E224-K226 WeakPolarHBondContact OE1-CE 3.12Å; E224-K226 IonicContact OE1-NZ 3.57Å; E224-K226 PolarHBondContact OE1-NZ 3.25Å; E224-K226 VanDerWaalsContact OE2-CD 3.29Å; E224-K226 WeakPolarHBondContact OE2-CD 3.23Å; E224-K226 WeakPolarHBondContact OE2-CE 3.42Å; E224-K226 IonicContact OE2-NZ 3.98Å; E224-K226 PolarHBondContact OE2-NZ 2.9Å | ||
| 225 | A | 56.8 | Low | 80.5 | Confident | 17 Ų | 17 | 36.5 Ų | 36.5 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | trans | -69.4 | 26.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F223 K227 S228 Y247 | F223-A225 PolarHBondContact O-N 3.27Å; F223-A225 VanDerWaalsContact O-N 3.11Å; A225-K227 PolarHBondContact O-N 2.91Å; A225-K227 VanDerWaalsContact O-N 3.08Å; A225-S228 WeakPolarHBondContact CA-OG 2.93Å; A225-S228 PolarHBondContact O-N 3.05Å; A225-S228 PolarHBondContact O-OG 3.49Å; A225-Y247 WeakPolarHBondContact CB-OH 3.39Å | ||
| 226 | K | 63.4 | Low | 80.6 | Confident | 129 Ų | 129 | 38 Ų | 38 | 56% | 0.561 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 117.5 | 176.1 | -76.8 | 178.1 | -175.3 | 157.5 | 0 | 107.7 | Y184 E224 | Y184-K226 VanDerWaalsContact O-O 3.05Å; E224-K226 HydrophobicContact CB-CD 4.37Å; E224-K226 HydrophobicContact CB-CG 4.22Å; E224-K226 PolarHBondContact O-N 2.93Å; E224-K226 WeakPolarHBondContact OE1-CE 3.12Å; E224-K226 IonicContact OE1-NZ 3.57Å; E224-K226 PolarHBondContact OE1-NZ 3.25Å; E224-K226 VanDerWaalsContact OE2-CD 3.29Å; E224-K226 WeakPolarHBondContact OE2-CD 3.23Å; E224-K226 WeakPolarHBondContact OE2-CE 3.42Å; E224-K226 IonicContact OE2-NZ 3.98Å; E224-K226 PolarHBondContact OE2-NZ 2.9Å |
| 227 | K | 76.8 | Confident | 80.4 | Confident | 102 Ų | 102 | 40.1 Ų | 40.1 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 27 | 179.6 | -51.9 | 175.3 | -179.7 | 168.4 | 0 | 116.1 | F62 Y184 A225 L229 | F62-K227 HydrophobicContact CD1-CB 4.24Å; F62-K227 HydrophobicContact CD1-CD 4.01Å; F62-K227 HydrophobicContact CD1-CG 4.28Å; F62-K227 HydrophobicContact CE1-CB 3.57Å; F62-K227 HydrophobicContact CE1-CD 4.19Å; F62-K227 HydrophobicContact CE1-CG 4.07Å; F62-K227 HydrophobicContact CZ-CB 4.04Å; F62-K227 WeakPolarHBondContact CZ-O 3.35Å; Y184-K227 HydrophobicContact CD1-CB 4.38Å; Y184-K227 HydrophobicContact CD1-CD 3.8Å; Y184-K227 HydrophobicContact CE1-CD 4.27Å; Y184-K227 VanDerWaalsContact O-CB 3.31Å; Y184-K227 WeakPolarHBondContact O-CB 3.29Å; A225-K227 PolarHBondContact O-N 2.91Å; A225-K227 VanDerWaalsContact O-N 3.08Å; K227-L229 VanDerWaalsContact C-N 3.27Å; K227-L229 PolarHBondContact O-N 3.34Å |
| 228 | S | 89.2 | Confident | 80 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | trans | -83.5 | 3.9 | 170.2 | -44.9 | 0 | 0 | 0 | 0 | 114.1 | T183 A225 G230 S231 Y247 | T183-S228 WeakPolarHBondContact CG2-OG 3.43Å; A225-S228 WeakPolarHBondContact CA-OG 2.93Å; A225-S228 PolarHBondContact O-N 3.05Å; A225-S228 PolarHBondContact O-OG 3.49Å; S228-G230 PolarHBondContact O-N 3.21Å; S228-S231 VanDerWaalsContact O-CB 3.27Å; S228-S231 WeakPolarHBondContact O-CB 3.15Å; S228-S231 PolarHBondContact O-N 2.65Å; S228-S231 VanDerWaalsContact O-N 3.1Å; S228-S231 PolarHBondContact O-OG 3.46Å; S228-Y247 VanDerWaalsContact C-CD1 3.5Å; S228-Y247 WeakPolarHBondContact O-CD1 2.97Å | ||
| 229 | L | 93.2 | Very high | 79.7 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 19% | 0.188 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 127.2 | -177.9 | -175.5 | 66.3 | 0 | 0 | 0 | 110.6 | C64 L65 A88 K227 S231 L248 | C64-L229 WeakPolarHBondContact CA-O 3.31Å; C64-L229 VanDerWaalsContact CB-O 3.24Å; C64-L229 WeakPolarHBondContact CB-O 3.15Å; L65-L229 PolarHBondContact N-O 2.99Å; A88-L229 HydrophobicContact CB-CD1 3.64Å; A88-L229 HydrophobicContact CB-CG 3.83Å; K227-L229 VanDerWaalsContact C-N 3.27Å; K227-L229 PolarHBondContact O-N 3.34Å; L229-S231 VanDerWaalsContact C-N 3.32Å; L229-L248 VanDerWaalsContact CD1-O 3.29Å; L229-L248 WeakPolarHBondContact CD1-O 3.33Å |
| 230 | G | 95 | Very high | 80.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 0.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | L65 S228 Y247 | L65-G230 CarbonylContact C-O 3.45Å; L65-G230 CarbonylContact O-C 3.59Å; L65-G230 WeakPolarHBondContact O-CA 3.46Å; S228-G230 PolarHBondContact O-N 3.21Å; G230-Y247 PolarHBondContact N-O 2.92Å |
| 231 | S | 94.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -62.3 | 142.4 | 179.6 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | L65 S182 S228 L229 V246 Y247 | L65-S231 WeakPolarHBondContact CD1-OG 3.48Å; S182-S231 WeakPolarHBondContact O-CB 3.27Å; S182-S231 PolarHBondContact O-OG 3.11Å; S228-S231 VanDerWaalsContact O-CB 3.27Å; S228-S231 WeakPolarHBondContact O-CB 3.15Å; S228-S231 PolarHBondContact O-N 2.65Å; S228-S231 VanDerWaalsContact O-N 3.1Å; S228-S231 PolarHBondContact O-OG 3.46Å; L229-S231 VanDerWaalsContact C-N 3.32Å; S231-V246 CarbonylContact O-C 3.45Å; S231-V246 WeakPolarHBondContact O-CA 3.22Å; S231-Y247 PolarHBondContact O-N 2.9Å | ||
| 232 | P | 96.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 135.4 | 175.8 | 32.7 | -34.8 | 0 | 0 | 0 | 111.2 | V234 Q243 | P232-V234 HydrophobicContact CB-CG2 3.76Å; P232-V234 HydrophobicContact CG-CG2 4.12Å; P232-Q243 HydrophobicContact CB-CG 3.91Å |
| 233 | L | 95.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 103.5 | 164.8 | 174.8 | 68 | 0 | 0 | 0 | 107.8 | C179 V194 M196 L216 Q243 Y244 G245 Y267 | C179-L233 HydrophobicContact CB-CD1 4.16Å; V194-L233 HydrophobicContact CG2-CD1 3.62Å; M196-L233 HydrophobicContact CE-CD2 3.78Å; M196-L233 HydrophobicContact SD-CD1 4.12Å; M196-L233 HydrophobicContact SD-CD2 4.06Å; L216-L233 HydrophobicContact CB-CD2 4.4Å; L216-L233 HydrophobicContact CD1-CD2 4.15Å; L233-Q243 CarbonylContact O-C 3.52Å; L233-Q243 WeakPolarHBondContact O-CA 3.38Å; L233-Y244 PolarHBondContact O-N 2.8Å; L233-G245 PolarHBondContact N-O 3.28Å; L233-Y267 HydrophobicContact CB-CD1 3.72Å; L233-Y267 HydrophobicContact CB-CE1 4.04Å; L233-Y267 HydrophobicContact CB-CG 4.19Å; L233-Y267 HydrophobicContact CD1-CE1 4.2Å; L233-Y267 HydrophobicContact CD1-CE2 4.47Å; L233-Y267 HydrophobicContact CD2-CD1 4.25Å; L233-Y267 HydrophobicContact CD2-CD2 3.95Å; L233-Y267 HydrophobicContact CD2-CE2 4.37Å; L233-Y267 HydrophobicContact CD2-CG 3.9Å; L233-Y267 HydrophobicContact CG-CD1 4.39Å |
| 234 | V | 94.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.4 | -173.4 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | W51 V164 C179 F180 P232 F236 A241 Y242 Q243 | W51-V234 HydrophobicContact CZ2-CG1 4.02Å; V164-V234 HydrophobicContact CG2-CG1 4.02Å; V164-V234 HydrophobicContact CG2-CG2 4.28Å; C179-V234 CarbonylContact C-O 3.53Å; C179-V234 VanDerWaalsContact CA-O 3.27Å; C179-V234 WeakPolarHBondContact CA-O 3.04Å; F180-V234 PolarHBondContact N-O 3.06Å; F180-V234 PolarHBondContact O-N 3.07Å; P232-V234 HydrophobicContact CB-CG2 3.76Å; P232-V234 HydrophobicContact CG-CG2 4.12Å; V234-F236 HydrophobicContact CG1-CD1 4.35Å; V234-F236 HydrophobicContact CG1-CE1 4.05Å; V234-A241 HydrophobicContact CG1-CB 3.74Å; V234-Y242 CarbonylContact C-O 3.4Å; V234-Y242 WeakPolarHBondContact CA-O 3.44Å; V234-Q243 HydrophobicContact CG2-CB 4.36Å; V234-Q243 HydrophobicContact CG2-CG 4.46Å |
| 235 | C | 93.5 | Very high | 88 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140 | 177.2 | -51.5 | 0 | 0 | 0 | 0 | 110.4 | P173 K178 C179 Y242 Y244 | P173-C235 HydrophobicContact CB-CB 4.36Å; K178-C235 WeakPolarHBondContact O-CA 3.31Å; C179-C235 HydrophobicContact CB-CB 4.09Å; C179-C235 WeakPolarHBondContact CB-SG 3.09Å; C179-C235 WeakPolarHBondContact SG-CB 3.33Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 3.46Å; C235-Y242 PolarHBondContact N-O 3.3Å; C235-Y242 PolarHBondContact O-N 3.21Å; C235-Y244 HydrophobicContact CB-CD2 4.02Å; C235-Y244 HydrophobicContact CB-CE2 4Å |
| 236 | F | 90.4 | Very high | 89.9 | Confident | 32 Ų | 32 | 31.5 Ų | 31.5 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.8 | 178.2 | -61.5 | -12 | 0 | 0 | 0 | 110.1 | L38 S42 M49 W51 K178 F180 V234 K240 A241 | L38-F236 HydrophobicContact CB-CD2 4.34Å; L38-F236 HydrophobicContact CB-CE2 3.98Å; L38-F236 HydrophobicContact CB-CZ 4.23Å; L38-F236 HydrophobicContact CD1-CD1 4.37Å; L38-F236 HydrophobicContact CD1-CG 4.44Å; L38-F236 HydrophobicContact CD2-CE1 4.18Å; L38-F236 HydrophobicContact CD2-CZ 4.21Å; S42-F236 VanDerWaalsContact OG-CE2 3.22Å; S42-F236 WeakPolarHBondContact OG-CE2 3.35Å; M49-F236 HydrophobicContact CE-CE1 4.42Å; M49-F236 HydrophobicContact CE-CZ 4.09Å; W51-F236 HydrophobicContact CZ2-CE1 4.47Å; K178-F236 PolarHBondContact O-N 3.02Å; F180-F236 HydrophobicContact CD2-CE2 4.36Å; F180-F236 HydrophobicContact CD2-CZ 4.28Å; F180-F236 AromaticContact CE2-CD2 3.99Å; F180-F236 HydrophobicContact CE2-CD2 3.99Å; F180-F236 AromaticContact CE2-CE2 3.88Å; F180-F236 HydrophobicContact CE2-CE2 3.88Å; F180-F236 HydrophobicContact CE2-CZ 4.26Å; V234-F236 HydrophobicContact CG1-CD1 4.35Å; V234-F236 HydrophobicContact CG1-CE1 4.05Å; F236-K240 WeakPolarHBondContact CA-O 3.27Å; F236-A241 HydrophobicContact CD1-CB 3.82Å; F236-A241 HydrophobicContact CE1-CB 3.78Å |
| 237 | I | 84.4 | Confident | 91.4 | Very high | 45 Ų | 45 | 26 Ų | 26 | 23% | 0.231 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 120.7 | -175.6 | -57.6 | 176.6 | 0 | 0 | 0 | 107.8 | G239 K240 Y242 Y244 | I237-G239 VanDerWaalsContact C-N 3.25Å; I237-G239 PolarHBondContact O-N 3Å; I237-K240 PolarHBondContact N-O 2.93Å; I237-K240 PolarHBondContact O-N 3.48Å; I237-Y242 HydrophobicContact CB-CD2 4.14Å; I237-Y242 HydrophobicContact CB-CE2 4.42Å; I237-Y244 HydrophobicContact CD1-CE2 3.7Å; I237-Y244 WeakPolarHBondContact CD1-OH 3.42Å |
| 238 | S | 79.1 | Confident | 92.1 | Very high | 126 Ų | 126 | 21.1 Ų | 21.1 | 88% | 0.881 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 43.5 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 113.5 | K240 | S238-K240 VanDerWaalsContact C-N 3.31Å; S238-K240 PolarHBondContact O-N 3.07Å |
| 239 | G | 82.1 | Confident | 92.1 | Very high | 59 Ų | 59 | 21.5 Ų | 21.5 | 61% | 0.608 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 5.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L38 I237 | L38-G239 VanDerWaalsContact CD1-O 3.22Å; L38-G239 WeakPolarHBondContact CD1-O 3.27Å; I237-G239 VanDerWaalsContact C-N 3.25Å; I237-G239 PolarHBondContact O-N 3Å |
| 240 | K | 89.8 | Confident | 91.8 | Very high | 51 Ų | 51 | 24.2 Ų | 24.2 | 22% | 0.222 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151.1 | 174.7 | -69.2 | -167.8 | 178.2 | -169.9 | 0 | 112.4 | S25 G28 F236 I237 S238 Y242 | S25-K240 PolarHBondContact O-NZ 3.16Å; G28-K240 WeakPolarHBondContact O-CA 3.27Å; F236-K240 WeakPolarHBondContact CA-O 3.27Å; I237-K240 PolarHBondContact N-O 2.93Å; I237-K240 PolarHBondContact O-N 3.48Å; S238-K240 VanDerWaalsContact C-N 3.31Å; S238-K240 PolarHBondContact O-N 3.07Å; K240-Y242 HydrophobicContact CB-CD2 4.36Å; K240-Y242 HydrophobicContact CB-CE2 3.77Å |
| 241 | A | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G28 L38 W51 V164 C165 V234 F236 | G28-A241 WeakPolarHBondContact CA-O 3.45Å; G28-A241 PolarHBondContact O-N 3.15Å; L38-A241 HydrophobicContact CD1-CB 4.35Å; L38-A241 HydrophobicContact CD2-CB 3.96Å; W51-A241 HydrophobicContact CH2-CB 3.29Å; W51-A241 HydrophobicContact CZ2-CB 3.7Å; W51-A241 HydrophobicContact CZ3-CB 3.96Å; V164-A241 HydrophobicContact CG2-CB 4.21Å; V164-A241 WeakPolarHBondContact CG2-O 3.23Å; C165-A241 WeakPolarHBondContact CB-O 3.49Å; C165-A241 PolarHBondContact N-O 3.02Å; C165-A241 VanDerWaalsContact N-O 3.09Å; V234-A241 HydrophobicContact CG1-CB 3.74Å; F236-A241 HydrophobicContact CD1-CB 3.82Å; F236-A241 HydrophobicContact CE1-CB 3.78Å |
| 242 | Y | 94.6 | Very high | 89.8 | Confident | 63 Ų | 63 | 27 Ų | 27 | 25% | 0.247 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.3 | 176.9 | -72.3 | -91.7 | 0 | 0 | 0 | 111.1 | C165 V234 C235 I237 K240 | C165-Y242 HydrophobicContact CB-CD1 3.47Å; C165-Y242 VanDerWaalsContact CB-CD1 3.47Å; C165-Y242 HydrophobicContact CB-CE1 3.52Å; C165-Y242 HydrophobicContact CB-CG 4.08Å; C165-Y242 CarbonylContact O-C 3.46Å; C165-Y242 WeakPolarHBondContact O-CA 3.27Å; V234-Y242 CarbonylContact C-O 3.4Å; V234-Y242 WeakPolarHBondContact CA-O 3.44Å; C235-Y242 PolarHBondContact N-O 3.3Å; C235-Y242 PolarHBondContact O-N 3.21Å; I237-Y242 HydrophobicContact CB-CD2 4.14Å; I237-Y242 HydrophobicContact CB-CE2 4.42Å; K240-Y242 HydrophobicContact CB-CD2 4.36Å; K240-Y242 HydrophobicContact CB-CE2 3.77Å |
| 243 | Q | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.7 | 174.1 | -174.1 | -173.7 | -4.1 | 0 | 0 | 110.5 | S67 V164 C165 P167 P232 L233 V234 G245 V270 | S67-Q243 VanDerWaalsContact CB-OE1 3.3Å; S67-Q243 VanDerWaalsContact OG-CD 3.26Å; S67-Q243 PolarHBondContact OG-NE2 2.82Å; S67-Q243 PolarHBondContact OG-OE1 3.15Å; V164-Q243 HydrophobicContact CB-CB 4.49Å; V164-Q243 HydrophobicContact CG1-CB 3.69Å; V164-Q243 VanDerWaalsContact CG1-OE1 3.31Å; V164-Q243 HydrophobicContact CG2-CB 3.94Å; C165-Q243 PolarHBondContact O-N 2.94Å; P167-Q243 WeakPolarHBondContact CD-O 3.37Å; P232-Q243 HydrophobicContact CB-CG 3.91Å; L233-Q243 CarbonylContact O-C 3.52Å; L233-Q243 WeakPolarHBondContact O-CA 3.38Å; V234-Q243 HydrophobicContact CG2-CB 4.36Å; V234-Q243 HydrophobicContact CG2-CG 4.46Å; Q243-G245 PolarHBondContact NE2-O 2.52Å; Q243-V270 HydrophobicContact CG-CG1 3.81Å; Q243-V270 VanDerWaalsContact O-CG2 3.23Å; Q243-V270 WeakPolarHBondContact O-CG2 3.47Å |
| 244 | Y | 94.8 | Very high | 86.1 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -31.8 | -179.9 | -78.2 | -89 | 0 | 0 | 0 | 113 | P167 A171 V172 P173 L233 C235 I237 V270 | P167-Y244 HydrophobicContact CB-CD1 4.33Å; P167-Y244 HydrophobicContact CB-CE1 3.96Å; P167-Y244 HydrophobicContact CG-CD1 3.94Å; P167-Y244 HydrophobicContact CG-CE1 4.09Å; P167-Y244 HydrophobicContact CG-CG 4.45Å; A171-Y244 HydrophobicContact CB-CE1 4.43Å; A171-Y244 WeakPolarHBondContact O-CD1 3.39Å; A171-Y244 WeakPolarHBondContact O-CE1 3.34Å; V172-Y244 VanDerWaalsContact C-CE1 3.47Å; P173-Y244 HydrophobicContact CB-CD2 4.15Å; P173-Y244 HydrophobicContact CB-CE1 4.43Å; P173-Y244 HydrophobicContact CB-CE2 4.08Å; P173-Y244 HydrophobicContact CB-CG 4.35Å; P173-Y244 HydrophobicContact CG-CD1 4.41Å; P173-Y244 HydrophobicContact CG-CD2 4.47Å; P173-Y244 HydrophobicContact CG-CG 4.25Å; L233-Y244 PolarHBondContact O-N 2.8Å; C235-Y244 HydrophobicContact CB-CD2 4.02Å; C235-Y244 HydrophobicContact CB-CE2 4Å; I237-Y244 HydrophobicContact CD1-CE2 3.7Å; I237-Y244 WeakPolarHBondContact CD1-OH 3.42Å; Y244-V270 PolarHBondContact O-N 2.59Å |
| 245 | G | 94.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 173.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | L233 Q243 G268 | L233-G245 PolarHBondContact N-O 3.28Å; Q243-G245 PolarHBondContact NE2-O 2.52Å; G245-G268 CarbonylContact C-O 3.58Å; G245-G268 WeakPolarHBondContact CA-O 3.43Å |
| 246 | V | 96.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122 | 174.4 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | L86 T87 A88 I146 S231 L248 Y267 G268 V270 | L86-V246 HydrophobicContact CB-CG2 4.43Å; T87-V246 VanDerWaalsContact C-CG1 3.48Å; A88-V246 HydrophobicContact CB-CG1 4.45Å; I146-V246 HydrophobicContact CD1-CB 4.43Å; I146-V246 HydrophobicContact CG1-CB 4.36Å; I146-V246 HydrophobicContact CG2-CB 4.25Å; I146-V246 HydrophobicContact CG2-CG2 3.87Å; S231-V246 CarbonylContact O-C 3.45Å; S231-V246 WeakPolarHBondContact O-CA 3.22Å; V246-L248 HydrophobicContact CG1-CD2 4.25Å; V246-L248 PolarHBondContact O-N 2.84Å; V246-Y267 CarbonylContact O-C 3.56Å; V246-Y267 VanDerWaalsContact O-CA 3.24Å; V246-Y267 WeakPolarHBondContact O-CA 3.31Å; V246-G268 PolarHBondContact N-O 2.88Å; V246-G268 PolarHBondContact O-N 2.88Å; V246-V270 HydrophobicContact CG2-CG1 4.18Å |
| 247 | Y | 95.3 | Very high | 78.7 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 127.8 | -179.1 | 179 | -89.7 | 0 | 0 | 0 | 111.5 | A225 S228 G230 S231 E250 H265 Y267 | A225-Y247 WeakPolarHBondContact CB-OH 3.39Å; S228-Y247 VanDerWaalsContact C-CD1 3.5Å; S228-Y247 WeakPolarHBondContact O-CD1 2.97Å; G230-Y247 PolarHBondContact N-O 2.92Å; S231-Y247 PolarHBondContact O-N 2.9Å; Y247-E250 PolarHBondContact OH-N 3.23Å; Y247-E250 VanDerWaalsContact OH-N 3.14Å; Y247-H265 HydrophobicContact CD2-CB 4.12Å; Y247-H265 HydrophobicContact CE2-CB 3.74Å; Y247-H265 AromaticContact CE2-CD2 3.91Å; Y247-H265 AromaticContact CE2-CE1 3.95Å; Y247-H265 AromaticContact CE2-CG 3.51Å; Y247-H265 AromaticContact CE2-ND1 3.55Å; Y247-Y267 HydrophobicContact CD2-CD1 4.18Å; Y247-Y267 AromaticContact CD2-CE1 3.72Å; Y247-Y267 HydrophobicContact CD2-CE1 3.72Å; Y247-Y267 HydrophobicContact CG-CD1 4.47Å; Y247-Y267 HydrophobicContact CG-CE1 4.25Å |
| 248 | L | 92 | Very high | 76.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | -44.5 | 179.3 | -56.2 | -174.3 | 0 | 0 | 0 | 112.9 | A88 Y135 K141 I142 G145 L229 V246 F266 | A88-L248 HydrophobicContact CB-CD2 3.52Å; Y135-L248 HydrophobicContact CD2-CD1 3.93Å; Y135-L248 HydrophobicContact CE2-CD1 3.62Å; K141-L248 WeakPolarHBondContact CB-O 3.47Å; I142-L248 HydrophobicContact CG1-CB 4.23Å; I142-L248 HydrophobicContact CG2-CD1 4.42Å; G145-L248 VanDerWaalsContact O-CD2 3.26Å; G145-L248 WeakPolarHBondContact O-CD2 3.47Å; L229-L248 VanDerWaalsContact CD1-O 3.29Å; L229-L248 WeakPolarHBondContact CD1-O 3.33Å; V246-L248 HydrophobicContact CG1-CD2 4.25Å; V246-L248 PolarHBondContact O-N 2.84Å; L248-F266 HydrophobicContact CB-CD1 4.18Å; L248-F266 HydrophobicContact CD1-CD1 4.26Å; L248-F266 HydrophobicContact CD1-CE1 4Å; L248-F266 HydrophobicContact CG-CD1 4.49Å; L248-F266 PolarHBondContact N-O 2.85Å |
| 249 | S | 88.4 | Confident | 75.1 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 156.1 | -176 | -166.5 | 0 | 0 | 0 | 0 | 112.7 | F266 | S249-F266 WeakPolarHBondContact O-CB 3.33Å; S249-F266 PolarHBondContact O-N 2.83Å |
| 250 | E | 86.4 | Confident | 73.3 | Confident | 93 Ų | 93 | 59.2 Ų | 59.2 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142.1 | 158.6 | -169.8 | -175.3 | 156.3 | 0 | 0 | 109.5 | Y247 V263 F264 | Y247-E250 PolarHBondContact OH-N 3.23Å; Y247-E250 VanDerWaalsContact OH-N 3.14Å; E250-V263 HydrophobicContact CG-CG1 3.26Å; E250-V263 WeakPolarHBondContact OE1-CG1 3.32Å; E250-F264 CarbonylContact C-O 3.45Å |
| 251 | L | 78 | Confident | 71.3 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 114.2 | 175.2 | -62.9 | 179 | 0 | 0 | 0 | 107.8 | I142 F207 L210 F264 F266 | I142-L251 HydrophobicContact CD1-CD2 3.85Å; F207-L251 HydrophobicContact CD1-CD1 4.49Å; F207-L251 HydrophobicContact CD1-CD2 4.37Å; F207-L251 HydrophobicContact CD2-CD1 4.12Å; F207-L251 HydrophobicContact CE1-CB 4.1Å; F207-L251 HydrophobicContact CE1-CD2 4.3Å; F207-L251 HydrophobicContact CE2-CB 4.11Å; F207-L251 HydrophobicContact CE2-CD1 4.23Å; F207-L251 HydrophobicContact CG-CD1 4.26Å; F207-L251 HydrophobicContact CZ-CB 3.76Å; F207-L251 HydrophobicContact CZ-CD1 4.48Å; L210-L251 HydrophobicContact CD1-CD1 3.54Å; L210-L251 HydrophobicContact CD1-CD2 4.07Å; L210-L251 HydrophobicContact CD1-CG 4.46Å; L251-F264 HydrophobicContact CB-CB 4.14Å; L251-F264 PolarHBondContact N-O 3.32Å; L251-F264 PolarHBondContact O-N 2.83Å; L251-F266 HydrophobicContact CD1-CB 3.76Å; L251-F266 HydrophobicContact CD1-CD2 4.07Å; L251-F266 HydrophobicContact CD1-CG 4.3Å; L251-F266 HydrophobicContact CD2-CB 4.46Å; L251-F266 HydrophobicContact CG-CB 3.88Å |
| 252 | A | 69 | Low | 69.8 | Low | 49 Ų | 49 | 68.9 Ų | 68.9 | 41% | 0.405 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | F207 K254 | F207-A252 WeakPolarHBondContact CZ-O 3.37Å; A252-K254 PolarHBondContact O-N 3.14Å |
| 253 | T | 61 | Low | 68.7 | Low | 18 Ų | 18 | 67 Ų | 67 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | trans | -60.9 | 133 | 167.8 | 53.9 | 0 | 0 | 0 | 0 | 109.1 | F207 E255 Q262 F264 | F207-T253 HydrophobicContact CE2-CG2 4.38Å; F207-T253 HydrophobicContact CZ-CG2 4.49Å; T253-E255 PolarHBondContact O-N 3.31Å; T253-Q262 PolarHBondContact N-O 3.11Å; T253-Q262 PolarHBondContact OG1-O 3.42Å; T253-F264 HydrophobicContact CG2-CD2 3.79Å; T253-F264 HydrophobicContact CG2-CE2 3.44Å; T253-F264 VanDerWaalsContact CG2-CE2 3.44Å | ||
| 254 | K | 52.8 | Low | 68.2 | Low | 178 Ų | 178 | 67.4 Ų | 67.4 | 77% | 0.774 | 35% | 0.351 | S | S | * | . | trans | -61.3 | 112.3 | 170.8 | -72.9 | -179.2 | 178.8 | 171.4 | 0 | 108.1 | A252 A256 | A252-K254 PolarHBondContact O-N 3.14Å; K254-A256 PolarHBondContact O-N 3.12Å | ||
| 255 | E | 46 | Very low | 67.9 | Low | 193 Ų | 193 | 66.7 Ų | 66.7 | 90% | 0.902 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 7.6 | 50.9 | 167.4 | -61.8 | 179.9 | 170.6 | 0 | 0 | 118.4 | T253 | T253-E255 PolarHBondContact O-N 3.31Š|
| 256 | A | 42.4 | Very low | 67.7 | Low | 39 Ų | 39 | 66.7 Ų | 66.7 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -79.1 | -23.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K254 | K254-A256 PolarHBondContact O-N 3.12Š|
| 257 | F | 35.7 | Very low | 67.5 | Low | 118 Ų | 118 | 66.7 Ų | 66.7 | 52% | 0.518 | 35% | 0.348 | S | S | . | . | trans | -142.3 | 110.3 | -177.6 | -57.2 | -78.8 | 0 | 0 | 0 | 110.2 | S259 Q260 | F257-S259 PolarHBondContact O-N 3.14Å; F257-Q260 PolarHBondContact O-N 3.34Å | ||
| 258 | P | 44.4 | Very low | 67.4 | Low | 146 Ų | 146 | 66.1 Ų | 66.1 | 95% | 0.948 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.1 | 173.4 | -24.2 | 33.2 | 0 | 0 | 0 | 113.4 | ||
| 259 | S | 43.6 | Very low | 67.5 | Low | 111 Ų | 111 | 66.2 Ų | 66.2 | 78% | 0.776 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -18.1 | -177 | 27.8 | 0 | 0 | 0 | 0 | 115.2 | F257 | F257-S259 PolarHBondContact O-N 3.14Š|
| 260 | Q | 43.6 | Very low | 67.7 | Low | 136 Ų | 136 | 65.8 Ų | 65.8 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | trans | -147.6 | 94.3 | 176.5 | -73.7 | -174.8 | -13.4 | 0 | 0 | 111.4 | F257 Q262 | F257-Q260 PolarHBondContact O-N 3.34Å; Q260-Q262 VanDerWaalsContact C-N 3.35Å; Q260-Q262 PolarHBondContact O-N 2.9Å | ||
| 261 | K | 49.6 | Very low | 67.8 | Low | 166 Ų | 166 | 65.8 Ų | 65.8 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | trans | -70.1 | 91.7 | 168.3 | -171.9 | 178.9 | -177.8 | -180 | 0 | 108.6 | V263 | K261-V263 HydrophobicContact CG-CG2 4.47Å; K261-V263 PolarHBondContact O-N 3.22Å | ||
| 262 | Q | 60.8 | Low | 68 | Low | 89 Ų | 89 | 65.9 Ų | 65.9 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | trans | -72.4 | 123.2 | 172.6 | -74.5 | -177.3 | -8.2 | 0 | 0 | 109.6 | T253 Q260 F264 | T253-Q262 PolarHBondContact N-O 3.11Å; T253-Q262 PolarHBondContact OG1-O 3.42Å; Q260-Q262 VanDerWaalsContact C-N 3.35Å; Q260-Q262 PolarHBondContact O-N 2.9Å; Q262-F264 HydrophobicContact CB-CE2 3.91Å; Q262-F264 HydrophobicContact CB-CZ 4.16Å | ||
| 263 | V | 73 | Confident | 68.7 | Low | 23 Ų | 23 | 63.6 Ų | 63.6 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.4 | 175 | 175.1 | 0 | 0 | 0 | 0 | 107.5 | H220 E250 K261 | H220-V263 HydrophobicContact CB-CB 4.44Å; H220-V263 HydrophobicContact CB-CG1 4.35Å; H220-V263 WeakPolarHBondContact CB-O 3.45Å; H220-V263 PolarHBondContact N-O 3.19Å; E250-V263 HydrophobicContact CG-CG1 3.26Å; E250-V263 WeakPolarHBondContact OE1-CG1 3.32Å; K261-V263 HydrophobicContact CG-CG2 4.47Å; K261-V263 PolarHBondContact O-N 3.22Å |
| 264 | F | 83.3 | Confident | 69.6 | Low | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 147.1 | 176.9 | -64.8 | -80.6 | 0 | 0 | 0 | 110.3 | V197 F204 F207 S218 H219 E250 L251 T253 Q262 | V197-F264 HydrophobicContact CG2-CD1 3.86Å; V197-F264 HydrophobicContact CG2-CE1 3.82Å; F204-F264 HydrophobicContact CE1-CE1 4.49Å; F204-F264 HydrophobicContact CE2-CD1 4.07Å; F204-F264 HydrophobicContact CE2-CE1 4.19Å; F204-F264 HydrophobicContact CE2-CG 4.3Å; F204-F264 HydrophobicContact CZ-CD1 4Å; F204-F264 AromaticContact CZ-CE1 3.69Å; F204-F264 HydrophobicContact CZ-CE1 3.69Å; F204-F264 HydrophobicContact CZ-CZ 4.04Å; F207-F264 HydrophobicContact CE2-CD2 4.44Å; S218-F264 WeakPolarHBondContact O-CA 3.43Å; H219-F264 AromaticContact CD2-CE1 3.52Å; H219-F264 AromaticContact NE2-CE1 3.47Å; H219-F264 WeakPolarHBondContact NE2-CE1 3.41Å; E250-F264 CarbonylContact C-O 3.45Å; L251-F264 HydrophobicContact CB-CB 4.14Å; L251-F264 PolarHBondContact N-O 3.32Å; L251-F264 PolarHBondContact O-N 2.83Å; T253-F264 HydrophobicContact CG2-CD2 3.79Å; T253-F264 HydrophobicContact CG2-CE2 3.44Å; T253-F264 VanDerWaalsContact CG2-CE2 3.44Å; Q262-F264 HydrophobicContact CB-CE2 3.91Å; Q262-F264 HydrophobicContact CB-CZ 4.16Å |
| 265 | H | 88.9 | Confident | 70.5 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.8 | 169.5 | -77.7 | -168.7 | 0 | 0 | 0 | 109.8 | C217 S218 H220 Y247 Y267 | C217-H265 VanDerWaalsContact CA-O 3.32Å; C217-H265 WeakPolarHBondContact CA-O 3.22Å; S218-H265 PolarHBondContact N-O 2.76Å; S218-H265 VanDerWaalsContact N-O 3.17Å; S218-H265 PolarHBondContact O-N 3.39Å; H220-H265 AromaticContact CD2-CD2 3.97Å; H220-H265 AromaticContact CD2-CE1 3.04Å; H220-H265 PolarHBondContact CD2-CE1 2.82Å; H220-H265 AromaticContact CD2-ND1 3.75Å; H220-H265 AromaticContact CD2-NE2 3.23Å; H220-H265 PolarHBondContact CD2-NE2 3.06Å; H220-H265 AromaticContact CG-CE1 3.91Å; H220-H265 AromaticContact CG-NE2 3.66Å; H220-H265 AromaticContact NE2-CE1 3.6Å; H220-H265 AromaticContact NE2-NE2 3.79Å; Y247-H265 HydrophobicContact CD2-CB 4.12Å; Y247-H265 HydrophobicContact CE2-CB 3.74Å; Y247-H265 AromaticContact CE2-CD2 3.91Å; Y247-H265 AromaticContact CE2-CE1 3.95Å; Y247-H265 AromaticContact CE2-CG 3.51Å; Y247-H265 AromaticContact CE2-ND1 3.55Å; H265-Y267 HydrophobicContact CB-CE2 3.7Å; H265-Y267 WeakPolarHBondContact CB-OH 3.43Å; H265-Y267 WeakPolarHBondContact O-CD2 3.43Å; H265-Y267 WeakPolarHBondContact O-CE2 3.34Å |
| 266 | F | 91 | Very high | 71.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128 | 178.5 | -176.8 | -94.3 | 0 | 0 | 0 | 111.4 | Y135 I142 C202 L210 T213 L248 S249 L251 | Y135-F266 HydrophobicContact CD2-CE1 4.43Å; Y135-F266 HydrophobicContact CE2-CE1 4.18Å; I142-F266 HydrophobicContact CD1-CB 4.28Å; I142-F266 HydrophobicContact CD1-CD1 3.79Å; I142-F266 HydrophobicContact CD1-CE1 4.33Å; I142-F266 HydrophobicContact CD1-CG 3.99Å; I142-F266 HydrophobicContact CG1-CD1 3.88Å; I142-F266 HydrophobicContact CG1-CE1 4.32Å; I142-F266 HydrophobicContact CG2-CD1 4.09Å; I142-F266 HydrophobicContact CG2-CE1 3.66Å; I142-F266 HydrophobicContact CG2-CZ 4.29Å; C202-F266 HydrophobicContact CB-CD2 4.02Å; C202-F266 HydrophobicContact CB-CE2 3.91Å; C202-F266 WeakPolarHBondContact SG-CD2 3.22Å; L210-F266 HydrophobicContact CB-CE2 3.94Å; L210-F266 HydrophobicContact CD1-CD2 3.62Å; L210-F266 HydrophobicContact CD1-CE2 3.76Å; L210-F266 HydrophobicContact CD1-CG 4.4Å; L210-F266 HydrophobicContact CD2-CD2 4.44Å; L210-F266 HydrophobicContact CD2-CE2 3.99Å; L210-F266 HydrophobicContact CD2-CZ 4.08Å; L210-F266 HydrophobicContact CG-CD2 4.45Å; L210-F266 HydrophobicContact CG-CE2 4.11Å; T213-F266 WeakPolarHBondContact OG1-CZ 3.38Å; L248-F266 HydrophobicContact CB-CD1 4.18Å; L248-F266 HydrophobicContact CD1-CD1 4.26Å; L248-F266 HydrophobicContact CD1-CE1 4Å; L248-F266 HydrophobicContact CG-CD1 4.49Å; L248-F266 PolarHBondContact N-O 2.85Å; S249-F266 WeakPolarHBondContact O-CB 3.33Å; S249-F266 PolarHBondContact O-N 2.83Å; L251-F266 HydrophobicContact CD1-CB 3.76Å; L251-F266 HydrophobicContact CD1-CD2 4.07Å; L251-F266 HydrophobicContact CD1-CG 4.3Å; L251-F266 HydrophobicContact CD2-CB 4.46Å; L251-F266 HydrophobicContact CG-CB 3.88Å |
| 267 | Y | 93.3 | Very high | 72.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.7 | 176.7 | -50 | -93.3 | 0 | 0 | 0 | 109.6 | V181 G215 L216 S218 L233 V246 Y247 H265 | V181-Y267 HydrophobicContact CB-CE1 4.41Å; V181-Y267 HydrophobicContact CG2-CE1 3.93Å; G215-Y267 CarbonylContact C-O 3.49Å; G215-Y267 WeakPolarHBondContact CA-O 3.11Å; L216-Y267 PolarHBondContact N-O 3.25Å; L216-Y267 VanDerWaalsContact O-CD2 3.32Å; L216-Y267 WeakPolarHBondContact O-CD2 3.32Å; L216-Y267 PolarHBondContact O-N 2.91Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.45Å; S218-Y267 PolarHBondContact OG-OH 2.94Å; L233-Y267 HydrophobicContact CB-CD1 3.72Å; L233-Y267 HydrophobicContact CB-CE1 4.04Å; L233-Y267 HydrophobicContact CB-CG 4.19Å; L233-Y267 HydrophobicContact CD1-CE1 4.2Å; L233-Y267 HydrophobicContact CD1-CE2 4.47Å; L233-Y267 HydrophobicContact CD2-CD1 4.25Å; L233-Y267 HydrophobicContact CD2-CD2 3.95Å; L233-Y267 HydrophobicContact CD2-CE2 4.37Å; L233-Y267 HydrophobicContact CD2-CG 3.9Å; L233-Y267 HydrophobicContact CG-CD1 4.39Å; V246-Y267 CarbonylContact O-C 3.56Å; V246-Y267 VanDerWaalsContact O-CA 3.24Å; V246-Y267 WeakPolarHBondContact O-CA 3.31Å; Y247-Y267 HydrophobicContact CD2-CD1 4.18Å; Y247-Y267 AromaticContact CD2-CE1 3.72Å; Y247-Y267 HydrophobicContact CD2-CE1 3.72Å; Y247-Y267 HydrophobicContact CG-CD1 4.47Å; Y247-Y267 HydrophobicContact CG-CE1 4.25Å; H265-Y267 HydrophobicContact CB-CE2 3.7Å; H265-Y267 WeakPolarHBondContact CB-OH 3.43Å; H265-Y267 WeakPolarHBondContact O-CD2 3.43Å; H265-Y267 WeakPolarHBondContact O-CE2 3.34Å |
| 268 | G | 92.4 | Very high | 72.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y135 I146 G245 V246 | Y135-G268 WeakPolarHBondContact OH-CA 3.35Å; I146-G268 VanDerWaalsContact CD1-O 3.27Å; I146-G268 WeakPolarHBondContact CD1-O 2.99Å; G245-G268 CarbonylContact C-O 3.58Å; G245-G268 WeakPolarHBondContact CA-O 3.43Å; V246-G268 PolarHBondContact N-O 2.88Å; V246-G268 PolarHBondContact O-N 2.88Å |
| 269 | H | 93.5 | Very high | 72.4 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 131.2 | 177.9 | -166.9 | -80.1 | 0 | 0 | 0 | 112.4 | Y135 I146 Y170 A171 N214 R271 T272 | Y135-H269 PolarHBondContact OH-N 2.89Å; I146-H269 VanDerWaalsContact CD1-C 3.5Å; I146-H269 WeakPolarHBondContact CD1-O 3.16Å; Y170-H269 HydrophobicContact CD1-CB 4.23Å; Y170-H269 AromaticContact CD1-CE1 3.77Å; Y170-H269 AromaticContact CD1-CG 3.67Å; Y170-H269 AromaticContact CD1-ND1 3.34Å; Y170-H269 VanDerWaalsContact CD1-ND1 3.34Å; Y170-H269 WeakPolarHBondContact CD1-ND1 3.47Å; Y170-H269 HydrophobicContact CE1-CB 4.26Å; Y170-H269 AromaticContact CE1-ND1 3.7Å; A171-H269 PolarHBondContact O-NE2 2.82Å; A171-H269 VanDerWaalsContact O-NE2 3.13Å; N214-H269 WeakPolarHBondContact O-CB 3.33Å; H269-R271 VanDerWaalsContact ND1-CB 3.29Å; H269-R271 WeakPolarHBondContact ND1-CB 3.36Å; H269-R271 PolarHBondContact ND1-N 3.47Å; H269-R271 VanDerWaalsContact ND1-N 3.12Å; H269-R271 PolarHBondContact O-N 3.1Å; H269-R271 VanDerWaalsContact O-N 3.14Å; H269-T272 WeakPolarHBondContact O-CB 3.38Å; H269-T272 PolarHBondContact O-N 3.08Å; H269-T272 PolarHBondContact O-OG1 2.94Å |
| 270 | V | 92.4 | Very high | 72.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.2 | -173.9 | -68.7 | 0 | 0 | 0 | 0 | 113.7 | L86 I166 P167 Q243 Y244 V246 T272 V273 | L86-V270 HydrophobicContact CD1-CB 4.02Å; L86-V270 HydrophobicContact CD1-CG1 3.84Å; I166-V270 HydrophobicContact CG2-CB 4.46Å; I166-V270 HydrophobicContact CG2-CG2 3.7Å; P167-V270 HydrophobicContact CG-CG2 4.09Å; Q243-V270 HydrophobicContact CG-CG1 3.81Å; Q243-V270 VanDerWaalsContact O-CG2 3.23Å; Q243-V270 WeakPolarHBondContact O-CG2 3.47Å; Y244-V270 PolarHBondContact O-N 2.59Å; V246-V270 HydrophobicContact CG2-CG1 4.18Å; V270-T272 PolarHBondContact O-N 2.82Å; V270-V273 WeakPolarHBondContact O-CG1 3.41Å; V270-V273 PolarHBondContact O-N 3.45Å |
| 271 | R | 88.6 | Confident | 72.8 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -29.9 | -178.5 | -166.5 | 69.3 | -170.7 | 176.5 | 4.4 | 112.9 | A169 Y170 H269 V273 L274 E275 | A169-R271 WeakPolarHBondContact O-CB 3.26Å; A169-R271 WeakPolarHBondContact O-CD 3.34Å; A169-R271 WeakPolarHBondContact O-CG 3.31Å; Y170-R271 HydrophobicContact CD1-CB 4.01Å; Y170-R271 HydrophobicContact CD2-CB 4.35Å; Y170-R271 HydrophobicContact CD2-CG 4.04Å; Y170-R271 HydrophobicContact CE1-CB 3.82Å; Y170-R271 HydrophobicContact CE1-CG 4.38Å; Y170-R271 HydrophobicContact CE2-CB 4.18Å; Y170-R271 HydrophobicContact CE2-CG 3.81Å; Y170-R271 HydrophobicContact CG-CB 4.27Å; Y170-R271 HydrophobicContact CG-CG 4.42Å; H269-R271 VanDerWaalsContact ND1-CB 3.29Å; H269-R271 WeakPolarHBondContact ND1-CB 3.36Å; H269-R271 PolarHBondContact ND1-N 3.47Å; H269-R271 VanDerWaalsContact ND1-N 3.12Å; H269-R271 PolarHBondContact O-N 3.1Å; H269-R271 VanDerWaalsContact O-N 3.14Å; R271-V273 PolarHBondContact O-N 3.21Å; R271-V273 VanDerWaalsContact O-N 3.14Å; R271-L274 PolarHBondContact O-N 2.86Å; R271-E275 PolarHBondContact O-N 2.76Å |
| 272 | T | 83.1 | Confident | 72.4 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.5 | -34.9 | -178.6 | -44.1 | 0 | 0 | 0 | 0 | 112.4 | M133 Y135 Y170 H269 V270 | M133-T272 WeakPolarHBondContact CE-O 3.4Å; M133-T272 HydrophobicContact CG-CG2 3.83Å; Y135-T272 HydrophobicContact CE1-CG2 3.68Å; Y135-T272 PolarHBondContact OH-OG1 2.75Å; Y170-T272 WeakPolarHBondContact OH-CA 3.46Å; H269-T272 WeakPolarHBondContact O-CB 3.38Å; H269-T272 PolarHBondContact O-N 3.08Å; H269-T272 PolarHBondContact O-OG1 2.94Å; V270-T272 PolarHBondContact O-N 2.82Å |
| 273 | V | 83.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -81.4 | -22.9 | -178.4 | 81 | 0 | 0 | 0 | 0 | 113.5 | L86 I146 M148 V270 R271 E275 | L86-V273 HydrophobicContact CD2-CG1 3.51Å; I146-V273 HydrophobicContact CB-CB 4.48Å; I146-V273 HydrophobicContact CG2-CB 4.2Å; I146-V273 HydrophobicContact CG2-CG1 4.5Å; M148-V273 HydrophobicContact CB-CG1 4.4Å; M148-V273 HydrophobicContact CB-CG2 3.69Å; V270-V273 WeakPolarHBondContact O-CG1 3.41Å; V270-V273 PolarHBondContact O-N 3.45Å; R271-V273 PolarHBondContact O-N 3.21Å; R271-V273 VanDerWaalsContact O-N 3.14Å; V273-E275 VanDerWaalsContact C-N 3.35Å |
| 274 | L | 79.2 | Confident | 72.9 | Confident | 51 Ų | 51 | 43.9 Ų | 43.9 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -87.7 | -6.7 | 178.9 | -61.3 | 178.9 | 0 | 0 | 0 | 112.4 | M148 I166 R271 T276 | M148-L274 HydrophobicContact SD-CD2 4.1Å; I166-L274 HydrophobicContact CD1-CD1 3.78Å; I166-L274 HydrophobicContact CG2-CD1 4.03Å; R271-L274 PolarHBondContact O-N 2.86Å; L274-T276 PolarHBondContact O-N 3.15Å |
| 275 | E | 71.9 | Confident | 72.7 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | trans | -64.5 | 124.4 | 174 | -72.4 | -168.4 | 165.2 | 0 | 0 | 111.4 | R131 Y170 R271 V273 | R131-E275 PolarHBondContact NH2-O 3.13Å; Y170-E275 WeakPolarHBondContact CE2-OE1 3.36Å; Y170-E275 VanDerWaalsContact CZ-OE1 3.24Å; Y170-E275 PolarHBondContact OH-OE1 2.91Å; R271-E275 PolarHBondContact O-N 2.76Å; V273-E275 VanDerWaalsContact C-N 3.35Å | ||
| 276 | T | 61.3 | Low | 72.6 | Confident | 121 Ų | 121 | 48.4 Ų | 48.4 | 74% | 0.742 | 26% | 0.259 | S | S | * | . | trans | -98.8 | 8.2 | 172.7 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | L274 P278 | L274-T276 PolarHBondContact O-N 3.15Å; T276-P278 WeakPolarHBondContact O-CD 3.32Å; T276-P278 VanDerWaalsContact O-N 3.14Å | ||
| 277 | N | 61.6 | Low | 72.4 | Confident | 73 Ų | 73 | 49.5 Ų | 49.5 | 39% | 0.39 | 27% | 0.265 | S | S | . | . | trans | -55.9 | 121 | -177.8 | -172 | -23 | 0 | 0 | 0 | 109.6 | M279 T280 A281 | N277-M279 PolarHBondContact O-N 3.12Å; N277-M279 WeakPolarHBondContact OD1-CB 3.4Å; N277-M279 WeakPolarHBondContact OD1-CG 3.48Å; N277-M279 PolarHBondContact OD1-N 3Å; N277-T280 PolarHBondContact O-N 3.1Å; N277-T280 VanDerWaalsContact O-N 3.15Å; N277-T280 PolarHBondContact O-OG1 2.85Å; N277-A281 PolarHBondContact O-N 3.43Å | ||
| 278 | P | 44.1 | Very low | 71.7 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -19.5 | -179.8 | 20.7 | -32 | 0 | 0 | 0 | 113.3 | T276 A281 | T276-P278 WeakPolarHBondContact O-CD 3.32Å; T276-P278 VanDerWaalsContact O-N 3.14Å; P278-A281 VanDerWaalsContact O-CB 3.3Å; P278-A281 WeakPolarHBondContact O-CB 3.17Å; P278-A281 PolarHBondContact O-N 2.89Å |
| 279 | M | 41.7 | Very low | 70.4 | Confident | 93 Ų | 93 | 57.6 Ų | 57.6 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -41 | 178 | -62 | -62.5 | -75.9 | 0 | 0 | 113.2 | N277 A281 S1115 | N277-M279 PolarHBondContact O-N 3.12Å; N277-M279 WeakPolarHBondContact OD1-CB 3.4Å; N277-M279 WeakPolarHBondContact OD1-CG 3.48Å; N277-M279 PolarHBondContact OD1-N 3Å; M279-A281 VanDerWaalsContact C-N 3.29Å; M279-S1115 WeakPolarHBondContact CE-OG 3.29Å |
| 280 | T | 50 | Low | 68.3 | Low | 40 Ų | 40 | 63 Ų | 63 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -79.3 | -17.1 | 173.7 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | N277 F282 S283 V284 | N277-T280 PolarHBondContact O-N 3.1Å; N277-T280 VanDerWaalsContact O-N 3.15Å; N277-T280 PolarHBondContact O-OG1 2.85Å; T280-F282 PolarHBondContact O-N 3.01Å; T280-S283 PolarHBondContact O-N 3.22Å; T280-S283 PolarHBondContact O-OG 2.78Å; T280-V284 WeakPolarHBondContact O-CG2 3.42Å; T280-V284 PolarHBondContact O-N 3.05Å |
| 281 | A | 44.4 | Very low | 65.9 | Low | 52 Ų | 52 | 70 Ų | 70 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -54 | -31.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | N277 P278 M279 S283 V284 | N277-A281 PolarHBondContact O-N 3.43Å; P278-A281 VanDerWaalsContact O-CB 3.3Å; P278-A281 WeakPolarHBondContact O-CB 3.17Å; P278-A281 PolarHBondContact O-N 2.89Å; M279-A281 VanDerWaalsContact C-N 3.29Å; A281-S283 VanDerWaalsContact C-N 3.32Å; A281-S283 PolarHBondContact O-N 2.79Å; A281-V284 PolarHBondContact O-N 3.41Å |
| 282 | F | 42.9 | Very low | 63.3 | Low | 176 Ų | 176 | 75.2 Ų | 75.2 | 77% | 0.772 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -68.4 | -24.6 | 176.8 | -67.8 | -75.8 | 0 | 0 | 0 | 114.4 | T280 | T280-F282 PolarHBondContact O-N 3.01Š|
| 283 | S | 65.8 | Low | 60.7 | Low | 29 Ų | 29 | 82.6 Ų | 82.6 | 20% | 0.203 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -11.5 | 175.1 | 65 | 0 | 0 | 0 | 0 | 113 | P134 T280 A281 I285 | P134-S283 WeakPolarHBondContact CD-O 3.42Å; P134-S283 WeakPolarHBondContact CG-O 3.31Å; T280-S283 PolarHBondContact O-N 3.22Å; T280-S283 PolarHBondContact O-OG 2.78Å; A281-S283 VanDerWaalsContact C-N 3.32Å; A281-S283 PolarHBondContact O-N 2.79Å; S283-I285 PolarHBondContact O-N 3.41Å |
| 284 | V | 77.6 | Confident | 58.1 | Low | 21 Ų | 21 | 88.8 Ų | 88.8 | 13% | 0.127 | 48% | 0.477 | C | S | . | . | trans | -65.8 | 123.6 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | R131 I132 M133 T280 A281 Q286 | R131-V284 HydrophobicContact CG-CG1 3.6Å; I132-V284 WeakPolarHBondContact O-CA 3.27Å; M133-V284 HydrophobicContact CE-CG2 3.41Å; M133-V284 VanDerWaalsContact CE-CG2 3.41Å; M133-V284 HydrophobicContact SD-CG2 3.55Å; M133-V284 VanDerWaalsContact SD-CG2 3.55Å; T280-V284 WeakPolarHBondContact O-CG2 3.42Å; T280-V284 PolarHBondContact O-N 3.05Å; A281-V284 PolarHBondContact O-N 3.41Å; V284-Q286 HydrophobicContact CG1-CG 3.77Å | ||
| 285 | I | 80 | Confident | 55.7 | Low | 34 Ų | 34 | 94 Ų | 94 | 17% | 0.174 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.3 | 173.5 | -59.1 | 169.4 | 0 | 0 | 0 | 107.7 | W100 I132 P134 S283 L287 | W100-I285 HydrophobicContact CD2-CG2 4.22Å; W100-I285 HydrophobicContact CG-CG2 4.39Å; W100-I285 HydrophobicContact CH2-CD1 4.16Å; W100-I285 HydrophobicContact CZ2-CD1 3.27Å; W100-I285 HydrophobicContact CZ2-CG2 4.34Å; I132-I285 HydrophobicContact CB-CB 4.16Å; I132-I285 PolarHBondContact N-O 3.28Å; I132-I285 PolarHBondContact O-N 2.87Å; P134-I285 HydrophobicContact CG-CD1 4.42Å; S283-I285 PolarHBondContact O-N 3.41Å; I285-L287 HydrophobicContact CG2-CD2 4.2Å |
| 286 | Q | 85.9 | Confident | 53.6 | Low | 71 Ų | 71 | 94.6 Ų | 94.6 | 33% | 0.332 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.2 | 179.2 | -62.8 | -171.6 | -25.9 | 0 | 0 | 110.8 | V284 W289 | V284-Q286 HydrophobicContact CG1-CG 3.77Å; Q286-W289 HydrophobicContact CB-CG 4.14Å; Q286-W289 VanDerWaalsContact OE1-CD2 3.25Å |
| 287 | L | 86 | Confident | 51.9 | Low | 23 Ų | 23 | 98.7 Ų | 98.7 | 12% | 0.12 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.6 | 177.9 | -51.7 | 172.2 | 0 | 0 | 0 | 109.2 | F92 W100 P103 K129 I130 I132 I285 | F92-L287 HydrophobicContact CB-CD1 4.33Å; W100-L287 HydrophobicContact CB-CD1 3.99Å; W100-L287 HydrophobicContact CB-CD2 3.58Å; W100-L287 HydrophobicContact CB-CG 4.45Å; W100-L287 HydrophobicContact CE3-CD1 4.28Å; W100-L287 HydrophobicContact CG-CD1 4.48Å; W100-L287 HydrophobicContact CG-CD2 4.03Å; P103-L287 VanDerWaalsContact CG-C 3.48Å; P103-L287 HydrophobicContact CG-CB 3.74Å; P103-L287 WeakPolarHBondContact CG-O 3.21Å; K129-L287 WeakPolarHBondContact CA-O 3.33Å; I130-L287 HydrophobicContact CB-CB 4.18Å; I130-L287 HydrophobicContact CB-CD1 4.28Å; I130-L287 HydrophobicContact CD1-CD1 4.4Å; I130-L287 HydrophobicContact CG2-CD1 4.47Å; I130-L287 PolarHBondContact N-O 2.67Å; I130-L287 PolarHBondContact O-N 3.31Å; I132-L287 HydrophobicContact CD1-CD1 3.88Å; I285-L287 HydrophobicContact CG2-CD2 4.2Å |
| 288 | G | 78.8 | Confident | 50.2 | Low | 46 Ų | 46 | 104.6 Ų | 104.6 | 47% | 0.474 | 55% | 0.554 | S | S | . | * | S | Bend | trans | 83.3 | 16.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 289 | W | 66.7 | Low | 49.2 | Very low | 123 Ų | 123 | 105.8 Ų | 105.8 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | trans | -91.1 | 129.9 | 172.1 | -75.5 | 55.6 | 0 | 0 | 0 | 110 | Q286 | Q286-W289 HydrophobicContact CB-CG 4.14Å; Q286-W289 VanDerWaalsContact OE1-CD2 3.25Å | ||
| 290 | S | 48.8 | Very low | 48.3 | Very low | 116 Ų | 116 | 106.6 Ų | 106.6 | 81% | 0.811 | 58% | 0.58 | S | S | * | * | trans | -111.1 | 103.3 | 164 | -173.6 | 0 | 0 | 0 | 0 | 105.6 | K292 | S290-K292 PolarHBondContact O-N 3.05Š| ||
| 291 | E | 41.5 | Very low | 47 | Very low | 148 Ų | 148 | 108.6 Ų | 108.6 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | trans | -67.4 | 111.7 | 169.7 | -77.9 | -174.2 | 165.2 | 0 | 0 | 108.1 | K293 | E291-K293 PolarHBondContact O-N 3.08Š| ||
| 292 | K | 34.3 | Very low | 46 | Very low | 201 Ų | 201 | 111.8 Ų | 111.8 | 87% | 0.874 | 62% | 0.615 | S | S | * | * | trans | -64.8 | 93.9 | 147.2 | -75.2 | -175.5 | 177.3 | -177.8 | 0 | 105.4 | S290 | S290-K292 PolarHBondContact O-N 3.05Š| ||
| 293 | K | 28.8 | Very low | 45.3 | Very low | 169 Ų | 169 | 109.6 Ų | 109.6 | 74% | 0.735 | 61% | 0.611 | S | S | * | * | trans | -47.6 | 135.5 | 167.5 | -98.3 | -178.5 | 175.1 | 179.8 | 0 | 108.3 | E291 L295 | E291-K293 PolarHBondContact O-N 3.08Å; K293-L295 PolarHBondContact O-N 3.11Å | ||
| 294 | P | 29.5 | Very low | 43.3 | Very low | 130 Ų | 130 | 112.7 Ų | 112.7 | 84% | 0.844 | 63% | 0.633 | S | S | * | * | trans | -57.2 | 114.2 | 177.2 | -18.6 | 30 | 0 | 0 | 0 | 108.3 | G296 | P294-G296 PolarHBondContact O-N 2.87Š| ||
| 295 | L | 29.1 | Very low | 40.7 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 84% | 0.838 | 67% | 0.669 | S | S | * | * | trans | -68.4 | 95.5 | -177.6 | -161.8 | 73.9 | 0 | 0 | 0 | 107.5 | K293 K297 | K293-L295 PolarHBondContact O-N 3.11Å; L295-K297 PolarHBondContact O-N 2.88Å | ||
| 296 | G | 26.6 | Very low | 38.2 | Very low | 66 Ų | 66 | 127.3 Ų | 127.3 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | trans | -53.5 | 115.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | P294 K298 | P294-G296 PolarHBondContact O-N 2.87Å; G296-K298 PolarHBondContact O-N 2.95Å | ||
| 297 | K | 24.8 | Very low | 35.3 | Very low | 208 Ų | 208 | 135.4 Ų | 135.4 | 90% | 0.904 | 72% | 0.721 | S | S | * | * | trans | -37.9 | 102 | 179.4 | -68.7 | 172.8 | 176.3 | 176.9 | 0 | 111.2 | L295 | L295-K297 PolarHBondContact O-N 2.88Š| ||
| 298 | K | 27.7 | Very low | 32.5 | Very low | 196 Ų | 196 | 145 Ų | 145 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | trans | -126.9 | 111.7 | 149.8 | -76.3 | -166.8 | 178.4 | -176.9 | 0 | 107.1 | G296 | G296-K298 PolarHBondContact O-N 2.95Š| ||
| 299 | S | 22.5 | Very low | 30.2 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -50.8 | 145.1 | 175 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 300 | S | 22.4 | Very low | 28.2 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 82 | 120.9 | 145.5 | -155 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 301 | S | 23.8 | Very low | 27.4 | Very low | 82 Ų | 82 | 152.9 Ų | 152.9 | 57% | 0.573 | 79% | 0.792 | S | S | * | * | trans | 76.8 | 89.6 | 145.7 | -171.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 302 | S | 23.3 | Very low | 26.9 | Very low | 119 Ų | 119 | 153 Ų | 153 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -77.1 | 95.5 | 141.4 | 48.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 303 | D | 26.7 | Very low | 27 | Very low | 130 Ų | 130 | 149 Ų | 149 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -95.1 | 105 | 161.1 | -97 | -33.4 | 0 | 0 | 0 | 109.3 | Y305 | D303-Y305 PolarHBondContact O-N 3.06Š| ||
| 304 | S | 24.1 | Very low | 27.5 | Very low | 94 Ų | 94 | 146.4 Ų | 146.4 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | -62.5 | 108.6 | 165.7 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | I306 | S304-I306 VanDerWaalsContact C-N 3.26Å; S304-I306 PolarHBondContact O-N 3.25Å | ||
| 305 | Y | 24.4 | Very low | 27.8 | Very low | 226 Ų | 226 | 146.4 Ų | 146.4 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | -69.4 | 88.3 | 162.2 | -85.6 | -91.8 | 0 | 0 | 0 | 109.1 | D303 R307 | D303-Y305 PolarHBondContact O-N 3.06Å; Y305-R307 PolarHBondContact O-N 3.11Å | ||
| 306 | I | 27.2 | Very low | 28 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | trans | -63.2 | 113.3 | 157.1 | -67.5 | 174.6 | 0 | 0 | 0 | 106.3 | S304 R308 | S304-I306 VanDerWaalsContact C-N 3.26Å; S304-I306 PolarHBondContact O-N 3.25Å; I306-R308 PolarHBondContact O-N 3.48Å | ||
| 307 | R | 25.3 | Very low | 28.4 | Very low | 240 Ų | 240 | 152.9 Ų | 152.9 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -56 | 96.1 | 167.8 | -75.3 | -179.6 | 170.4 | -163.8 | -3.2 | 108.9 | Y305 | Y305-R307 PolarHBondContact O-N 3.11Š| ||
| 308 | R | 26.7 | Very low | 28.9 | Very low | 226 Ų | 226 | 148.7 Ų | 148.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -77.3 | 127.6 | 161 | -88.7 | -177.6 | 172.8 | 173.4 | -1.7 | 108.2 | I306 | I306-R308 PolarHBondContact O-N 3.48Š| ||
| 309 | P | 29.3 | Very low | 29.5 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -69.4 | 138.8 | -178.4 | 27.9 | -32.1 | 0 | 0 | 0 | 110.6 | K311 | P309-K311 PolarHBondContact O-N 3.18Å; P309-K311 VanDerWaalsContact O-N 3.14Å | ||
| 310 | C | 25.7 | Very low | 30.3 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -56.5 | 112.7 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | N312 | C310-N312 PolarHBondContact O-N 3.2Š| ||
| 311 | K | 30.7 | Very low | 30.9 | Very low | 206 Ų | 206 | 149.9 Ų | 149.9 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 116.6 | 163.2 | -99.9 | -178.2 | 173.1 | -177.6 | 0 | 107.5 | P309 | P309-K311 PolarHBondContact O-N 3.18Å; P309-K311 VanDerWaalsContact O-N 3.14Å |
| 312 | N | 31.3 | Very low | 31.4 | Very low | 149 Ų | 149 | 152.9 Ų | 152.9 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 132.2 | 173.3 | -73.4 | -29.8 | 0 | 0 | 0 | 110 | C310 | C310-N312 PolarHBondContact O-N 3.2Š|
| 313 | P | 36.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 144.1 | 175.8 | 27.8 | -32.6 | 0 | 0 | 0 | 110.8 | ||
| 314 | P | 38.9 | Very low | 32 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 160.9 | -179.6 | 27.1 | -32.2 | 0 | 0 | 0 | 112.7 | ||
| 315 | P | 36.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 153 Ų | 153 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 135.9 | -162.8 | -11 | 26.5 | 0 | 0 | 0 | 112.4 | ||
| 316 | R | 33.2 | Very low | 32.7 | Very low | 252 Ų | 252 | 147 Ų | 147 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 129 | 175.5 | -74.5 | 179 | 173.1 | -152 | -3.1 | 110.8 | ||
| 317 | S | 35.2 | Very low | 33.3 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76 | 153.6 | 164.4 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 318 | P | 35.9 | Very low | 33.8 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 172.2 | -165.4 | 34.3 | -35.4 | 0 | 0 | 0 | 114.3 | ||
| 319 | P | 40.6 | Very low | 34.3 | Very low | 130 Ų | 130 | 139 Ų | 139 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 148.3 | -138.4 | 35.8 | -36 | 0 | 0 | 0 | 114.3 | ||
| 320 | R | 38.1 | Very low | 34.3 | Very low | 251 Ų | 251 | 139.3 Ų | 139.3 | 95% | 0.947 | 82% | 0.822 | S | S | * | * | trans | -122.1 | 121.2 | 164.9 | -85.9 | -174 | 176.6 | -156.2 | -0.8 | 110.3 | ||||
| 321 | G | 34.8 | Very low | 34.7 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | 78 | 121.9 | 134.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | G323 | G321-G323 PolarHBondContact O-N 2.96Š| ||
| 322 | P | 34.5 | Very low | 34.9 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | -79.2 | 118.6 | 171.3 | 33 | -27.6 | 0 | 0 | 0 | 108.8 | ||||
| 323 | G | 34.8 | Very low | 35.1 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -144.7 | 111.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G321 | G321-G323 PolarHBondContact O-N 2.96Š| ||
| 324 | T | 28.9 | Very low | 35.2 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -34.1 | 158.3 | 171 | 40.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 325 | D | 32.9 | Very low | 34.9 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | 92.7 | 85.4 | 167.2 | -51.2 | -27.5 | 0 | 0 | 0 | 116.5 | P327 | D325-P327 VanDerWaalsContact O-CD 3.26Å; D325-P327 WeakPolarHBondContact O-CD 3.45Å | ||
| 326 | A | 30.4 | Very low | 35 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -61.7 | 118 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S328 | A326-S328 PolarHBondContact O-N 2.85Š| ||
| 327 | P | 38.3 | Very low | 35.2 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -71.7 | 129.5 | 173.6 | -12.7 | 28.8 | 0 | 0 | 0 | 109.8 | D325 K329 | D325-P327 VanDerWaalsContact O-CD 3.26Å; D325-P327 WeakPolarHBondContact O-CD 3.45Å; P327-K329 PolarHBondContact O-N 3.08Å | ||
| 328 | S | 36.7 | Very low | 35.3 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -37.2 | 117.2 | 172.2 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | A326 C330 | A326-S328 PolarHBondContact O-N 2.85Å; S328-C330 PolarHBondContact O-N 3.36Å; S328-C330 VanDerWaalsContact O-N 3.14Å | ||
| 329 | K | 36 | Very low | 35.3 | Very low | 203 Ų | 203 | 142.4 Ų | 142.4 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -60.4 | 116.1 | 168.8 | -80.6 | 176.2 | 176.6 | 170.6 | 0 | 109.1 | P327 G331 | P327-K329 PolarHBondContact O-N 3.08Å; K329-G331 PolarHBondContact O-N 3.48Å; K329-G331 VanDerWaalsContact O-N 3.12Å | ||
| 330 | C | 30.5 | Very low | 35 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -44.2 | 118.1 | 165.2 | -81 | 0 | 0 | 0 | 0 | 110.4 | S328 K332 | S328-C330 PolarHBondContact O-N 3.36Å; S328-C330 VanDerWaalsContact O-N 3.14Å; C330-K332 PolarHBondContact O-N 3.08Å | ||
| 331 | G | 34.5 | Very low | 34.8 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 127.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K329 | K329-G331 PolarHBondContact O-N 3.48Å; K329-G331 VanDerWaalsContact O-N 3.12Å |
| 332 | K | 33.3 | Very low | 34.8 | Very low | 197 Ų | 197 | 138.4 Ų | 138.4 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 128.2 | 168.7 | -80.7 | 178.2 | 176.8 | 175 | 0 | 108 | C330 V334 | C330-K332 PolarHBondContact O-N 3.08Å; K332-V334 PolarHBondContact O-N 3Å |
| 333 | P | 37.1 | Very low | 35.1 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 131.9 | -178.8 | 23.3 | -30.9 | 0 | 0 | 0 | 110.3 | K335 | P333-K335 PolarHBondContact O-N 3.29Š|
| 334 | V | 38.7 | Very low | 35.5 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -56.7 | 108 | 173 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | K332 P336 | K332-V334 PolarHBondContact O-N 3Å; V334-P336 WeakPolarHBondContact O-CD 3.41Å | ||
| 335 | K | 32.9 | Very low | 36.9 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -64.6 | 123.9 | 171.2 | -100.4 | 178.3 | 175.8 | 175.7 | 0 | 107.7 | P333 A337 | P333-K335 PolarHBondContact O-N 3.29Å; K335-A337 PolarHBondContact O-N 3.13Å | ||
| 336 | P | 38.4 | Very low | 38.6 | Very low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 136.3 | 176.4 | 21.8 | -29.7 | 0 | 0 | 0 | 109.3 | V334 R338 | V334-P336 WeakPolarHBondContact O-CD 3.41Å; P336-R338 PolarHBondContact O-N 2.69Å | ||
| 337 | A | 37.3 | Very low | 41 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -52.4 | 99.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | K335 R339 | K335-A337 PolarHBondContact O-N 3.13Å; A337-R339 PolarHBondContact O-N 3.1Å | ||
| 338 | R | 37.1 | Very low | 43.2 | Very low | 222 Ų | 222 | 136.2 Ų | 136.2 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | trans | -67.6 | 107.5 | 172.6 | -167.2 | -179.9 | -170 | -166.7 | 3.2 | 105.2 | P336 D340 | P336-R338 PolarHBondContact O-N 2.69Å; R338-D340 PolarHBondContact O-N 3.02Å | ||
| 339 | R | 35.6 | Very low | 45.8 | Very low | 236 Ų | 236 | 134 Ų | 134 | 89% | 0.891 | 70% | 0.701 | S | S | * | * | trans | -53.3 | 105.4 | 168.3 | -68.4 | -178.1 | 179.3 | -174.3 | -0.2 | 106.3 | A337 | A337-R339 PolarHBondContact O-N 3.1Š| ||
| 340 | D | 34.5 | Very low | 48.6 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | trans | -55.5 | 129.1 | 171.1 | -82.2 | -39.4 | 0 | 0 | 0 | 106.5 | R338 V342 | R338-D340 PolarHBondContact O-N 3.02Å; D340-V342 PolarHBondContact O-N 2.87Å | ||
| 341 | P | 33.5 | Very low | 51.5 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 69% | 0.688 | 62% | 0.619 | S | S | * | * | trans | -57.7 | 121.4 | 179.7 | 24.8 | -30.7 | 0 | 0 | 0 | 105.8 | I343 | P341-I343 VanDerWaalsContact C-N 3.28Å; P341-I343 PolarHBondContact O-N 3.21Å | ||
| 342 | V | 35.4 | Very low | 54.1 | Low | 126 Ų | 126 | 116 Ų | 116 | 76% | 0.764 | 59% | 0.59 | S | S | * | * | trans | -50.1 | 99.1 | 177 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | D340 Q344 | D340-V342 PolarHBondContact O-N 2.87Å; V342-Q344 HydrophobicContact CG1-CG 4.25Å; V342-Q344 PolarHBondContact O-N 3.06Å | ||
| 343 | I | 41.3 | Very low | 56.6 | Low | 124 Ų | 124 | 106.7 Ų | 106.7 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | trans | -66.2 | 95.9 | 167.9 | -62.5 | 175.3 | 0 | 0 | 0 | 101.7 | P341 H345 | P341-I343 VanDerWaalsContact C-N 3.28Å; P341-I343 PolarHBondContact O-N 3.21Å; I343-H345 PolarHBondContact O-CD2 2.8Å; I343-H345 VanDerWaalsContact O-CD2 3.24Å; I343-H345 PolarHBondContact O-N 3.15Å | ||
| 344 | Q | 42.3 | Very low | 58.7 | Low | 160 Ų | 160 | 106 Ų | 106 | 75% | 0.748 | 54% | 0.538 | S | S | * | . | trans | -59.7 | 94.5 | 172.3 | -73.3 | -172.5 | -13.6 | 0 | 0 | 105.6 | V342 K346 | V342-Q344 HydrophobicContact CG1-CG 4.25Å; V342-Q344 PolarHBondContact O-N 3.06Å; Q344-K346 PolarHBondContact O-N 2.76Å | ||
| 345 | H | 57.4 | Low | 60.5 | Low | 162 Ų | 162 | 100.3 Ų | 100.3 | 75% | 0.75 | 50% | 0.504 | S | S | * | . | trans | -65 | 89.1 | 172.9 | -76.6 | -78.6 | 0 | 0 | 0 | 105.5 | I343 P347 | I343-H345 PolarHBondContact O-CD2 2.8Å; I343-H345 VanDerWaalsContact O-CD2 3.24Å; I343-H345 PolarHBondContact O-N 3.15Å; H345-P347 VanDerWaalsContact O-N 3.16Å | ||
| 346 | K | 68.5 | Low | 62.5 | Low | 140 Ų | 140 | 94 Ų | 94 | 61% | 0.609 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 125.9 | 175.4 | -75.2 | -173 | 177 | -175 | 0 | 107.4 | Q344 V348 | Q344-K346 PolarHBondContact O-N 2.76Å; K346-V348 PolarHBondContact O-N 2.76Å |
| 347 | P | 81.3 | Confident | 64.2 | Low | 67 Ų | 67 | 92 Ų | 92 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 134.7 | -179.8 | 21.3 | -31.2 | 0 | 0 | 0 | 109.5 | H345 Y349 T402 | H345-P347 VanDerWaalsContact O-N 3.16Å; P347-Y349 HydrophobicContact CB-CE2 3.75Å; P347-Y349 HydrophobicContact CG-CE2 3.76Å; P347-T402 HydrophobicContact CB-CG2 3.54Å |
| 348 | V | 85.5 | Confident | 66.1 | Low | 9 Ų | 9 | 89.8 Ų | 89.8 | 6% | 0.055 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 128.9 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 107.1 | K346 T355 T402 V403 V484 | K346-V348 PolarHBondContact O-N 2.76Å; V348-T355 HydrophobicContact CB-CG2 4.23Å; V348-T355 HydrophobicContact CG1-CG2 4.22Å; V348-T355 HydrophobicContact CG2-CG2 3.83Å; V348-T402 CarbonylContact O-C 3.57Å; V348-T402 VanDerWaalsContact O-CA 3.22Å; V348-T402 WeakPolarHBondContact O-CA 3.44Å; V348-V403 VanDerWaalsContact CB-O 3.31Å; V348-V403 WeakPolarHBondContact CB-O 3.29Å; V348-V403 WeakPolarHBondContact CG1-O 3.4Å; V348-V403 PolarHBondContact O-N 2.89Å; V348-V484 HydrophobicContact CG1-CG2 4.2Å |
| 349 | Y | 91.5 | Very high | 68.2 | Low | 67 Ų | 67 | 82.3 Ų | 82.3 | 26% | 0.263 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -117 | 154 | 175.9 | -60.7 | -81.7 | 0 | 0 | 0 | 109.9 | P347 Q400 Q401 T402 V484 | P347-Y349 HydrophobicContact CB-CE2 3.75Å; P347-Y349 HydrophobicContact CG-CE2 3.76Å; Y349-Q400 VanDerWaalsContact CE1-O 3.27Å; Y349-Q400 WeakPolarHBondContact CE1-O 3.43Å; Y349-Q401 WeakPolarHBondContact CD1-O 3.43Å; Y349-T402 HydrophobicContact CE1-CG2 3.88Å; Y349-V484 WeakPolarHBondContact O-CG1 3.25Å |
| 350 | C | 93.7 | Very high | 70.3 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 149.5 | 173.2 | 64.8 | 0 | 0 | 0 | 0 | 111.1 | D352 H395 P485 C487 R564 | C350-D352 PolarHBondContact O-N 3.38Å; C350-H395 HydrophobicContact CB-CB 3.54Å; C350-P485 CarbonylContact C-O 3.59Å; C350-P485 WeakPolarHBondContact CA-O 3.5Å; C350-P485 WeakPolarHBondContact CB-O 3.33Å; C350-C487 HydrophobicContact CB-CB 4.14Å; C350-C487 WeakPolarHBondContact CB-SG 3.48Å; C350-C487 PolarHBondContact O-SG 2.85Å; C350-C487 VanDerWaalsContact SG-CA 3.54Å; C350-C487 WeakPolarHBondContact SG-CB 3.16Å; C350-C487 CovalentContact SG-SG 2.05Å; C350-C487 PolarHBondContact SG-SG 2.89Å; C350-R564 PolarHBondContact O-NH1 2.84Å |
| 351 | G | 91.6 | Very high | 72.2 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 9.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L360 P485 A565 | G351-L360 WeakPolarHBondContact O-CD1 3.45Å; G351-P485 PolarHBondContact N-O 2.92Å; G351-A565 WeakPolarHBondContact O-CB 3.4Å; G351-A565 PolarHBondContact O-N 3.38Å |
| 352 | D | 89.7 | Confident | 74.2 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | trans | -114.2 | 134.8 | 178.8 | -174.9 | -0.8 | 0 | 0 | 0 | 110.3 | C350 I354 V484 | C350-D352 PolarHBondContact O-N 3.38Å; D352-I354 WeakPolarHBondContact OD1-CB 3.29Å; D352-I354 WeakPolarHBondContact OD1-CD1 3.22Å; D352-I354 WeakPolarHBondContact OD1-CG1 3.49Å; D352-I354 PolarHBondContact OD1-N 3.47Å; D352-V484 WeakPolarHBondContact O-CG1 3.44Å | ||
| 353 | T | 85.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -112.1 | 4 | -177.9 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | T355 F356 R358 L360 Y363 P374 W375 | T353-T355 PolarHBondContact O-N 3.34Å; T353-F356 PolarHBondContact O-N 3.27Å; T353-R358 CarbonylContact C-O 3.52Å; T353-R358 VanDerWaalsContact O-O 3.06Å; T353-R358 PolarHBondContact OG1-O 3.38Å; T353-L360 HydrophobicContact CG2-CD2 3.65Å; T353-L360 PolarHBondContact OG1-N 3.2Å; T353-Y363 HydrophobicContact CG2-CE2 3.85Å; T353-P374 HydrophobicContact CG2-CG 3.62Å; T353-W375 HydrophobicContact CG2-CZ3 4.39Å | ||
| 354 | I | 81.3 | Confident | 77.7 | Confident | 105 Ų | 105 | 54 Ų | 54 | 54% | 0.538 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -56.4 | -28.6 | 176.9 | -68.9 | 167 | 0 | 0 | 0 | 111.3 | D352 F356 G357 R358 | D352-I354 WeakPolarHBondContact OD1-CB 3.29Å; D352-I354 WeakPolarHBondContact OD1-CD1 3.22Å; D352-I354 WeakPolarHBondContact OD1-CG1 3.49Å; D352-I354 PolarHBondContact OD1-N 3.47Å; I354-F356 PolarHBondContact O-N 3.42Å; I354-G357 WeakPolarHBondContact O-CA 3.27Å; I354-G357 PolarHBondContact O-N 3.29Å; I354-R358 WeakPolarHBondContact CA-O 3.21Å; I354-R358 PolarHBondContact N-O 3.15Å |
| 355 | T | 76.1 | Confident | 78.7 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -62.6 | -24.4 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | V348 T353 G357 R479 | V348-T355 HydrophobicContact CB-CG2 4.23Å; V348-T355 HydrophobicContact CG1-CG2 4.22Å; V348-T355 HydrophobicContact CG2-CG2 3.83Å; T353-T355 PolarHBondContact O-N 3.34Å; T355-G357 VanDerWaalsContact C-N 3.31Å; T355-R479 VanDerWaalsContact CB-CZ 3.48Å; T355-R479 PolarHBondContact O-NH2 2.82Å |
| 356 | F | 76 | Confident | 78.5 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 25% | 0.254 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -91.2 | 6.8 | 171.5 | -61.2 | -61.8 | 0 | 0 | 0 | 112.8 | T353 I354 R358 P374 R479 V484 | T353-F356 PolarHBondContact O-N 3.27Å; I354-F356 PolarHBondContact O-N 3.42Å; F356-R358 VanDerWaalsContact C-N 3.29Å; F356-P374 HydrophobicContact CE2-CB 3.87Å; F356-P374 HydrophobicContact CE2-CG 4.2Å; F356-R479 HydrophobicContact CE1-CG 4.26Å; F356-R479 HydrophobicContact CZ-CG 4.44Å; F356-V484 HydrophobicContact CD2-CG2 4.38Å; F356-V484 HydrophobicContact CE2-CB 4.21Å; F356-V484 HydrophobicContact CE2-CG2 3.44Å; F356-V484 VanDerWaalsContact CE2-CG2 3.44Å; F356-V484 HydrophobicContact CZ-CG2 3.82Å |
| 357 | G | 73.9 | Confident | 77.6 | Confident | 71 Ų | 71 | 42 Ų | 42 | 73% | 0.732 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 25.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I354 T355 | I354-G357 WeakPolarHBondContact O-CA 3.27Å; I354-G357 PolarHBondContact O-N 3.29Å; T355-G357 VanDerWaalsContact C-N 3.31Å |
| 358 | R | 76.9 | Confident | 75.9 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | trans | -133.7 | 154.3 | -174.5 | -68.3 | -178.1 | 66.7 | 167.9 | -3.7 | 111.1 | T353 I354 F356 S362 Y363 N368 D371 | T353-R358 CarbonylContact C-O 3.52Å; T353-R358 VanDerWaalsContact O-O 3.06Å; T353-R358 PolarHBondContact OG1-O 3.38Å; I354-R358 WeakPolarHBondContact CA-O 3.21Å; I354-R358 PolarHBondContact N-O 3.15Å; F356-R358 VanDerWaalsContact C-N 3.29Å; R358-S362 PolarHBondContact NE-OG 2.98Å; R358-S362 PolarHBondContact NH2-O 2.66Å; R358-Y363 HydrophobicContact CB-CE2 4.13Å; R358-N368 PolarHBondContact NH2-O 3.07Å; R358-D371 IonicContact CZ-OD2 3.86Å; R358-D371 IonicContact NH1-OD2 2.83Å; R358-D371 PolarHBondContact NH1-OD2 3.38Å; R358-D371 IonicContact NH2-OD2 3.61Å | ||
| 359 | S | 80.2 | Confident | 74.5 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | trans | -92.1 | 154.3 | 169.4 | 66.2 | 0 | 0 | 0 | 0 | 110.6 | Q361 S362 Y363 | S359-Q361 PolarHBondContact O-N 3.35Å; S359-S362 WeakPolarHBondContact O-CB 3.43Å; S359-S362 PolarHBondContact O-N 2.99Å; S359-S362 PolarHBondContact O-OG 3.14Å; S359-S362 PolarHBondContact OG-N 2.79Å; S359-Y363 WeakPolarHBondContact O-CD2 2.93Å | ||
| 360 | L | 81.1 | Confident | 73.1 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -55.4 | -39.9 | 172.7 | -71.4 | 170.9 | 0 | 0 | 0 | 112.3 | G351 T353 S362 Y363 W375 L560 G563 A565 | G351-L360 WeakPolarHBondContact O-CD1 3.45Å; T353-L360 HydrophobicContact CG2-CD2 3.65Å; T353-L360 PolarHBondContact OG1-N 3.2Å; L360-S362 PolarHBondContact O-N 3.21Å; L360-Y363 WeakPolarHBondContact O-CB 3.12Å; L360-Y363 PolarHBondContact O-N 3.12Å; L360-Y363 VanDerWaalsContact O-N 3.11Å; L360-W375 HydrophobicContact CD2-CH2 3.63Å; L360-W375 HydrophobicContact CD2-CZ3 4.12Å; L360-L560 HydrophobicContact CB-CD1 4.24Å; L360-L560 HydrophobicContact CB-CD2 4.23Å; L360-L560 HydrophobicContact CD1-CD2 4.07Å; L360-G563 VanDerWaalsContact CD1-C 3.48Å; L360-G563 WeakPolarHBondContact CD1-O 3.49Å; L360-A565 HydrophobicContact CD1-CB 4.1Å; L360-A565 HydrophobicContact CD2-CB 4.15Å |
| 361 | Q | 74.7 | Confident | 72.3 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -61.5 | -27.8 | 179 | -161.6 | 61.4 | 32.1 | 0 | 0 | 112.7 | S359 Y363 V364 V365 | S359-Q361 PolarHBondContact O-N 3.35Å; Q361-Y363 PolarHBondContact O-N 3.3Å; Q361-V364 WeakPolarHBondContact O-CG2 3.35Å; Q361-V364 PolarHBondContact O-N 2.76Å; Q361-V365 HydrophobicContact CG-CB 4.44Å; Q361-V365 HydrophobicContact CG-CG2 4.36Å; Q361-V365 PolarHBondContact O-N 3.1Å |
| 362 | S | 74.9 | Confident | 72 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 12% | 0.119 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -69 | -14.4 | 178.7 | 79.5 | 0 | 0 | 0 | 0 | 114.4 | R358 S359 L360 N368 A369 | R358-S362 PolarHBondContact NE-OG 2.98Å; R358-S362 PolarHBondContact NH2-O 2.66Å; S359-S362 WeakPolarHBondContact O-CB 3.43Å; S359-S362 PolarHBondContact O-N 2.99Å; S359-S362 PolarHBondContact O-OG 3.14Å; S359-S362 PolarHBondContact OG-N 2.79Å; L360-S362 PolarHBondContact O-N 3.21Å; S362-N368 CarbonylContact O-C 3.48Å; S362-N368 WeakPolarHBondContact O-CB 3.25Å; S362-A369 PolarHBondContact O-N 2.79Å |
| 363 | Y | 77.2 | Confident | 72.1 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -84.8 | -17.9 | 175.8 | -70.5 | -97.8 | 0 | 0 | 0 | 112.4 | T353 R358 S359 L360 Q361 A369 D371 M372 F373 | T353-Y363 HydrophobicContact CG2-CE2 3.85Å; R358-Y363 HydrophobicContact CB-CE2 4.13Å; S359-Y363 WeakPolarHBondContact O-CD2 2.93Å; L360-Y363 WeakPolarHBondContact O-CB 3.12Å; L360-Y363 PolarHBondContact O-N 3.12Å; L360-Y363 VanDerWaalsContact O-N 3.11Å; Q361-Y363 PolarHBondContact O-N 3.3Å; Y363-A369 VanDerWaalsContact O-CA 3.25Å; Y363-A369 WeakPolarHBondContact O-CA 2.89Å; Y363-A369 WeakPolarHBondContact O-CB 3.24Å; Y363-D371 HydrophobicContact CD1-CB 4.32Å; Y363-D371 WeakPolarHBondContact CD1-O 3.34Å; Y363-D371 HydrophobicContact CE1-CB 4.32Å; Y363-M372 WeakPolarHBondContact CD1-O 3.45Å; Y363-M372 WeakPolarHBondContact CE1-O 3.42Å; Y363-F373 HydrophobicContact CD1-CD1 4.36Å; Y363-F373 HydrophobicContact CG-CD1 4.09Å; Y363-F373 HydrophobicContact CG-CE1 4.31Å |
| 364 | V | 72.3 | Confident | 72.4 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -17 | -175.2 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | Q361 F373 Y502 E515 | Q361-V364 WeakPolarHBondContact O-CG2 3.35Å; Q361-V364 PolarHBondContact O-N 2.76Å; V364-F373 HydrophobicContact CG1-CE1 4.16Å; V364-F373 HydrophobicContact CG1-CE2 4.22Å; V364-F373 HydrophobicContact CG1-CZ 3.47Å; V364-F373 VanDerWaalsContact CG1-CZ 3.47Å; V364-Y502 HydrophobicContact CB-CD1 4.21Å; V364-Y502 HydrophobicContact CB-CE1 3.66Å; V364-Y502 HydrophobicContact CG1-CD1 3.6Å; V364-Y502 HydrophobicContact CG1-CD2 4.34Å; V364-Y502 HydrophobicContact CG1-CE1 3.56Å; V364-Y502 HydrophobicContact CG1-CE2 4.32Å; V364-Y502 HydrophobicContact CG1-CG 4.01Å; V364-Y502 HydrophobicContact CG2-CE1 4.09Å; V364-Y502 HydrophobicContact CG2-CE2 4.36Å; V364-E515 HydrophobicContact CG1-CB 4.15Å |
| 365 | V | 63.1 | Low | 73 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -126.2 | 136.8 | -179.9 | 175 | 0 | 0 | 0 | 0 | 111.6 | Q361 | Q361-V365 HydrophobicContact CG-CB 4.44Å; Q361-V365 HydrophobicContact CG-CG2 4.36Å; Q361-V365 PolarHBondContact O-N 3.1Å |
| 366 | G | 53.9 | Low | 74 | Confident | 56 Ų | 56 | 42.8 Ų | 42.8 | 58% | 0.577 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 85.7 | -172.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N368 A369 | G366-N368 PolarHBondContact O-N 2.83Å; G366-N368 VanDerWaalsContact O-N 3.11Å; G366-A369 VanDerWaalsContact O-CB 3.29Å; G366-A369 WeakPolarHBondContact O-CB 3.46Å; G366-A369 PolarHBondContact O-N 2.79Å; G366-A369 VanDerWaalsContact O-N 3.08Å |
| 367 | N | 48.6 | Very low | 74.9 | Confident | 94 Ų | 94 | 40 Ų | 40 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -59.3 | -24.7 | -178.8 | -76 | -26.4 | 0 | 0 | 0 | 113.6 | A369 | N367-A369 VanDerWaalsContact C-N 3.27Å; N367-A369 PolarHBondContact O-N 3.13Å |
| 368 | N | 46.7 | Very low | 75.8 | Confident | 91 Ų | 91 | 36.8 Ų | 36.8 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -77.1 | -9.7 | -179.7 | -77.1 | -3.2 | 0 | 0 | 0 | 113.7 | R358 S362 G366 Q370 D371 | R358-N368 PolarHBondContact NH2-O 3.07Å; S362-N368 CarbonylContact O-C 3.48Å; S362-N368 WeakPolarHBondContact O-CB 3.25Å; G366-N368 PolarHBondContact O-N 2.83Å; G366-N368 VanDerWaalsContact O-N 3.11Å; N368-Q370 PolarHBondContact O-N 2.83Å; N368-D371 PolarHBondContact O-N 2.99Å |
| 369 | A | 55.4 | Low | 76.5 | Confident | 29 Ų | 29 | 34.2 Ų | 34.2 | 24% | 0.24 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -70.8 | 11.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | S362 Y363 G366 N367 D371 | S362-A369 PolarHBondContact O-N 2.79Å; Y363-A369 VanDerWaalsContact O-CA 3.25Å; Y363-A369 WeakPolarHBondContact O-CA 2.89Å; Y363-A369 WeakPolarHBondContact O-CB 3.24Å; G366-A369 VanDerWaalsContact O-CB 3.29Å; G366-A369 WeakPolarHBondContact O-CB 3.46Å; G366-A369 PolarHBondContact O-N 2.79Å; G366-A369 VanDerWaalsContact O-N 3.08Å; N367-A369 VanDerWaalsContact C-N 3.27Å; N367-A369 PolarHBondContact O-N 3.13Å; A369-D371 VanDerWaalsContact C-N 3.33Å |
| 370 | Q | 62.4 | Low | 77 | Confident | 89 Ų | 89 | 31.1 Ų | 31.1 | 42% | 0.416 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -83 | -14.6 | 169.7 | -64.3 | -174.5 | 25.4 | 0 | 0 | 112.6 | N368 S435 | N368-Q370 PolarHBondContact O-N 2.83Å; Q370-S435 WeakPolarHBondContact O-CB 3.3Å; Q370-S435 PolarHBondContact O-OG 2.93Å |
| 371 | D | 76.1 | Confident | 77.3 | Confident | 73 Ų | 73 | 30.9 Ų | 30.9 | 39% | 0.39 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -92.1 | 130.6 | 177 | -65.8 | -41.8 | 0 | 0 | 0 | 110 | R358 Y363 N368 A369 | R358-D371 IonicContact CZ-OD2 3.86Å; R358-D371 IonicContact NH1-OD2 2.83Å; R358-D371 PolarHBondContact NH1-OD2 3.38Å; R358-D371 IonicContact NH2-OD2 3.61Å; Y363-D371 HydrophobicContact CD1-CB 4.32Å; Y363-D371 WeakPolarHBondContact CD1-O 3.34Å; Y363-D371 HydrophobicContact CE1-CB 4.32Å; N368-D371 PolarHBondContact O-N 2.99Å; A369-D371 VanDerWaalsContact C-N 3.33Å |
| 372 | M | 85.9 | Confident | 77.8 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 153.2 | 175.2 | 176.1 | -175.3 | 74.8 | 0 | 0 | 110.9 | Y363 N376 I513 | Y363-M372 WeakPolarHBondContact CD1-O 3.45Å; Y363-M372 WeakPolarHBondContact CE1-O 3.42Å; M372-N376 HydrophobicContact CE-CB 3.73Å; M372-N376 VanDerWaalsContact CE-O 3.32Å; M372-N376 WeakPolarHBondContact CE-O 3.5Å; M372-N376 HydrophobicContact CG-CB 3.54Å; M372-N376 VanDerWaalsContact CG-ND2 3.33Å; M372-N376 WeakPolarHBondContact CG-ND2 3.37Å; M372-N376 HydrophobicContact SD-CB 3.3Å; M372-N376 WeakPolarHBondContact SD-CB 3.5Å; M372-I513 HydrophobicContact CB-CB 4.17Å; M372-I513 HydrophobicContact CB-CG2 4.26Å; M372-I513 HydrophobicContact CG-CB 3.84Å; M372-I513 HydrophobicContact CG-CD1 4.48Å; M372-I513 HydrophobicContact CG-CG2 3.57Å; M372-I513 HydrophobicContact SD-CB 3.55Å; M372-I513 VanDerWaalsContact SD-CB 3.55Å; M372-I513 HydrophobicContact SD-CD1 3.16Å; M372-I513 WeakPolarHBondContact SD-CD1 3.27Å; M372-I513 HydrophobicContact SD-CG1 3.86Å; M372-I513 HydrophobicContact SD-CG2 3.67Å |
| 373 | F | 91.4 | Very high | 78 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 139.5 | 170.6 | -71.2 | -57.8 | 0 | 0 | 0 | 112.9 | Y363 V364 W375 N376 E515 | Y363-F373 HydrophobicContact CD1-CD1 4.36Å; Y363-F373 HydrophobicContact CG-CD1 4.09Å; Y363-F373 HydrophobicContact CG-CE1 4.31Å; V364-F373 HydrophobicContact CG1-CE1 4.16Å; V364-F373 HydrophobicContact CG1-CE2 4.22Å; V364-F373 HydrophobicContact CG1-CZ 3.47Å; V364-F373 VanDerWaalsContact CG1-CZ 3.47Å; F373-W375 HydrophobicContact CB-CD2 4.11Å; F373-W375 VanDerWaalsContact CB-CE2 3.44Å; F373-W375 HydrophobicContact CB-CG 4.49Å; F373-W375 HydrophobicContact CB-CH2 4.37Å; F373-W375 HydrophobicContact CB-CZ2 3.59Å; F373-W375 AromaticContact CD1-CH2 3.84Å; F373-W375 HydrophobicContact CD1-CH2 3.84Å; F373-W375 AromaticContact CD1-CZ2 3.45Å; F373-W375 HydrophobicContact CD1-CZ2 3.45Å; F373-W375 VanDerWaalsContact CD1-CZ2 3.45Å; F373-W375 HydrophobicContact CD2-CZ2 4.08Å; F373-W375 HydrophobicContact CE1-CH2 4.41Å; F373-W375 HydrophobicContact CE1-CZ2 4.08Å; F373-W375 AromaticContact CG-CE2 3.8Å; F373-W375 HydrophobicContact CG-CH2 4.26Å; F373-W375 AromaticContact CG-CZ2 3.45Å; F373-W375 HydrophobicContact CG-CZ2 3.45Å; F373-W375 VanDerWaalsContact CG-CZ2 3.45Å; F373-W375 AromaticContact CG-NE1 3.91Å; F373-W375 PolarHBondContact O-N 3.24Å; F373-W375 VanDerWaalsContact O-N 3.11Å; F373-N376 WeakPolarHBondContact O-CB 3.36Å; F373-N376 PolarHBondContact O-N 3.43Å; F373-N376 VanDerWaalsContact O-N 3.08Å; F373-E515 HydrophobicContact CD2-CB 4.44Å; F373-E515 HydrophobicContact CD2-CG 3.67Å; F373-E515 WeakPolarHBondContact CD2-OE1 3.1Å; F373-E515 HydrophobicContact CE2-CB 3.92Å; F373-E515 HydrophobicContact CE2-CG 3.59Å; F373-E515 HydrophobicContact CG-CG 4.43Å; F373-E515 HydrophobicContact CZ-CG 4.3Å; F373-E515 PolarHBondContact N-OE1 2.97Å; F373-E515 VanDerWaalsContact N-OE1 3.08Å |
| 374 | P | 91.8 | Very high | 78.1 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.065 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -5.7 | -169.3 | 28 | -33.5 | 0 | 0 | 0 | 115 | T353 F356 I483 V484 | T353-P374 HydrophobicContact CG2-CG 3.62Å; F356-P374 HydrophobicContact CE2-CB 3.87Å; F356-P374 HydrophobicContact CE2-CG 4.2Å; P374-I483 VanDerWaalsContact O-CA 3.23Å; P374-I483 WeakPolarHBondContact O-CA 3.27Å; P374-I483 WeakPolarHBondContact O-CB 3.38Å; P374-I483 WeakPolarHBondContact O-CG1 3.41Å; P374-I483 VanDerWaalsContact O-CG2 3.31Å; P374-I483 WeakPolarHBondContact O-CG2 3.42Å; P374-V484 PolarHBondContact O-N 2.97Å |
| 375 | W | 95.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -9.9 | 172.3 | 42.9 | 77.7 | 0 | 0 | 0 | 113.2 | T353 L360 F373 S392 L393 V484 V486 V558 A565 | T353-W375 HydrophobicContact CG2-CZ3 4.39Å; L360-W375 HydrophobicContact CD2-CH2 3.63Å; L360-W375 HydrophobicContact CD2-CZ3 4.12Å; F373-W375 HydrophobicContact CB-CD2 4.11Å; F373-W375 VanDerWaalsContact CB-CE2 3.44Å; F373-W375 HydrophobicContact CB-CG 4.49Å; F373-W375 HydrophobicContact CB-CH2 4.37Å; F373-W375 HydrophobicContact CB-CZ2 3.59Å; F373-W375 AromaticContact CD1-CH2 3.84Å; F373-W375 HydrophobicContact CD1-CH2 3.84Å; F373-W375 AromaticContact CD1-CZ2 3.45Å; F373-W375 HydrophobicContact CD1-CZ2 3.45Å; F373-W375 VanDerWaalsContact CD1-CZ2 3.45Å; F373-W375 HydrophobicContact CD2-CZ2 4.08Å; F373-W375 HydrophobicContact CE1-CH2 4.41Å; F373-W375 HydrophobicContact CE1-CZ2 4.08Å; F373-W375 AromaticContact CG-CE2 3.8Å; F373-W375 HydrophobicContact CG-CH2 4.26Å; F373-W375 AromaticContact CG-CZ2 3.45Å; F373-W375 HydrophobicContact CG-CZ2 3.45Å; F373-W375 VanDerWaalsContact CG-CZ2 3.45Å; F373-W375 AromaticContact CG-NE1 3.91Å; F373-W375 PolarHBondContact O-N 3.24Å; F373-W375 VanDerWaalsContact O-N 3.11Å; W375-S392 CarbonylContact O-C 3.45Å; W375-S392 WeakPolarHBondContact O-CA 3.08Å; W375-L393 PolarHBondContact O-N 2.98Å; W375-V484 WeakPolarHBondContact CB-O 3.36Å; W375-V486 HydrophobicContact CB-CB 4.16Å; W375-V486 HydrophobicContact CB-CG1 4.46Å; W375-V486 HydrophobicContact CD2-CB 3.72Å; W375-V486 HydrophobicContact CD2-CG2 4.21Å; W375-V486 HydrophobicContact CE3-CB 4.02Å; W375-V486 HydrophobicContact CE3-CG2 4.46Å; W375-V486 HydrophobicContact CG-CB 3.78Å; W375-V486 HydrophobicContact CG-CG1 4.28Å; W375-V558 HydrophobicContact CZ2-CG1 3.82Å; W375-V558 HydrophobicContact CZ2-CG2 4.47Å; W375-A565 HydrophobicContact CH2-CB 3.26Å; W375-A565 HydrophobicContact CZ2-CB 3.8Å; W375-A565 HydrophobicContact CZ3-CB 3.87Å |
| 376 | N | 95.2 | Very high | 79.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 139.6 | -175.4 | -74.7 | -13 | 0 | 0 | 0 | 111.2 | M372 F373 S504 E515 P556 | M372-N376 HydrophobicContact CE-CB 3.73Å; M372-N376 VanDerWaalsContact CE-O 3.32Å; M372-N376 WeakPolarHBondContact CE-O 3.5Å; M372-N376 HydrophobicContact CG-CB 3.54Å; M372-N376 VanDerWaalsContact CG-ND2 3.33Å; M372-N376 WeakPolarHBondContact CG-ND2 3.37Å; M372-N376 HydrophobicContact SD-CB 3.3Å; M372-N376 WeakPolarHBondContact SD-CB 3.5Å; F373-N376 WeakPolarHBondContact O-CB 3.36Å; F373-N376 PolarHBondContact O-N 3.43Å; F373-N376 VanDerWaalsContact O-N 3.08Å; N376-S504 WeakPolarHBondContact ND2-CB 3.45Å; N376-S504 PolarHBondContact ND2-OG 3.12Å; N376-E515 PolarHBondContact ND2-OE1 3.19Å; N376-E515 VanDerWaalsContact ND2-OE1 3.08Å; N376-P556 WeakPolarHBondContact OD1-CG 3.15Å |
| 377 | V | 95.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.4 | 177 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | L390 G391 I409 V430 F431 A432 | V377-L390 CarbonylContact O-C 3.49Å; V377-L390 WeakPolarHBondContact O-CA 3.34Å; V377-G391 VanDerWaalsContact CG2-C 3.45Å; V377-G391 PolarHBondContact N-O 3.35Å; V377-G391 PolarHBondContact O-N 3.01Å; V377-I409 HydrophobicContact CG2-CD1 4.06Å; V377-I409 HydrophobicContact CG2-CG1 4.25Å; V377-I409 HydrophobicContact CG2-CG2 3.81Å; V377-V430 HydrophobicContact CB-CG1 3.73Å; V377-V430 HydrophobicContact CG1-CG1 4.13Å; V377-V430 HydrophobicContact CG2-CG1 4.04Å; V377-F431 CarbonylContact C-O 3.48Å; V377-F431 WeakPolarHBondContact CA-O 3.11Å; V377-A432 HydrophobicContact CG1-CB 3.81Å |
| 378 | I | 93.3 | Very high | 83.1 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.1 | 176.1 | -61.7 | 174.2 | 0 | 0 | 0 | 108.7 | I380 I387 V430 F431 F437 I513 | I378-I380 HydrophobicContact CG2-CG2 3.78Å; I378-I387 HydrophobicContact CG2-CB 4.35Å; I378-I387 HydrophobicContact CG2-CD1 4.26Å; I378-I387 HydrophobicContact CG2-CG1 3.94Å; I378-I387 HydrophobicContact CG2-CG2 3.7Å; I378-V430 WeakPolarHBondContact O-CA 3.2Å; I378-F431 HydrophobicContact CB-CB 4.39Å; I378-F431 PolarHBondContact N-O 2.87Å; I378-F431 PolarHBondContact O-N 3.48Å; I378-F437 HydrophobicContact CD1-CB 3.32Å; I378-F437 HydrophobicContact CD1-CD1 3.85Å; I378-F437 HydrophobicContact CD1-CD2 4.1Å; I378-F437 HydrophobicContact CD1-CG 3.48Å; I378-F437 VanDerWaalsContact CD1-CG 3.48Å; I378-F437 HydrophobicContact CG2-CD1 4.4Å; I378-F437 HydrophobicContact CG2-CE1 4.37Å; I378-I513 HydrophobicContact CD1-CD1 3.59Å; I378-I513 HydrophobicContact CD1-CG1 4.37Å; I378-I513 HydrophobicContact CG1-CD1 3.47Å; I378-I513 VanDerWaalsContact CG1-CD1 3.47Å |
| 379 | I | 92.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.9 | 175.7 | -57.4 | 167.7 | 0 | 0 | 0 | 108.1 | R388 C389 T411 F416 F428 L429 V430 L471 | I379-R388 PolarHBondContact O-N 2.87Å; I379-C389 HydrophobicContact CB-CB 4.38Å; I379-C389 HydrophobicContact CD1-CB 4.38Å; I379-C389 PolarHBondContact N-O 2.68Å; I379-C389 PolarHBondContact O-N 3.15Å; I379-T411 HydrophobicContact CD1-CG2 3.7Å; I379-F416 HydrophobicContact CD1-CZ 4.38Å; I379-F416 HydrophobicContact CG2-CE1 4.29Å; I379-F416 HydrophobicContact CG2-CZ 4.34Å; I379-F428 HydrophobicContact CG2-CB 4.37Å; I379-F428 HydrophobicContact CG2-CD1 3.98Å; I379-L429 WeakPolarHBondContact CA-O 3.37Å; I379-V430 HydrophobicContact CG1-CG2 4.49Å; I379-L471 HydrophobicContact CD1-CD1 3.82Å |
| 380 | I | 90.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 148.2 | -179.9 | 71.1 | 164.4 | 0 | 0 | 0 | 111.5 | I378 T386 I387 F428 L429 F431 F437 | I378-I380 HydrophobicContact CG2-CG2 3.78Å; I380-T386 WeakPolarHBondContact CA-O 3.24Å; I380-I387 HydrophobicContact CG2-CG1 4.23Å; I380-F428 VanDerWaalsContact O-CA 3.31Å; I380-F428 WeakPolarHBondContact O-CA 3.41Å; I380-F428 WeakPolarHBondContact O-CD1 3.43Å; I380-L429 HydrophobicContact CD1-CB 4.26Å; I380-L429 HydrophobicContact CD1-CD1 4.34Å; I380-L429 HydrophobicContact CG1-CB 3.77Å; I380-L429 PolarHBondContact N-O 2.94Å; I380-L429 PolarHBondContact O-N 3Å; I380-F431 HydrophobicContact CD1-CD2 3.94Å; I380-F431 HydrophobicContact CD1-CE2 3.33Å; I380-F431 HydrophobicContact CD1-CZ 4.22Å; I380-F431 HydrophobicContact CG1-CD2 4.07Å; I380-F431 HydrophobicContact CG1-CE2 3.84Å; I380-F431 HydrophobicContact CG2-CD2 4.38Å; I380-F437 HydrophobicContact CG2-CE1 4.05Å; I380-F437 HydrophobicContact CG2-CZ 3.86Å |
| 381 | S | 87.4 | Confident | 88.9 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 128.1 | 166.5 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | K383 M384 G385 T386 | S381-K383 VanDerWaalsContact C-N 3.33Å; S381-K383 PolarHBondContact OG-N 3.11Å; S381-M384 PolarHBondContact OG-N 2.66Å; S381-G385 WeakPolarHBondContact O-CA 3.32Å; S381-G385 PolarHBondContact O-N 2.04Å; S381-T386 PolarHBondContact N-O 3.47Å |
| 382 | K | 84.1 | Confident | 89.9 | Confident | 74 Ų | 74 | 26.1 Ų | 26.1 | 32% | 0.322 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -40.9 | 174.3 | -69.1 | -171 | -161.5 | 154.4 | 0 | 111.8 | P426 H427 F428 L429 | K382-P426 VanDerWaalsContact CD-O 3.27Å; K382-P426 WeakPolarHBondContact CD-O 3.34Å; K382-P426 WeakPolarHBondContact CE-O 3.48Å; K382-P426 PolarHBondContact NZ-O 2.78Å; K382-H427 PolarHBondContact N-O 2.99Å; K382-F428 WeakPolarHBondContact CE-O 3.34Å; K382-L429 HydrophobicContact CD-CD1 4.21Å; K382-L429 HydrophobicContact CD-CD2 4.47Å; K382-L429 HydrophobicContact CD-CG 4Å; K382-L429 VanDerWaalsContact CE-CD2 3.47Å; K382-L429 VanDerWaalsContact CE-CG 3.4Å; K382-L429 HydrophobicContact CG-CD1 3.77Å; K382-L429 HydrophobicContact CG-CG 3.69Å |
| 383 | K | 80.2 | Confident | 90.4 | Very high | 179 Ų | 179 | 25.4 Ų | 25.4 | 78% | 0.778 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -48 | -175.2 | -171.9 | 178 | -178.6 | 178.4 | 0 | 112.2 | S381 | S381-K383 VanDerWaalsContact C-N 3.33Å; S381-K383 PolarHBondContact OG-N 3.11Å |
| 384 | M | 79.3 | Confident | 90.6 | Very high | 114 Ų | 114 | 25.4 Ų | 25.4 | 56% | 0.562 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -20.9 | -179.2 | -76.7 | 174.7 | 41.4 | 0 | 0 | 113.1 | S381 T386 | S381-M384 PolarHBondContact OG-N 2.66Å; M384-T386 HydrophobicContact CB-CG2 4.25Å; M384-T386 HydrophobicContact CE-CG2 4.21Å; M384-T386 WeakPolarHBondContact CE-OG1 3.46Å; M384-T386 PolarHBondContact O-N 2.87Å; M384-T386 VanDerWaalsContact O-N 3.15Å |
| 385 | G | 79.2 | Confident | 90.7 | Very high | 15 Ų | 15 | 25.8 Ų | 25.8 | 16% | 0.155 | 12% | 0.124 | C | C | . | . | trans | 66.8 | 7.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S381 | S381-G385 WeakPolarHBondContact O-CA 3.32Å; S381-G385 PolarHBondContact O-N 2.04Å | ||
| 386 | T | 85.2 | Confident | 90.3 | Very high | 48 Ų | 48 | 29.3 Ų | 29.3 | 29% | 0.294 | 14% | 0.142 | S | C | . | . | trans | -93.3 | 151.8 | -178.5 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | I380 S381 M384 R388 | I380-T386 WeakPolarHBondContact CA-O 3.24Å; S381-T386 PolarHBondContact N-O 3.47Å; M384-T386 HydrophobicContact CB-CG2 4.25Å; M384-T386 HydrophobicContact CE-CG2 4.21Å; M384-T386 WeakPolarHBondContact CE-OG1 3.46Å; M384-T386 PolarHBondContact O-N 2.87Å; M384-T386 VanDerWaalsContact O-N 3.15Å; T386-R388 PolarHBondContact O-N 3.46Å | ||
| 387 | I | 89.2 | Confident | 89.9 | Confident | 19 Ų | 19 | 30.8 Ų | 30.8 | 10% | 0.097 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.7 | 172.8 | -58.9 | 173.7 | 0 | 0 | 0 | 108.2 | I378 I380 F437 Y506 I551 | I378-I387 HydrophobicContact CG2-CB 4.35Å; I378-I387 HydrophobicContact CG2-CD1 4.26Å; I378-I387 HydrophobicContact CG2-CG1 3.94Å; I378-I387 HydrophobicContact CG2-CG2 3.7Å; I380-I387 HydrophobicContact CG2-CG1 4.23Å; I387-F437 HydrophobicContact CD1-CD1 3.6Å; I387-F437 HydrophobicContact CD1-CE1 3.86Å; I387-F437 HydrophobicContact CG1-CD1 4.02Å; I387-F437 HydrophobicContact CG1-CE1 3.75Å; I387-Y506 HydrophobicContact CD1-CD1 3.79Å; I387-Y506 HydrophobicContact CD1-CD2 3.83Å; I387-Y506 HydrophobicContact CD1-CE1 3.39Å; I387-Y506 HydrophobicContact CD1-CE2 3.44Å; I387-Y506 VanDerWaalsContact CD1-CE2 3.44Å; I387-Y506 HydrophobicContact CD1-CG 3.98Å; I387-I551 HydrophobicContact CB-CD1 3.91Å; I387-I551 HydrophobicContact CG2-CD1 3.85Å |
| 388 | R | 89.9 | Confident | 89.4 | Confident | 64 Ų | 64 | 35.2 Ų | 35.2 | 24% | 0.242 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -49.2 | 179 | -170.4 | 66.3 | 176.3 | 159.7 | 5.5 | 110.8 | I379 T386 C415 F428 | I379-R388 PolarHBondContact O-N 2.87Å; T386-R388 PolarHBondContact O-N 3.46Å; R388-C415 HydrophobicContact CG-CB 4.48Å; R388-C415 WeakPolarHBondContact CG-O 3.45Å; R388-C415 PolarHBondContact NE-O 2.83Å; R388-C415 VanDerWaalsContact NE-O 3.12Å; R388-F428 HydrophobicContact CB-CE1 4.41Å; R388-F428 HydrophobicContact CG-CE1 4.25Å |
| 389 | C | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 166 | -172.7 | -73.3 | 0 | 0 | 0 | 0 | 112.5 | I379 C415 L553 | I379-C389 HydrophobicContact CB-CB 4.38Å; I379-C389 HydrophobicContact CD1-CB 4.38Å; I379-C389 PolarHBondContact N-O 2.68Å; I379-C389 PolarHBondContact O-N 3.15Å; C389-C415 HydrophobicContact CB-CB 3.91Å; C389-C415 WeakPolarHBondContact CB-SG 3.36Å; C389-C415 WeakPolarHBondContact SG-CA 3.42Å; C389-C415 WeakPolarHBondContact SG-CB 3.33Å; C389-C415 CovalentContact SG-SG 2Å; C389-C415 PolarHBondContact SG-SG 2.89Å; C389-L553 WeakPolarHBondContact CA-O 3.42Å; C389-L553 WeakPolarHBondContact CB-O 3.31Å; C389-L553 VanDerWaalsContact SG-CD2 3.57Å |
| 390 | L | 95.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 168.4 | 160.6 | -72.2 | 123.7 | 0 | 0 | 0 | 110.2 | V377 T411 I513 I551 L553 G554 S555 | V377-L390 CarbonylContact O-C 3.49Å; V377-L390 WeakPolarHBondContact O-CA 3.34Å; L390-T411 PolarHBondContact O-OG1 3.11Å; L390-I513 HydrophobicContact CD2-CD1 3.39Å; L390-I513 HydrophobicContact CD2-CG1 3.93Å; L390-I513 HydrophobicContact CD2-CG2 4.21Å; L390-I551 WeakPolarHBondContact CD1-O 3.43Å; L390-L553 PolarHBondContact N-O 2.77Å; L390-G554 CarbonylContact O-C 3.55Å; L390-G554 WeakPolarHBondContact O-CA 3.4Å; L390-S555 VanDerWaalsContact CD1-OG 3.26Å; L390-S555 WeakPolarHBondContact CD1-OG 3.41Å |
| 391 | G | 96.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | -178.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V377 L410 | V377-G391 VanDerWaalsContact CG2-C 3.45Å; V377-G391 PolarHBondContact N-O 3.35Å; V377-G391 PolarHBondContact O-N 3.01Å; G391-L410 CarbonylContact C-O 3.39Å; G391-L410 VanDerWaalsContact CA-O 3.24Å; G391-L410 WeakPolarHBondContact CA-O 3.4Å |
| 392 | S | 97.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 131.4 | -176.1 | 42.3 | 0 | 0 | 0 | 0 | 110.7 | W375 I409 L410 Q567 | W375-S392 CarbonylContact O-C 3.45Å; W375-S392 WeakPolarHBondContact O-CA 3.08Å; S392-I409 CarbonylContact O-C 3.5Å; S392-I409 VanDerWaalsContact O-CA 3.25Å; S392-I409 WeakPolarHBondContact O-CA 3.24Å; S392-L410 PolarHBondContact N-O 2.51Å; S392-L410 PolarHBondContact O-N 2.97Å; S392-L410 PolarHBondContact OG-O 2.05Å; S392-Q567 PolarHBondContact OG-NE2 3.15Å; S392-Q567 PolarHBondContact OG-OE1 3.32Å |
| 393 | L | 96.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124 | 171.4 | -165.3 | 78.1 | 0 | 0 | 0 | 109.6 | W375 S406 I408 I409 L473 L477 I483 P485 V486 | W375-L393 PolarHBondContact O-N 2.98Å; L393-S406 WeakPolarHBondContact CD1-O 3.39Å; L393-I408 WeakPolarHBondContact CA-O 3.38Å; L393-I408 WeakPolarHBondContact CD1-O 3.46Å; L393-I409 HydrophobicContact CD1-CG1 3.88Å; L393-L473 HydrophobicContact CD1-CD1 4.44Å; L393-L477 HydrophobicContact CD1-CD1 4.46Å; L393-L477 HydrophobicContact CD2-CB 3.99Å; L393-I483 HydrophobicContact CB-CG2 4.49Å; L393-I483 HydrophobicContact CD2-CG2 3.38Å; L393-P485 HydrophobicContact CD2-CB 4.18Å; L393-P485 HydrophobicContact CG-CB 4.24Å; L393-P485 CarbonylContact O-C 3.58Å; L393-P485 VanDerWaalsContact O-CA 3.26Å; L393-P485 WeakPolarHBondContact O-CA 3.16Å; L393-V486 PolarHBondContact O-N 2.96Å |
| 394 | V | 95.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 149.9 | -172.9 | -62 | 0 | 0 | 0 | 0 | 112.6 | S406 I408 L410 V486 L488 Q567 | V394-S406 WeakPolarHBondContact O-CB 3.13Å; V394-S406 PolarHBondContact O-OG 3.24Å; V394-I408 HydrophobicContact CG2-CB 4.1Å; V394-I408 HydrophobicContact CG2-CG2 3.7Å; V394-I408 PolarHBondContact N-O 2.89Å; V394-L410 HydrophobicContact CB-CD1 4.48Å; V394-L410 HydrophobicContact CB-CG 4.48Å; V394-L410 HydrophobicContact CG1-CB 4.43Å; V394-L410 HydrophobicContact CG1-CD1 3.68Å; V394-L410 HydrophobicContact CG1-CG 3.77Å; V394-L410 HydrophobicContact CG2-CD1 4.2Å; V394-L410 HydrophobicContact CG2-CD2 4.41Å; V394-L410 HydrophobicContact CG2-CG 3.87Å; V394-V486 HydrophobicContact CG1-CG1 3.86Å; V394-L488 HydrophobicContact CB-CD2 3.99Å; V394-L488 HydrophobicContact CG1-CD2 3.94Å; V394-Q567 VanDerWaalsContact CG1-OE1 3.23Å |
| 395 | H | 93.6 | Very high | 89 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 113.4 | 168.7 | 177.6 | 52.4 | 0 | 0 | 0 | 110.1 | C350 G397 N398 V403 P485 V486 | C350-H395 HydrophobicContact CB-CB 3.54Å; H395-G397 PolarHBondContact O-N 3.34Å; H395-N398 PolarHBondContact NE2-O 2.79Å; H395-V403 HydrophobicContact CB-CG2 4.48Å; H395-V403 WeakPolarHBondContact CE1-CG2 3.27Å; H395-V403 WeakPolarHBondContact ND1-CG2 3.36Å; H395-V403 WeakPolarHBondContact NE2-CG2 3.24Å; H395-P485 HydrophobicContact CB-CB 4.22Å; H395-P485 HydrophobicContact CB-CG 4.22Å; H395-V486 PolarHBondContact N-O 3.1Å |
| 396 | N | 88 | Confident | 89.8 | Confident | 74 Ų | 74 | 40.5 Ų | 40.5 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | trans | -87.8 | 76.4 | 174.4 | -174.9 | 32.8 | 0 | 0 | 0 | 110.5 | I408 L600 | N396-I408 HydrophobicContact CB-CD1 3.99Å; N396-L600 HydrophobicContact CB-CD1 4.15Å | ||
| 397 | G | 85.3 | Confident | 90.2 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 33% | 0.33 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -177.7 | -169.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | H395 | H395-G397 PolarHBondContact O-N 3.34Š|
| 398 | N | 85.7 | Confident | 90.5 | Very high | 93 Ų | 93 | 40.8 Ų | 40.8 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | trans | -66.8 | 130.4 | 178.6 | -173.5 | -36.6 | 0 | 0 | 0 | 109.8 | H395 Q400 Q401 | H395-N398 PolarHBondContact NE2-O 2.79Å; N398-Q400 PolarHBondContact O-N 2.65Å; N398-Q400 VanDerWaalsContact O-N 3.15Å; N398-Q400 WeakPolarHBondContact OD1-CB 3.08Å; N398-Q400 PolarHBondContact OD1-N 3.05Å; N398-Q400 PolarHBondContact OD1-OE1 2.94Å; N398-Q401 VanDerWaalsContact O-CB 3.24Å; N398-Q401 WeakPolarHBondContact O-CB 3.17Å; N398-Q401 PolarHBondContact O-N 3.14Å | ||
| 399 | P | 85.9 | Confident | 90.8 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 16% | 0.156 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.9 | 177.9 | -24.9 | 34.3 | 0 | 0 | 0 | 115 | Q401 R564 Y566 | P399-Q401 VanDerWaalsContact C-N 3.3Å; P399-R564 PolarHBondContact O-NH1 3.03Å; P399-Y566 HydrophobicContact CB-CE1 4.42Å; P399-Y566 HydrophobicContact CG-CE1 4.16Å |
| 400 | Q | 83.9 | Confident | 90.9 | Very high | 135 Ų | 135 | 37.8 Ų | 37.8 | 63% | 0.631 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.4 | 178.3 | -73.1 | 75.4 | -0.4 | 0 | 0 | 113 | Y349 N398 | Y349-Q400 VanDerWaalsContact CE1-O 3.27Å; Y349-Q400 WeakPolarHBondContact CE1-O 3.43Å; N398-Q400 PolarHBondContact O-N 2.65Å; N398-Q400 VanDerWaalsContact O-N 3.15Å; N398-Q400 WeakPolarHBondContact OD1-CB 3.08Å; N398-Q400 PolarHBondContact OD1-N 3.05Å; N398-Q400 PolarHBondContact OD1-OE1 2.94Å |
| 401 | Q | 88.2 | Confident | 90.9 | Very high | 102 Ų | 102 | 37.8 Ų | 37.8 | 48% | 0.477 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -77.1 | 143 | 176.4 | -170.5 | -179.6 | 4.3 | 0 | 0 | 110.9 | Y349 N398 P399 V403 | Y349-Q401 WeakPolarHBondContact CD1-O 3.43Å; N398-Q401 VanDerWaalsContact O-CB 3.24Å; N398-Q401 WeakPolarHBondContact O-CB 3.17Å; N398-Q401 PolarHBondContact O-N 3.14Å; P399-Q401 VanDerWaalsContact C-N 3.3Å; Q401-V403 WeakPolarHBondContact O-CG2 3.3Å |
| 402 | T | 86.4 | Confident | 90.8 | Very high | 79 Ų | 79 | 37.8 Ų | 37.8 | 49% | 0.485 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -74.9 | 131.4 | 171.4 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | P347 V348 Y349 | P347-T402 HydrophobicContact CB-CG2 3.54Å; V348-T402 CarbonylContact O-C 3.57Å; V348-T402 VanDerWaalsContact O-CA 3.22Å; V348-T402 WeakPolarHBondContact O-CA 3.44Å; Y349-T402 HydrophobicContact CE1-CG2 3.88Å |
| 403 | V | 85.4 | Confident | 90.5 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | trans | -128 | 116.3 | -172.3 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | V348 H395 Q401 G405 P485 | V348-V403 VanDerWaalsContact CB-O 3.31Å; V348-V403 WeakPolarHBondContact CB-O 3.29Å; V348-V403 WeakPolarHBondContact CG1-O 3.4Å; V348-V403 PolarHBondContact O-N 2.89Å; H395-V403 HydrophobicContact CB-CG2 4.48Å; H395-V403 WeakPolarHBondContact CE1-CG2 3.27Å; H395-V403 WeakPolarHBondContact ND1-CG2 3.36Å; H395-V403 WeakPolarHBondContact NE2-CG2 3.24Å; Q401-V403 WeakPolarHBondContact O-CG2 3.3Å; V403-G405 WeakPolarHBondContact CG1-O 3.32Å; V403-P485 HydrophobicContact CG1-CG 3.74Å | ||
| 404 | N | 82.3 | Confident | 90.3 | Very high | 121 Ų | 121 | 40.4 Ų | 40.4 | 65% | 0.647 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -88.1 | -17.3 | 179.9 | -73.7 | -32.7 | 0 | 0 | 0 | 113.7 | R479 | N404-R479 PolarHBondContact O-N 2.84Š|
| 405 | G | 86.9 | Confident | 90 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 24% | 0.237 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | V403 L477 | V403-G405 WeakPolarHBondContact CG1-O 3.32Å; G405-L477 CarbonylContact C-O 3.35Å; G405-L477 WeakPolarHBondContact CA-O 3.12Å |
| 406 | S | 94.2 | Very high | 89.6 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 153.1 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 109.9 | L393 V394 I408 P476 L477 | L393-S406 WeakPolarHBondContact CD1-O 3.39Å; V394-S406 WeakPolarHBondContact O-CB 3.13Å; V394-S406 PolarHBondContact O-OG 3.24Å; S406-I408 PolarHBondContact OG-N 2.83Å; S406-I408 VanDerWaalsContact OG-N 3.14Å; S406-P476 WeakPolarHBondContact O-CA 3.25Å; S406-L477 PolarHBondContact N-O 2.88Å; S406-L477 VanDerWaalsContact N-O 3.12Å; S406-L477 PolarHBondContact O-N 2.91Å |
| 407 | D | 94.6 | Very high | 88.9 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 24% | 0.235 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 5.6 | 174.6 | 62.7 | -25.4 | 0 | 0 | 0 | 112.3 | K472 L473 P476 | D407-K472 CarbonylContact O-C 3.09Å; D407-K472 WeakPolarHBondContact O-CA 3.22Å; D407-K472 WeakPolarHBondContact OD2-CE 3.47Å; D407-L473 HydrophobicContact CB-CB 4.17Å; D407-L473 PolarHBondContact O-N 2.64Å; D407-P476 HydrophobicContact CB-CB 4.25Å |
| 408 | I | 95.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 43 Ų | 43 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.9 | -173.7 | -55.4 | 172.9 | 0 | 0 | 0 | 110.4 | L393 V394 N396 S406 V470 L471 L600 | L393-I408 WeakPolarHBondContact CA-O 3.38Å; L393-I408 WeakPolarHBondContact CD1-O 3.46Å; V394-I408 HydrophobicContact CG2-CB 4.1Å; V394-I408 HydrophobicContact CG2-CG2 3.7Å; V394-I408 PolarHBondContact N-O 2.89Å; N396-I408 HydrophobicContact CB-CD1 3.99Å; S406-I408 PolarHBondContact OG-N 2.83Å; S406-I408 VanDerWaalsContact OG-N 3.14Å; I408-V470 HydrophobicContact CG2-CG1 3.91Å; I408-L471 WeakPolarHBondContact CA-O 3.23Å; I408-L600 HydrophobicContact CD1-CD2 4.04Å; I408-L600 HydrophobicContact CG2-CD2 4.07Å |
| 409 | I | 96.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.1 | 176 | -66.2 | 161.6 | 0 | 0 | 0 | 110.6 | V377 S392 L393 V430 V470 L471 L473 | V377-I409 HydrophobicContact CG2-CD1 4.06Å; V377-I409 HydrophobicContact CG2-CG1 4.25Å; V377-I409 HydrophobicContact CG2-CG2 3.81Å; S392-I409 CarbonylContact O-C 3.5Å; S392-I409 VanDerWaalsContact O-CA 3.25Å; S392-I409 WeakPolarHBondContact O-CA 3.24Å; L393-I409 HydrophobicContact CD1-CG1 3.88Å; I409-V430 HydrophobicContact CD1-CB 4.34Å; I409-V430 HydrophobicContact CD1-CG1 3.64Å; I409-V430 HydrophobicContact CD1-CG2 3.96Å; I409-V470 WeakPolarHBondContact O-CA 3.33Å; I409-L471 HydrophobicContact CB-CB 4.18Å; I409-L471 HydrophobicContact CB-CD1 4.48Å; I409-L471 HydrophobicContact CG2-CD1 4.19Å; I409-L471 PolarHBondContact N-O 2.69Å; I409-L471 PolarHBondContact O-N 3.04Å; I409-L473 HydrophobicContact CD1-CD1 3.9Å; I409-L473 HydrophobicContact CD1-CD2 3.58Å; I409-L473 HydrophobicContact CD1-CG 3.83Å |
| 410 | L | 96.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.8 | 167 | -57 | -174.3 | 0 | 0 | 0 | 110.9 | G391 S392 V394 V470 L488 V570 I593 A596 | G391-L410 CarbonylContact C-O 3.39Å; G391-L410 VanDerWaalsContact CA-O 3.24Å; G391-L410 WeakPolarHBondContact CA-O 3.4Å; S392-L410 PolarHBondContact N-O 2.51Å; S392-L410 PolarHBondContact O-N 2.97Å; S392-L410 PolarHBondContact OG-O 2.05Å; V394-L410 HydrophobicContact CB-CD1 4.48Å; V394-L410 HydrophobicContact CB-CG 4.48Å; V394-L410 HydrophobicContact CG1-CB 4.43Å; V394-L410 HydrophobicContact CG1-CD1 3.68Å; V394-L410 HydrophobicContact CG1-CG 3.77Å; V394-L410 HydrophobicContact CG2-CD1 4.2Å; V394-L410 HydrophobicContact CG2-CD2 4.41Å; V394-L410 HydrophobicContact CG2-CG 3.87Å; L410-V470 HydrophobicContact CD2-CB 4.42Å; L410-V470 HydrophobicContact CD2-CG1 4.29Å; L410-V470 HydrophobicContact CD2-CG2 3.79Å; L410-L488 HydrophobicContact CD1-CD2 4.49Å; L410-V570 HydrophobicContact CB-CG2 4.17Å; L410-I593 HydrophobicContact CD1-CD1 3.28Å; L410-A596 HydrophobicContact CD1-CB 3.81Å; L410-A596 HydrophobicContact CD2-CB 3.85Å |
| 411 | T | 95.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | -176.5 | 176.2 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | I379 L390 C415 F416 I468 A469 L471 | I379-T411 HydrophobicContact CD1-CG2 3.7Å; L390-T411 PolarHBondContact O-OG1 3.11Å; T411-C415 PolarHBondContact OG1-SG 3.48Å; T411-F416 HydrophobicContact CG2-CE2 3.76Å; T411-F416 HydrophobicContact CG2-CZ 4.25Å; T411-I468 WeakPolarHBondContact O-CA 3.46Å; T411-I468 WeakPolarHBondContact O-CG2 3.43Å; T411-A469 HydrophobicContact CG2-CB 3.94Å; T411-A469 PolarHBondContact N-O 3.06Å; T411-A469 PolarHBondContact O-N 2.98Å; T411-L471 HydrophobicContact CG2-CD1 4.04Å; T411-L471 HydrophobicContact CG2-CG 4.28Å |
| 412 | A | 94.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 140.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E414 C415 L553 L572 | A412-E414 PolarHBondContact O-N 2.91Å; A412-C415 WeakPolarHBondContact O-CB 3.42Å; A412-C415 PolarHBondContact O-N 2.88Å; A412-C415 PolarHBondContact O-SG 2.98Å; A412-L553 HydrophobicContact CB-CD1 3.64Å; A412-L553 HydrophobicContact CB-CG 3.91Å; A412-L572 HydrophobicContact CB-CD2 3.73Å |
| 413 | A | 90.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -61.4 | -32.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C415 F416 I454 R466 G467 | A413-C415 PolarHBondContact O-N 2.91Å; A413-C415 VanDerWaalsContact O-N 3.15Å; A413-F416 PolarHBondContact O-N 3.18Å; A413-I454 HydrophobicContact CB-CG2 3.38Å; A413-R466 HydrophobicContact CB-CB 3.83Å; A413-G467 VanDerWaalsContact CB-O 3.25Å; A413-G467 WeakPolarHBondContact CB-O 3.45Å; A413-G467 PolarHBondContact N-O 3.17Å |
| 414 | E | 90.8 | Very high | 81.5 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -62.5 | -19.7 | 178.6 | -171.9 | 64.1 | -159.1 | 0 | 0 | 113 | A412 F416 G417 R466 L553 | A412-E414 PolarHBondContact O-N 2.91Å; E414-F416 PolarHBondContact O-N 3.39Å; E414-F416 VanDerWaalsContact O-N 3.15Å; E414-G417 PolarHBondContact O-N 2.91Å; E414-R466 HydrophobicContact CB-CB 4.45Å; E414-R466 IonicContact OE1-NH1 2.66Å; E414-R466 VanDerWaalsContact OE2-CD 3.22Å; E414-R466 WeakPolarHBondContact OE2-CD 3.28Å; E414-R466 IonicContact OE2-CZ 2.98Å; E414-R466 IonicContact OE2-NE 2.87Å; E414-R466 IonicContact OE2-NH1 2.66Å; E414-R466 PolarHBondContact OE2-NH1 2.77Å; E414-L553 HydrophobicContact CB-CD1 4.34Å; E414-L553 HydrophobicContact CB-CD2 4.12Å; E414-L553 HydrophobicContact CG-CD2 4.15Å |
| 415 | C | 89.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -54.4 | -34.2 | 171.9 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | R388 C389 T411 A412 A413 | R388-C415 HydrophobicContact CG-CB 4.48Å; R388-C415 WeakPolarHBondContact CG-O 3.45Å; R388-C415 PolarHBondContact NE-O 2.83Å; R388-C415 VanDerWaalsContact NE-O 3.12Å; C389-C415 HydrophobicContact CB-CB 3.91Å; C389-C415 WeakPolarHBondContact CB-SG 3.36Å; C389-C415 WeakPolarHBondContact SG-CA 3.42Å; C389-C415 WeakPolarHBondContact SG-CB 3.33Å; C389-C415 CovalentContact SG-SG 2Å; C389-C415 PolarHBondContact SG-SG 2.89Å; T411-C415 PolarHBondContact OG1-SG 3.48Å; A412-C415 WeakPolarHBondContact O-CB 3.42Å; A412-C415 PolarHBondContact O-N 2.88Å; A412-C415 PolarHBondContact O-SG 2.98Å; A413-C415 PolarHBondContact O-N 2.91Å; A413-C415 VanDerWaalsContact O-N 3.15Å |
| 416 | F | 86.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -111.5 | 13.6 | -173.7 | -49.1 | -68.9 | 0 | 0 | 0 | 113 | I379 T411 A413 E414 R418 Y419 M420 V424 F428 I454 A469 L471 | I379-F416 HydrophobicContact CD1-CZ 4.38Å; I379-F416 HydrophobicContact CG2-CE1 4.29Å; I379-F416 HydrophobicContact CG2-CZ 4.34Å; T411-F416 HydrophobicContact CG2-CE2 3.76Å; T411-F416 HydrophobicContact CG2-CZ 4.25Å; A413-F416 PolarHBondContact O-N 3.18Å; E414-F416 PolarHBondContact O-N 3.39Å; E414-F416 VanDerWaalsContact O-N 3.15Å; F416-R418 PolarHBondContact O-N 2.96Å; F416-Y419 CarbonylContact O-C 3.47Å; F416-Y419 WeakPolarHBondContact O-CA 3.14Å; F416-Y419 PolarHBondContact O-N 2.82Å; F416-M420 PolarHBondContact O-N 3.08Å; F416-V424 HydrophobicContact CB-CG2 4.23Å; F416-V424 HydrophobicContact CD1-CG1 3.34Å; F416-V424 HydrophobicContact CD1-CG2 4.32Å; F416-V424 HydrophobicContact CE1-CG1 3.49Å; F416-V424 VanDerWaalsContact CE1-CG1 3.49Å; F416-V424 HydrophobicContact CG-CG1 4.04Å; F416-V424 HydrophobicContact CG-CG2 4.33Å; F416-V424 HydrophobicContact CZ-CG1 4.3Å; F416-F428 HydrophobicContact CD1-CD1 4.46Å; F416-F428 AromaticContact CD1-CD2 3.92Å; F416-F428 HydrophobicContact CD1-CD2 3.92Å; F416-F428 HydrophobicContact CD1-CE1 4.21Å; F416-F428 AromaticContact CD1-CE2 3.65Å; F416-F428 HydrophobicContact CD1-CE2 3.65Å; F416-F428 HydrophobicContact CD1-CG 4.33Å; F416-F428 AromaticContact CD1-CZ 3.8Å; F416-F428 HydrophobicContact CD1-CZ 3.8Å; F416-F428 HydrophobicContact CE1-CD1 4.09Å; F416-F428 AromaticContact CE1-CD2 3.92Å; F416-F428 HydrophobicContact CE1-CD2 3.92Å; F416-F428 HydrophobicContact CE1-CE1 4.24Å; F416-F428 HydrophobicContact CE1-CE2 4.1Å; F416-F428 AromaticContact CE1-CG 3.92Å; F416-F428 HydrophobicContact CE1-CG 3.92Å; F416-F428 HydrophobicContact CE1-CZ 4.24Å; F416-I454 HydrophobicContact CB-CD1 3.87Å; F416-I454 HydrophobicContact CD2-CD1 4.49Å; F416-I454 HydrophobicContact CG-CD1 4.49Å; F416-A469 HydrophobicContact CD2-CB 3.99Å; F416-A469 HydrophobicContact CE2-CB 3.83Å; F416-L471 HydrophobicContact CE2-CD1 4.39Å; F416-L471 HydrophobicContact CE2-CD2 3.77Å; F416-L471 HydrophobicContact CZ-CD1 3.89Å; F416-L471 HydrophobicContact CZ-CD2 3.8Å; F416-L471 HydrophobicContact CZ-CG 4.45Å |
| 417 | G | 72.7 | Confident | 79.5 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -53.6 | -33.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E414 | E414-G417 PolarHBondContact O-N 2.91Š|
| 418 | R | 70.3 | Confident | 79.3 | Confident | 162 Ų | 162 | 36.3 Ų | 36.3 | 61% | 0.611 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -79.2 | -14.5 | 176.7 | -66.3 | -176.3 | -179.7 | -168.9 | -5.6 | 114.4 | F416 E700 | F416-R418 PolarHBondContact O-N 2.96Å; R418-E700 IonicContact CZ-OE1 3.07Å; R418-E700 VanDerWaalsContact CZ-OE1 3.25Å; R418-E700 IonicContact CZ-OE2 3.1Å; R418-E700 IonicContact NE-OE1 2.76Å; R418-E700 PolarHBondContact NE-OE1 2.89Å; R418-E700 IonicContact NH2-OE1 3.12Å; R418-E700 PolarHBondContact NH2-OE1 3.49Å; R418-E700 IonicContact NH2-OE2 3.95Å; R418-E700 PolarHBondContact NH2-OE2 2.84Å |
| 419 | Y | 66 | Low | 79 | Confident | 52 Ų | 52 | 35.2 Ų | 35.2 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -111.8 | 8.9 | -174.2 | -64.1 | -86.8 | 0 | 0 | 0 | 112.4 | F416 A421 V422 H427 F428 | F416-Y419 CarbonylContact O-C 3.47Å; F416-Y419 WeakPolarHBondContact O-CA 3.14Å; F416-Y419 PolarHBondContact O-N 2.82Å; Y419-A421 PolarHBondContact O-N 2.51Å; Y419-A421 VanDerWaalsContact O-N 3.1Å; Y419-V422 CarbonylContact O-C 3.53Å; Y419-V422 PolarHBondContact O-N 2.84Å; Y419-H427 HydrophobicContact CD1-CB 4.35Å; Y419-H427 AromaticContact CD1-CD2 3.6Å; Y419-H427 HydrophobicContact CE1-CB 3.98Å; Y419-H427 AromaticContact CE1-CD2 3.59Å; Y419-H427 AromaticContact CE1-CG 3.69Å; Y419-F428 HydrophobicContact CD1-CE2 4.49Å; Y419-F428 AromaticContact CD2-CE2 3.57Å; Y419-F428 HydrophobicContact CD2-CE2 3.57Å; Y419-F428 AromaticContact CD2-CZ 3.5Å; Y419-F428 HydrophobicContact CD2-CZ 3.5Å; Y419-F428 AromaticContact CE2-CE2 3.83Å; Y419-F428 HydrophobicContact CE2-CE2 3.83Å; Y419-F428 AromaticContact CE2-CZ 3.52Å; Y419-F428 HydrophobicContact CE2-CZ 3.52Å; Y419-F428 AromaticContact CG-CE2 3.93Å; Y419-F428 HydrophobicContact CG-CE2 3.93Å; Y419-F428 HydrophobicContact CG-CZ 4.33Å |
| 420 | M | 56.4 | Low | 78.8 | Confident | 48 Ų | 48 | 35.2 Ų | 35.2 | 24% | 0.236 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.4 | -177.6 | -66.3 | -157.2 | 66.1 | 0 | 0 | 114.2 | F416 I454 L608 | F416-M420 PolarHBondContact O-N 3.08Å; M420-I454 HydrophobicContact CE-CB 3.89Å; M420-I454 HydrophobicContact CE-CD1 4.1Å; M420-I454 HydrophobicContact CE-CG2 3.56Å; M420-I454 HydrophobicContact CG-CD1 4.04Å; M420-I454 HydrophobicContact SD-CG2 4.23Å; M420-L608 HydrophobicContact CE-CB 3.68Å; M420-L608 HydrophobicContact CE-CD1 3.92Å; M420-L608 HydrophobicContact CE-CG 4.33Å; M420-L608 HydrophobicContact SD-CB 4.48Å; M420-L608 HydrophobicContact SD-CD1 4.35Å |
| 421 | A | 56.2 | Low | 78.6 | Confident | 82 Ų | 82 | 35.4 Ų | 35.4 | 68% | 0.678 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y419 | Y419-A421 PolarHBondContact O-N 2.51Å; Y419-A421 VanDerWaalsContact O-N 3.1Å |
| 422 | V | 59.1 | Low | 78.3 | Confident | 81 Ų | 81 | 35.6 Ų | 35.6 | 49% | 0.491 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -131.4 | 148.8 | -175.4 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | Y419 V424 | Y419-V422 CarbonylContact O-C 3.53Å; Y419-V422 PolarHBondContact O-N 2.84Å; V422-V424 PolarHBondContact O-N 3.3Å |
| 423 | S | 68 | Low | 77.6 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 46% | 0.462 | 20% | 0.204 | S | C | . | . | trans | -52.9 | 124.6 | 170.8 | 163.1 | 0 | 0 | 0 | 0 | 110.6 | E425 P426 H427 | S423-E425 WeakPolarHBondContact CA-OE2 3.47Å; S423-E425 WeakPolarHBondContact CB-OE2 3.46Å; S423-E425 PolarHBondContact OG-OE2 3.06Å; S423-P426 WeakPolarHBondContact O-CD 3.25Å; S423-P426 WeakPolarHBondContact OG-CD 3.12Å; S423-H427 PolarHBondContact O-CD2 2.93Å | ||
| 424 | V | 69.6 | Low | 76.7 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -74.4 | -37 | -176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | F416 V422 H427 F428 A452 I454 | F416-V424 HydrophobicContact CB-CG2 4.23Å; F416-V424 HydrophobicContact CD1-CG1 3.34Å; F416-V424 HydrophobicContact CD1-CG2 4.32Å; F416-V424 HydrophobicContact CE1-CG1 3.49Å; F416-V424 VanDerWaalsContact CE1-CG1 3.49Å; F416-V424 HydrophobicContact CG-CG1 4.04Å; F416-V424 HydrophobicContact CG-CG2 4.33Å; F416-V424 HydrophobicContact CZ-CG1 4.3Å; V422-V424 PolarHBondContact O-N 3.3Å; V424-H427 PolarHBondContact O-N 3.38Å; V424-F428 HydrophobicContact CG1-CD2 3.55Å; V424-F428 HydrophobicContact CG1-CE2 3.98Å; V424-F428 HydrophobicContact CG1-CG 4.4Å; V424-F428 WeakPolarHBondContact O-CD2 3.38Å; V424-A452 HydrophobicContact CB-CB 3.83Å; V424-A452 HydrophobicContact CG1-CB 3.92Å; V424-A452 HydrophobicContact CG2-CB 4.16Å; V424-I454 HydrophobicContact CG2-CD1 4.32Å |
| 425 | E | 69.6 | Low | 75.7 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -48.3 | -48.3 | -172.9 | -59.4 | 69.2 | -144.3 | 0 | 0 | 114.7 | S423 H427 I449 A450 N451 A452 | S423-E425 WeakPolarHBondContact CA-OE2 3.47Å; S423-E425 WeakPolarHBondContact CB-OE2 3.46Å; S423-E425 PolarHBondContact OG-OE2 3.06Å; E425-H427 PolarHBondContact O-N 2.89Å; E425-I449 WeakPolarHBondContact CB-O 3.49Å; E425-I449 HydrophobicContact CG-CG2 4.35Å; E425-A450 WeakPolarHBondContact CG-O 3.26Å; E425-N451 WeakPolarHBondContact OE1-CA 3.01Å; E425-A452 PolarHBondContact OE1-N 3.07Å |
| 426 | P | 70.9 | Confident | 74.9 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 43% | 0.429 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -67.8 | -20.4 | -179.3 | 25.8 | -35.2 | 0 | 0 | 0 | 113.1 | K382 S423 | K382-P426 VanDerWaalsContact CD-O 3.27Å; K382-P426 WeakPolarHBondContact CD-O 3.34Å; K382-P426 WeakPolarHBondContact CE-O 3.48Å; K382-P426 PolarHBondContact NZ-O 2.78Å; S423-P426 WeakPolarHBondContact O-CD 3.25Å; S423-P426 WeakPolarHBondContact OG-CD 3.12Å |
| 427 | H | 81.2 | Confident | 74.1 | Confident | 59 Ų | 59 | 43.6 Ų | 43.6 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -101.4 | -11 | -167.9 | -63.5 | -54.7 | 0 | 0 | 0 | 115.5 | K382 Y419 S423 V424 E425 | K382-H427 PolarHBondContact N-O 2.99Å; Y419-H427 HydrophobicContact CD1-CB 4.35Å; Y419-H427 AromaticContact CD1-CD2 3.6Å; Y419-H427 HydrophobicContact CE1-CB 3.98Å; Y419-H427 AromaticContact CE1-CD2 3.59Å; Y419-H427 AromaticContact CE1-CG 3.69Å; S423-H427 PolarHBondContact O-CD2 2.93Å; V424-H427 PolarHBondContact O-N 3.38Å; E425-H427 PolarHBondContact O-N 2.89Å |
| 428 | F | 89.4 | Confident | 74.1 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153.5 | -173.9 | -65.2 | -88.6 | 0 | 0 | 0 | 113.1 | I379 I380 K382 R388 F416 Y419 V424 I449 | I379-F428 HydrophobicContact CG2-CB 4.37Å; I379-F428 HydrophobicContact CG2-CD1 3.98Å; I380-F428 VanDerWaalsContact O-CA 3.31Å; I380-F428 WeakPolarHBondContact O-CA 3.41Å; I380-F428 WeakPolarHBondContact O-CD1 3.43Å; K382-F428 WeakPolarHBondContact CE-O 3.34Å; R388-F428 HydrophobicContact CB-CE1 4.41Å; R388-F428 HydrophobicContact CG-CE1 4.25Å; F416-F428 HydrophobicContact CD1-CD1 4.46Å; F416-F428 AromaticContact CD1-CD2 3.92Å; F416-F428 HydrophobicContact CD1-CD2 3.92Å; F416-F428 HydrophobicContact CD1-CE1 4.21Å; F416-F428 AromaticContact CD1-CE2 3.65Å; F416-F428 HydrophobicContact CD1-CE2 3.65Å; F416-F428 HydrophobicContact CD1-CG 4.33Å; F416-F428 AromaticContact CD1-CZ 3.8Å; F416-F428 HydrophobicContact CD1-CZ 3.8Å; F416-F428 HydrophobicContact CE1-CD1 4.09Å; F416-F428 AromaticContact CE1-CD2 3.92Å; F416-F428 HydrophobicContact CE1-CD2 3.92Å; F416-F428 HydrophobicContact CE1-CE1 4.24Å; F416-F428 HydrophobicContact CE1-CE2 4.1Å; F416-F428 AromaticContact CE1-CG 3.92Å; F416-F428 HydrophobicContact CE1-CG 3.92Å; F416-F428 HydrophobicContact CE1-CZ 4.24Å; Y419-F428 HydrophobicContact CD1-CE2 4.49Å; Y419-F428 AromaticContact CD2-CE2 3.57Å; Y419-F428 HydrophobicContact CD2-CE2 3.57Å; Y419-F428 AromaticContact CD2-CZ 3.5Å; Y419-F428 HydrophobicContact CD2-CZ 3.5Å; Y419-F428 AromaticContact CE2-CE2 3.83Å; Y419-F428 HydrophobicContact CE2-CE2 3.83Å; Y419-F428 AromaticContact CE2-CZ 3.52Å; Y419-F428 HydrophobicContact CE2-CZ 3.52Å; Y419-F428 AromaticContact CG-CE2 3.93Å; Y419-F428 HydrophobicContact CG-CE2 3.93Å; Y419-F428 HydrophobicContact CG-CZ 4.33Å; V424-F428 HydrophobicContact CG1-CD2 3.55Å; V424-F428 HydrophobicContact CG1-CE2 3.98Å; V424-F428 HydrophobicContact CG1-CG 4.4Å; V424-F428 WeakPolarHBondContact O-CD2 3.38Å; F428-I449 HydrophobicContact CB-CD1 3.77Å |
| 429 | L | 89.5 | Confident | 73.8 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.6 | 173.5 | -71.8 | 166.6 | 0 | 0 | 0 | 110 | I379 I380 K382 F431 E446 K448 | I379-L429 WeakPolarHBondContact CA-O 3.37Å; I380-L429 HydrophobicContact CD1-CB 4.26Å; I380-L429 HydrophobicContact CD1-CD1 4.34Å; I380-L429 HydrophobicContact CG1-CB 3.77Å; I380-L429 PolarHBondContact N-O 2.94Å; I380-L429 PolarHBondContact O-N 3Å; K382-L429 HydrophobicContact CD-CD1 4.21Å; K382-L429 HydrophobicContact CD-CD2 4.47Å; K382-L429 HydrophobicContact CD-CG 4Å; K382-L429 VanDerWaalsContact CE-CD2 3.47Å; K382-L429 VanDerWaalsContact CE-CG 3.4Å; K382-L429 HydrophobicContact CG-CD1 3.77Å; K382-L429 HydrophobicContact CG-CG 3.69Å; L429-F431 HydrophobicContact CB-CD2 4.5Å; L429-F431 HydrophobicContact CB-CE2 3.97Å; L429-F431 HydrophobicContact CD1-CE2 4.38Å; L429-E446 HydrophobicContact CD1-CG 4.49Å; L429-E446 WeakPolarHBondContact CD1-OE1 3.05Å; L429-E446 HydrophobicContact CD2-CG 4.15Å; L429-E446 VanDerWaalsContact CD2-OE1 3.31Å; L429-E446 WeakPolarHBondContact CD2-OE1 3.08Å; L429-K448 HydrophobicContact CD2-CG 3.91Å |
| 430 | V | 92.2 | Very high | 73.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.1 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | V377 I378 I379 I409 E446 V447 I449 L473 | V377-V430 HydrophobicContact CB-CG1 3.73Å; V377-V430 HydrophobicContact CG1-CG1 4.13Å; V377-V430 HydrophobicContact CG2-CG1 4.04Å; I378-V430 WeakPolarHBondContact O-CA 3.2Å; I379-V430 HydrophobicContact CG1-CG2 4.49Å; I409-V430 HydrophobicContact CD1-CB 4.34Å; I409-V430 HydrophobicContact CD1-CG1 3.64Å; I409-V430 HydrophobicContact CD1-CG2 3.96Å; V430-E446 WeakPolarHBondContact O-CA 3.38Å; V430-V447 PolarHBondContact N-O 3.08Å; V430-V447 PolarHBondContact O-N 3.21Å; V430-I449 HydrophobicContact CG2-CD1 4.09Å; V430-I449 HydrophobicContact CG2-CG1 3.8Å; V430-L473 HydrophobicContact CB-CD2 4.15Å; V430-L473 HydrophobicContact CG1-CD2 4.5Å; V430-L473 HydrophobicContact CG2-CD2 3.93Å |
| 431 | F | 91.3 | Very high | 74.1 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.4 | 172.3 | -76.1 | -95.5 | 0 | 0 | 0 | 110.6 | V377 I378 I380 L429 F437 R442 T445 E446 | V377-F431 CarbonylContact C-O 3.48Å; V377-F431 WeakPolarHBondContact CA-O 3.11Å; I378-F431 HydrophobicContact CB-CB 4.39Å; I378-F431 PolarHBondContact N-O 2.87Å; I378-F431 PolarHBondContact O-N 3.48Å; I380-F431 HydrophobicContact CD1-CD2 3.94Å; I380-F431 HydrophobicContact CD1-CE2 3.33Å; I380-F431 HydrophobicContact CD1-CZ 4.22Å; I380-F431 HydrophobicContact CG1-CD2 4.07Å; I380-F431 HydrophobicContact CG1-CE2 3.84Å; I380-F431 HydrophobicContact CG2-CD2 4.38Å; L429-F431 HydrophobicContact CB-CD2 4.5Å; L429-F431 HydrophobicContact CB-CE2 3.97Å; L429-F431 HydrophobicContact CD1-CE2 4.38Å; F431-F437 HydrophobicContact CB-CD2 4.22Å; F431-F437 HydrophobicContact CB-CE2 3.91Å; F431-F437 HydrophobicContact CD1-CD2 4.42Å; F431-F437 AromaticContact CD1-CE2 3.72Å; F431-F437 HydrophobicContact CD1-CE2 3.72Å; F431-F437 AromaticContact CD2-CE2 3.95Å; F431-F437 HydrophobicContact CD2-CE2 3.95Å; F431-F437 HydrophobicContact CD2-CZ 4.25Å; F431-F437 HydrophobicContact CE1-CE2 4.25Å; F431-F437 HydrophobicContact CE2-CE2 4.49Å; F431-F437 HydrophobicContact CG-CD2 4.3Å; F431-F437 AromaticContact CG-CE2 3.55Å; F431-F437 HydrophobicContact CG-CE2 3.55Å; F431-F437 HydrophobicContact CG-CZ 4.3Å; F431-R442 HydrophobicContact CE1-CB 3.9Å; F431-R442 HydrophobicContact CZ-CB 4.05Å; F431-R442 HydrophobicContact CZ-CG 4.37Å; F431-T445 WeakPolarHBondContact CA-O 3.49Å; F431-E446 HydrophobicContact CD1-CB 4.36Å; F431-E446 HydrophobicContact CE1-CB 3.82Å; F431-E446 HydrophobicContact CE1-CG 4.12Å; F431-E446 HydrophobicContact CE2-CG 4.13Å; F431-E446 HydrophobicContact CZ-CB 3.98Å; F431-E446 HydrophobicContact CZ-CG 3.73Å; F431-E446 WeakPolarHBondContact CZ-OE2 3.43Å |
| 432 | A | 89.2 | Confident | 74.6 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 168.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V377 T445 L477 I483 | V377-A432 HydrophobicContact CG1-CB 3.81Å; A432-T445 PolarHBondContact N-O 3.14Å; A432-T445 PolarHBondContact O-N 2.84Å; A432-L477 HydrophobicContact CB-CD1 3.96Å; A432-I483 HydrophobicContact CB-CD1 3.24Å; A432-I483 HydrophobicContact CB-CG1 4.17Å |
| 433 | G | 79.6 | Confident | 75.1 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 83.3 | 8.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 434 | L | 73 | Confident | 75.5 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 38% | 0.382 | 27% | 0.265 | S | S | . | . | trans | -145.4 | 135.2 | 176.8 | -68.7 | 176.5 | 0 | 0 | 0 | 113.1 | R443 G444 | L434-R443 HydrophobicContact CD1-CB 3.47Å; L434-R443 VanDerWaalsContact CD1-CB 3.47Å; L434-G444 VanDerWaalsContact CD1-CA 3.45Å; L434-G444 VanDerWaalsContact CD1-N 3.29Å | ||
| 435 | S | 69.3 | Low | 76.2 | Confident | 13 Ų | 13 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -70.1 | -40.2 | 177.2 | 171 | 0 | 0 | 0 | 0 | 113.5 | Q370 R512 I513 | Q370-S435 WeakPolarHBondContact O-CB 3.3Å; Q370-S435 PolarHBondContact O-OG 2.93Å; S435-R512 WeakPolarHBondContact O-CA 3.21Å; S435-R512 WeakPolarHBondContact O-CB 3.34Å; S435-I513 PolarHBondContact O-N 3.26Å |
| 436 | R | 72.8 | Confident | 77.1 | Confident | 116 Ų | 116 | 56.5 Ų | 56.5 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -96.7 | 107.2 | -178.3 | -64.2 | -176 | -173.1 | -135.9 | 3.7 | 110.2 | H511 R512 | R436-H511 WeakPolarHBondContact CA-O 3.41Å; R436-R512 HydrophobicContact CG-CB 4.12Å |
| 437 | F | 70.9 | Confident | 78.1 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | trans | -117.1 | 120 | 176 | -178.1 | -90.1 | 0 | 0 | 0 | 109.3 | I378 I380 I387 F431 Y506 H511 | I378-F437 HydrophobicContact CD1-CB 3.32Å; I378-F437 HydrophobicContact CD1-CD1 3.85Å; I378-F437 HydrophobicContact CD1-CD2 4.1Å; I378-F437 HydrophobicContact CD1-CG 3.48Å; I378-F437 VanDerWaalsContact CD1-CG 3.48Å; I378-F437 HydrophobicContact CG2-CD1 4.4Å; I378-F437 HydrophobicContact CG2-CE1 4.37Å; I380-F437 HydrophobicContact CG2-CE1 4.05Å; I380-F437 HydrophobicContact CG2-CZ 3.86Å; I387-F437 HydrophobicContact CD1-CD1 3.6Å; I387-F437 HydrophobicContact CD1-CE1 3.86Å; I387-F437 HydrophobicContact CG1-CD1 4.02Å; I387-F437 HydrophobicContact CG1-CE1 3.75Å; F431-F437 HydrophobicContact CB-CD2 4.22Å; F431-F437 HydrophobicContact CB-CE2 3.91Å; F431-F437 HydrophobicContact CD1-CD2 4.42Å; F431-F437 AromaticContact CD1-CE2 3.72Å; F431-F437 HydrophobicContact CD1-CE2 3.72Å; F431-F437 AromaticContact CD2-CE2 3.95Å; F431-F437 HydrophobicContact CD2-CE2 3.95Å; F431-F437 HydrophobicContact CD2-CZ 4.25Å; F431-F437 HydrophobicContact CE1-CE2 4.25Å; F431-F437 HydrophobicContact CE2-CE2 4.49Å; F431-F437 HydrophobicContact CG-CD2 4.3Å; F431-F437 AromaticContact CG-CE2 3.55Å; F431-F437 HydrophobicContact CG-CE2 3.55Å; F431-F437 HydrophobicContact CG-CZ 4.3Å; F437-Y506 WeakPolarHBondContact O-CE2 3.19Å; F437-Y506 PolarHBondContact O-OH 3.36Å; F437-H511 PolarHBondContact N-O 2.74Å; F437-H511 VanDerWaalsContact N-O 3.07Å; F437-H511 CarbonylContact O-C 3.51Å; F437-H511 VanDerWaalsContact O-O 3.12Å | ||
| 438 | S | 71.2 | Confident | 78.6 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -113.5 | 130.3 | 171.7 | 172 | 0 | 0 | 0 | 0 | 107.8 | S440 R441 | S438-S440 PolarHBondContact O-N 3.08Å; S438-S440 PolarHBondContact OG-N 2.93Å; S438-R441 CarbonylContact O-C 3.57Å; S438-R441 PolarHBondContact O-N 2.77Å; S438-R441 VanDerWaalsContact O-O 3.07Å |
| 439 | P | 65.5 | Low | 78.7 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 31% | 0.312 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -32.3 | 175.2 | -29 | 35.9 | 0 | 0 | 0 | 113.5 | ||
| 440 | S | 62.6 | Low | 78.7 | Confident | 112 Ų | 112 | 58 Ų | 58 | 78% | 0.783 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -22.5 | 178.9 | -36.9 | 0 | 0 | 0 | 0 | 114 | S438 | S438-S440 PolarHBondContact O-N 3.08Å; S438-S440 PolarHBondContact OG-N 2.93Å |
| 441 | R | 64.3 | Low | 78.6 | Confident | 186 Ų | 186 | 61.4 Ų | 61.4 | 70% | 0.702 | 31% | 0.311 | S | S | * | . | B | Isolated β-bridge | trans | -130.6 | 80.3 | 178 | -66.5 | -171.9 | -176 | -125.1 | -1 | 108.4 | S438 R443 | S438-R441 CarbonylContact O-C 3.57Å; S438-R441 PolarHBondContact O-N 2.77Å; S438-R441 VanDerWaalsContact O-O 3.07Å; R441-R443 PolarHBondContact O-N 3.49Å |
| 442 | R | 67.6 | Low | 78.3 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | trans | -65.9 | 71 | 176.7 | -60.6 | -174.7 | -172.4 | -175.4 | 2.4 | 111.1 | F431 | F431-R442 HydrophobicContact CE1-CB 3.9Å; F431-R442 HydrophobicContact CZ-CB 4.05Å; F431-R442 HydrophobicContact CZ-CG 4.37Å | ||
| 443 | R | 69.4 | Low | 78.1 | Confident | 179 Ų | 179 | 64.8 Ų | 64.8 | 68% | 0.675 | 33% | 0.33 | S | S | * | . | trans | -86.7 | 145.2 | 168.1 | -78.1 | -173.9 | 171.5 | -178.8 | -4.6 | 108.5 | L434 R441 | L434-R443 HydrophobicContact CD1-CB 3.47Å; L434-R443 VanDerWaalsContact CD1-CB 3.47Å; R441-R443 PolarHBondContact O-N 3.49Å | ||
| 444 | G | 76.3 | Confident | 78.4 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 134.3 | 178.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L434 E446 | L434-G444 VanDerWaalsContact CD1-CA 3.45Å; L434-G444 VanDerWaalsContact CD1-N 3.29Å; G444-E446 PolarHBondContact O-N 3.01Å |
| 445 | T | 85.4 | Confident | 78.7 | Confident | 29 Ų | 29 | 63 Ų | 63 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 112.2 | 171.1 | -58.4 | 0 | 0 | 0 | 0 | 108.2 | F431 A432 V447 L477 D481 | F431-T445 WeakPolarHBondContact CA-O 3.49Å; A432-T445 PolarHBondContact N-O 3.14Å; A432-T445 PolarHBondContact O-N 2.84Å; T445-V447 HydrophobicContact CG2-CG2 4.12Å; T445-L477 HydrophobicContact CG2-CD2 3.7Å; T445-D481 HydrophobicContact CG2-CB 4.12Å; T445-D481 WeakPolarHBondContact CG2-OD1 3.43Å |
| 446 | E | 88.3 | Confident | 79.1 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.1 | 174.6 | -175.2 | 178.1 | 155.9 | 0 | 0 | 110.2 | L429 V430 F431 G444 | L429-E446 HydrophobicContact CD1-CG 4.49Å; L429-E446 WeakPolarHBondContact CD1-OE1 3.05Å; L429-E446 HydrophobicContact CD2-CG 4.15Å; L429-E446 VanDerWaalsContact CD2-OE1 3.31Å; L429-E446 WeakPolarHBondContact CD2-OE1 3.08Å; V430-E446 WeakPolarHBondContact O-CA 3.38Å; F431-E446 HydrophobicContact CD1-CB 4.36Å; F431-E446 HydrophobicContact CE1-CB 3.82Å; F431-E446 HydrophobicContact CE1-CG 4.12Å; F431-E446 HydrophobicContact CE2-CG 4.13Å; F431-E446 HydrophobicContact CZ-CB 3.98Å; F431-E446 HydrophobicContact CZ-CG 3.73Å; F431-E446 WeakPolarHBondContact CZ-OE2 3.43Å; G444-E446 PolarHBondContact O-N 3.01Å |
| 447 | V | 91.5 | Very high | 79.1 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.1 | 174.9 | -167.4 | 0 | 0 | 0 | 0 | 109.9 | V430 T445 L473 R475 L477 | V430-V447 PolarHBondContact N-O 3.08Å; V430-V447 PolarHBondContact O-N 3.21Å; T445-V447 HydrophobicContact CG2-CG2 4.12Å; V447-L473 HydrophobicContact CB-CD1 4.41Å; V447-L473 HydrophobicContact CB-CD2 4.26Å; V447-L473 HydrophobicContact CG1-CB 3.93Å; V447-L473 HydrophobicContact CG1-CD1 4.13Å; V447-L473 HydrophobicContact CG1-CD2 4.02Å; V447-L473 HydrophobicContact CG1-CG 4.26Å; V447-R475 HydrophobicContact CG1-CG 3.84Å; V447-L477 HydrophobicContact CG2-CD1 4.4Å; V447-L477 HydrophobicContact CG2-CD2 3.52Å; V447-L477 HydrophobicContact CG2-CG 4.06Å |
| 448 | K | 92.3 | Very high | 79 | Confident | 105 Ų | 105 | 59.9 Ų | 59.9 | 46% | 0.457 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 153.5 | 175.6 | -67.4 | 177.3 | -175.4 | 174.1 | 0 | 111.2 | L429 E474 | L429-K448 HydrophobicContact CD2-CG 3.91Å; K448-E474 HydrophobicContact CB-CG 4Å; K448-E474 WeakPolarHBondContact CB-OE1 3.29Å; K448-E474 WeakPolarHBondContact CB-OE2 3.49Å; K448-E474 WeakPolarHBondContact CD-OE1 3.44Å; K448-E474 WeakPolarHBondContact CD-OE2 3.08Å; K448-E474 PolarHBondContact O-N 2.93Å |
| 449 | I | 91.1 | Very high | 78.5 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.4 | 176.2 | -58.7 | 168.9 | 0 | 0 | 0 | 107.6 | E425 F428 V430 N451 A452 L471 | E425-I449 WeakPolarHBondContact CB-O 3.49Å; E425-I449 HydrophobicContact CG-CG2 4.35Å; F428-I449 HydrophobicContact CB-CD1 3.77Å; V430-I449 HydrophobicContact CG2-CD1 4.09Å; V430-I449 HydrophobicContact CG2-CG1 3.8Å; I449-N451 WeakPolarHBondContact CG2-O 3.4Å; I449-A452 HydrophobicContact CG2-CB 4.46Å; I449-L471 HydrophobicContact CD1-CD1 4.11Å; I449-L471 HydrophobicContact CG2-CB 4.38Å |
| 450 | A | 89.6 | Confident | 78.1 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -34.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E425 K472 E474 | E425-A450 WeakPolarHBondContact CG-O 3.26Å; A450-K472 PolarHBondContact N-O 3.18Å; A450-E474 HydrophobicContact CB-CB 4.47Å; A450-E474 HydrophobicContact CB-CG 3.88Å |
| 451 | N | 88.6 | Confident | 78 | Confident | 72 Ų | 72 | 59 Ų | 59 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 147 | 177.1 | -170.9 | 17.2 | 0 | 0 | 0 | 111.1 | E425 I449 N453 L471 K472 | E425-N451 WeakPolarHBondContact OE1-CA 3.01Å; I449-N451 WeakPolarHBondContact CG2-O 3.4Å; N451-N453 PolarHBondContact ND2-OD1 3.03Å; N451-L471 WeakPolarHBondContact O-CA 3.45Å; N451-K472 HydrophobicContact CB-CB 4.39Å; N451-K472 PolarHBondContact N-O 3.41Å; N451-K472 PolarHBondContact O-N 2.81Å |
| 452 | A | 86.1 | Confident | 77.8 | Confident | 14 Ų | 14 | 58 Ų | 58 | 12% | 0.116 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 115.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V424 E425 I449 L471 | V424-A452 HydrophobicContact CB-CB 3.83Å; V424-A452 HydrophobicContact CG1-CB 3.92Å; V424-A452 HydrophobicContact CG2-CB 4.16Å; E425-A452 PolarHBondContact OE1-N 3.07Å; I449-A452 HydrophobicContact CG2-CB 4.46Å; A452-L471 HydrophobicContact CB-CD2 3.45Å; A452-L471 VanDerWaalsContact CB-CD2 3.45Å |
| 453 | N | 85.2 | Confident | 77.8 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 35% | 0.353 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.2 | 173.3 | -63.6 | -31.4 | 0 | 0 | 0 | 110.5 | N451 Y455 A469 V470 | N451-N453 PolarHBondContact ND2-OD1 3.03Å; N453-Y455 HydrophobicContact CB-CE2 3.55Å; N453-Y455 VanDerWaalsContact CB-OH 3.26Å; N453-Y455 WeakPolarHBondContact CB-OH 3.01Å; N453-A469 CarbonylContact O-C 3.58Å; N453-A469 VanDerWaalsContact O-CA 3.29Å; N453-A469 WeakPolarHBondContact O-CA 3.43Å; N453-V470 PolarHBondContact N-O 2.81Å; N453-V470 PolarHBondContact O-N 3.14Å |
| 454 | I | 84.9 | Confident | 77.7 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.2 | -172.7 | -52.3 | 175.7 | 0 | 0 | 0 | 110.3 | A413 F416 M420 V424 A469 L608 | A413-I454 HydrophobicContact CB-CG2 3.38Å; F416-I454 HydrophobicContact CB-CD1 3.87Å; F416-I454 HydrophobicContact CD2-CD1 4.49Å; F416-I454 HydrophobicContact CG-CD1 4.49Å; M420-I454 HydrophobicContact CE-CB 3.89Å; M420-I454 HydrophobicContact CE-CD1 4.1Å; M420-I454 HydrophobicContact CE-CG2 3.56Å; M420-I454 HydrophobicContact CG-CD1 4.04Å; M420-I454 HydrophobicContact SD-CG2 4.23Å; V424-I454 HydrophobicContact CG2-CD1 4.32Å; I454-A469 HydrophobicContact CG1-CB 4.45Å; I454-L608 HydrophobicContact CG2-CD1 3.96Å |
| 455 | Y | 81 | Confident | 77.8 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 143.6 | -174.4 | -58.7 | -81.9 | 0 | 0 | 0 | 112.3 | N453 G467 I468 V470 V599 V605 T607 L608 | N453-Y455 HydrophobicContact CB-CE2 3.55Å; N453-Y455 VanDerWaalsContact CB-OH 3.26Å; N453-Y455 WeakPolarHBondContact CB-OH 3.01Å; Y455-G467 CarbonylContact O-C 3.45Å; Y455-G467 VanDerWaalsContact O-CA 3.24Å; Y455-G467 WeakPolarHBondContact O-CA 3.38Å; Y455-G467 PolarHBondContact O-N 3.07Å; Y455-I468 WeakPolarHBondContact CB-O 3.38Å; Y455-I468 PolarHBondContact N-O 3.23Å; Y455-I468 PolarHBondContact O-N 2.96Å; Y455-V470 HydrophobicContact CD2-CG2 4.32Å; Y455-V470 HydrophobicContact CE2-CB 4.31Å; Y455-V470 HydrophobicContact CE2-CG2 3.94Å; Y455-V599 HydrophobicContact CD1-CG2 3.57Å; Y455-V599 HydrophobicContact CD2-CG1 4.33Å; Y455-V599 HydrophobicContact CD2-CG2 3.85Å; Y455-V599 HydrophobicContact CE1-CB 4.35Å; Y455-V599 HydrophobicContact CE1-CG1 4.07Å; Y455-V599 HydrophobicContact CE1-CG2 3.4Å; Y455-V599 HydrophobicContact CE2-CB 4.18Å; Y455-V599 HydrophobicContact CE2-CG1 3.45Å; Y455-V599 VanDerWaalsContact CE2-CG1 3.45Å; Y455-V599 HydrophobicContact CE2-CG2 3.7Å; Y455-V599 HydrophobicContact CG-CG2 3.79Å; Y455-V599 VanDerWaalsContact CZ-CG2 3.46Å; Y455-V599 WeakPolarHBondContact OH-CG1 3.47Å; Y455-V605 HydrophobicContact CD1-CB 4.25Å; Y455-V605 HydrophobicContact CD1-CG1 4.16Å; Y455-T607 HydrophobicContact CD1-CG2 4.29Å; Y455-T607 HydrophobicContact CE1-CG2 4.22Å; Y455-L608 VanDerWaalsContact C-CD1 3.45Å; Y455-L608 WeakPolarHBondContact O-CD1 3.24Å |
| 456 | G | 76.8 | Confident | 77.6 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 155.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R465 Q606 | G456-R465 CarbonylContact C-O 3.55Å; G456-R465 WeakPolarHBondContact CA-O 3.15Å; G456-Q606 PolarHBondContact N-O 3.08Å |
| 457 | L | 72.3 | Confident | 77.5 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.3 | 166.6 | -76.9 | 161.4 | 0 | 0 | 0 | 108.2 | W459 R465 R538 L572 V595 | L457-W459 PolarHBondContact O-N 2.62Å; L457-R465 PolarHBondContact N-O 3.43Å; L457-R465 PolarHBondContact O-N 2.82Å; L457-R538 HydrophobicContact CD2-CB 4.37Å; L457-L572 HydrophobicContact CD1-CD1 3.18Å; L457-V595 HydrophobicContact CD2-CG2 3.9Å |
| 458 | L | 70 | Confident | 77.5 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 121.6 | 170.8 | -148.4 | 74 | 0 | 0 | 0 | 108.1 | M464 | L458-M464 HydrophobicContact CB-SD 4.22Å; L458-M464 HydrophobicContact CD1-CG 4.1Å; L458-M464 HydrophobicContact CD1-SD 3.44Å; L458-M464 WeakPolarHBondContact CD1-SD 3.34Å; L458-M464 HydrophobicContact CG-SD 4.41Å |
| 459 | W | 60.3 | Low | 77.4 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 10% | 0.102 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 153.8 | 175.4 | -160.8 | -93 | 0 | 0 | 0 | 107.9 | L457 H462 E463 R465 L527 L575 F589 I705 | L457-W459 PolarHBondContact O-N 2.62Å; W459-H462 PolarHBondContact O-N 2.85Å; W459-E463 WeakPolarHBondContact CA-O 3.28Å; W459-E463 HydrophobicContact CB-CB 4.41Å; W459-E463 WeakPolarHBondContact CB-O 3.14Å; W459-E463 PolarHBondContact N-O 2.83Å; W459-E463 PolarHBondContact O-N 3.04Å; W459-R465 HydrophobicContact CB-CB 4.5Å; W459-R465 HydrophobicContact CB-CG 3.87Å; W459-R465 HydrophobicContact CG-CG 4.18Å; W459-L527 HydrophobicContact CH2-CD1 3.3Å; W459-L527 HydrophobicContact CZ2-CD1 3.87Å; W459-L527 HydrophobicContact CZ3-CD1 3.68Å; W459-L575 HydrophobicContact CH2-CD2 4.19Å; W459-L575 HydrophobicContact CZ2-CD2 4.48Å; W459-F589 HydrophobicContact CE3-CZ 4.48Å; W459-F589 HydrophobicContact CH2-CD1 4.43Å; W459-F589 HydrophobicContact CH2-CE1 4.22Å; W459-F589 HydrophobicContact CH2-CE2 4.37Å; W459-F589 HydrophobicContact CH2-CZ 4.19Å; W459-F589 HydrophobicContact CZ3-CD1 4.14Å; W459-F589 AromaticContact CZ3-CE1 3.53Å; W459-F589 HydrophobicContact CZ3-CE1 3.53Å; W459-F589 HydrophobicContact CZ3-CE2 4.09Å; W459-F589 AromaticContact CZ3-CZ 3.5Å; W459-F589 HydrophobicContact CZ3-CZ 3.5Å; W459-I705 HydrophobicContact CH2-CD1 4.22Å; W459-I705 HydrophobicContact CZ2-CD1 3.9Å |
| 460 | G | 56.6 | Low | 77.4 | Confident | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.7 | 146.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H462 Y537 | G460-H462 VanDerWaalsContact C-N 3.33Å; G460-Y537 WeakPolarHBondContact CA-OH 3.42Å; G460-Y537 VanDerWaalsContact N-CE1 3.27Å; G460-Y537 PolarHBondContact N-OH 2.01Å; G460-Y537 VanDerWaalsContact N-OH 3.15Å |
| 461 | N | 61 | Low | 77.6 | Confident | 137 Ų | 137 | 42.6 Ų | 42.6 | 73% | 0.733 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 29.7 | -172 | -50.4 | -34.3 | 0 | 0 | 0 | 114.4 | E463 | N461-E463 PolarHBondContact O-N 3.23Å; N461-E463 VanDerWaalsContact O-N 3.14Å |
| 462 | H | 59.1 | Low | 77.8 | Confident | 164 Ų | 164 | 44.7 Ų | 44.7 | 76% | 0.759 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 21.3 | -177.9 | -55.9 | -85.6 | 0 | 0 | 0 | 113.8 | W459 G460 M464 | W459-H462 PolarHBondContact O-N 2.85Å; G460-H462 VanDerWaalsContact C-N 3.33Å; H462-M464 PolarHBondContact O-N 3.14Å |
| 463 | E | 67.5 | Low | 78.2 | Confident | 103 Ų | 103 | 44.2 Ų | 44.2 | 48% | 0.481 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 120.4 | 172.9 | -77 | -170.9 | 175.4 | 0 | 0 | 109.6 | W459 N461 R465 | W459-E463 WeakPolarHBondContact CA-O 3.28Å; W459-E463 HydrophobicContact CB-CB 4.41Å; W459-E463 WeakPolarHBondContact CB-O 3.14Å; W459-E463 PolarHBondContact N-O 2.83Å; W459-E463 PolarHBondContact O-N 3.04Å; N461-E463 PolarHBondContact O-N 3.23Å; N461-E463 VanDerWaalsContact O-N 3.14Å; E463-R465 IonicContact OE2-NE 2.89Å; E463-R465 IonicContact OE2-NH2 3.67Å; E463-R465 PolarHBondContact OE2-NH2 2.74Å |
| 464 | M | 68.5 | Low | 78.6 | Confident | 34 Ų | 34 | 47 Ų | 47 | 17% | 0.167 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.6 | 172.8 | -76.8 | -69.5 | -84.1 | 0 | 0 | 110.7 | L458 H462 Q606 | L458-M464 HydrophobicContact CB-SD 4.22Å; L458-M464 HydrophobicContact CD1-CG 4.1Å; L458-M464 HydrophobicContact CD1-SD 3.44Å; L458-M464 WeakPolarHBondContact CD1-SD 3.34Å; L458-M464 HydrophobicContact CG-SD 4.41Å; H462-M464 PolarHBondContact O-N 3.14Å; M464-Q606 HydrophobicContact CE-CB 3.6Å |
| 465 | R | 77.6 | Confident | 79 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 160.1 | 175.4 | -67.9 | -166.6 | 175.7 | -169.8 | -1.5 | 111.8 | G456 L457 W459 E463 G467 | G456-R465 CarbonylContact C-O 3.55Å; G456-R465 WeakPolarHBondContact CA-O 3.15Å; L457-R465 PolarHBondContact N-O 3.43Å; L457-R465 PolarHBondContact O-N 2.82Å; W459-R465 HydrophobicContact CB-CB 4.5Å; W459-R465 HydrophobicContact CB-CG 3.87Å; W459-R465 HydrophobicContact CG-CG 4.18Å; E463-R465 IonicContact OE2-NE 2.89Å; E463-R465 IonicContact OE2-NH2 3.67Å; E463-R465 PolarHBondContact OE2-NH2 2.74Å; R465-G467 PolarHBondContact O-N 2.87Å |
| 466 | R | 81.7 | Confident | 79.6 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 116.5 | 175.5 | -64.3 | -158 | -168.2 | 79.2 | 6.1 | 109.9 | A413 E414 L608 | A413-R466 HydrophobicContact CB-CB 3.83Å; E414-R466 HydrophobicContact CB-CB 4.45Å; E414-R466 IonicContact OE1-NH1 2.66Å; E414-R466 VanDerWaalsContact OE2-CD 3.22Å; E414-R466 WeakPolarHBondContact OE2-CD 3.28Å; E414-R466 IonicContact OE2-CZ 2.98Å; E414-R466 IonicContact OE2-NE 2.87Å; E414-R466 IonicContact OE2-NH1 2.66Å; E414-R466 PolarHBondContact OE2-NH1 2.77Å; R466-L608 HydrophobicContact CB-CD1 4.49Å; R466-L608 HydrophobicContact CG-CD1 4.19Å; R466-L608 HydrophobicContact CG-CD2 3.78Å |
| 467 | G | 87 | Confident | 80.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -118.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A413 Y455 R465 L572 | A413-G467 VanDerWaalsContact CB-O 3.25Å; A413-G467 WeakPolarHBondContact CB-O 3.45Å; A413-G467 PolarHBondContact N-O 3.17Å; Y455-G467 CarbonylContact O-C 3.45Å; Y455-G467 VanDerWaalsContact O-CA 3.24Å; Y455-G467 WeakPolarHBondContact O-CA 3.38Å; Y455-G467 PolarHBondContact O-N 3.07Å; R465-G467 PolarHBondContact O-N 2.87Å; G467-L572 WeakPolarHBondContact O-CD2 3.18Å |
| 468 | I | 89.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 148.8 | -176.6 | -65.1 | 168.8 | 0 | 0 | 0 | 109.4 | T411 Y455 V570 V595 | T411-I468 WeakPolarHBondContact O-CA 3.46Å; T411-I468 WeakPolarHBondContact O-CG2 3.43Å; Y455-I468 WeakPolarHBondContact CB-O 3.38Å; Y455-I468 PolarHBondContact N-O 3.23Å; Y455-I468 PolarHBondContact O-N 2.96Å; I468-V570 HydrophobicContact CD1-CB 4.37Å; I468-V570 HydrophobicContact CD1-CG2 4.24Å; I468-V570 HydrophobicContact CG1-CB 4.19Å; I468-V570 HydrophobicContact CG1-CG2 4.36Å; I468-V595 HydrophobicContact CD1-CB 4.35Å |
| 469 | A | 91.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | T411 F416 N453 I454 L471 | T411-A469 HydrophobicContact CG2-CB 3.94Å; T411-A469 PolarHBondContact N-O 3.06Å; T411-A469 PolarHBondContact O-N 2.98Å; F416-A469 HydrophobicContact CD2-CB 3.99Å; F416-A469 HydrophobicContact CE2-CB 3.83Å; N453-A469 CarbonylContact O-C 3.58Å; N453-A469 VanDerWaalsContact O-CA 3.29Å; N453-A469 WeakPolarHBondContact O-CA 3.43Å; I454-A469 HydrophobicContact CG1-CB 4.45Å; A469-L471 HydrophobicContact CB-CD2 4.46Å |
| 470 | V | 91.6 | Very high | 82.9 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 117.5 | 174.8 | -175.9 | 0 | 0 | 0 | 0 | 107.6 | I408 I409 L410 N453 Y455 V599 L600 | I408-V470 HydrophobicContact CG2-CG1 3.91Å; I409-V470 WeakPolarHBondContact O-CA 3.33Å; L410-V470 HydrophobicContact CD2-CB 4.42Å; L410-V470 HydrophobicContact CD2-CG1 4.29Å; L410-V470 HydrophobicContact CD2-CG2 3.79Å; N453-V470 PolarHBondContact N-O 2.81Å; N453-V470 PolarHBondContact O-N 3.14Å; Y455-V470 HydrophobicContact CD2-CG2 4.32Å; Y455-V470 HydrophobicContact CE2-CB 4.31Å; Y455-V470 HydrophobicContact CE2-CG2 3.94Å; V470-V599 HydrophobicContact CG2-CG1 3.97Å; V470-L600 HydrophobicContact CG1-CD2 4.07Å |
| 471 | L | 92.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.8 | -179.8 | -43.4 | 175.3 | 0 | 0 | 0 | 109.6 | I379 I408 I409 T411 F416 I449 N451 A452 A469 | I379-L471 HydrophobicContact CD1-CD1 3.82Å; I408-L471 WeakPolarHBondContact CA-O 3.23Å; I409-L471 HydrophobicContact CB-CB 4.18Å; I409-L471 HydrophobicContact CB-CD1 4.48Å; I409-L471 HydrophobicContact CG2-CD1 4.19Å; I409-L471 PolarHBondContact N-O 2.69Å; I409-L471 PolarHBondContact O-N 3.04Å; T411-L471 HydrophobicContact CG2-CD1 4.04Å; T411-L471 HydrophobicContact CG2-CG 4.28Å; F416-L471 HydrophobicContact CE2-CD1 4.39Å; F416-L471 HydrophobicContact CE2-CD2 3.77Å; F416-L471 HydrophobicContact CZ-CD1 3.89Å; F416-L471 HydrophobicContact CZ-CD2 3.8Å; F416-L471 HydrophobicContact CZ-CG 4.45Å; I449-L471 HydrophobicContact CD1-CD1 4.11Å; I449-L471 HydrophobicContact CG2-CB 4.38Å; N451-L471 WeakPolarHBondContact O-CA 3.45Å; A452-L471 HydrophobicContact CB-CD2 3.45Å; A452-L471 VanDerWaalsContact CB-CD2 3.45Å; A469-L471 HydrophobicContact CB-CD2 4.46Å |
| 472 | K | 92.8 | Very high | 85.4 | Confident | 117 Ų | 117 | 65.3 Ų | 65.3 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.5 | 169.5 | -170.8 | 172.2 | -177.4 | 177.6 | 0 | 109.4 | D407 A450 N451 | D407-K472 CarbonylContact O-C 3.09Å; D407-K472 WeakPolarHBondContact O-CA 3.22Å; D407-K472 WeakPolarHBondContact OD2-CE 3.47Å; A450-K472 PolarHBondContact N-O 3.18Å; N451-K472 HydrophobicContact CB-CB 4.39Å; N451-K472 PolarHBondContact N-O 3.41Å; N451-K472 PolarHBondContact O-N 2.81Å |
| 473 | L | 94.4 | Very high | 86.9 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 153.8 | 176.5 | -63.7 | 179.8 | 0 | 0 | 0 | 111.5 | L393 D407 I409 V430 V447 R475 L477 | L393-L473 HydrophobicContact CD1-CD1 4.44Å; D407-L473 HydrophobicContact CB-CB 4.17Å; D407-L473 PolarHBondContact O-N 2.64Å; I409-L473 HydrophobicContact CD1-CD1 3.9Å; I409-L473 HydrophobicContact CD1-CD2 3.58Å; I409-L473 HydrophobicContact CD1-CG 3.83Å; V430-L473 HydrophobicContact CB-CD2 4.15Å; V430-L473 HydrophobicContact CG1-CD2 4.5Å; V430-L473 HydrophobicContact CG2-CD2 3.93Å; V447-L473 HydrophobicContact CB-CD1 4.41Å; V447-L473 HydrophobicContact CB-CD2 4.26Å; V447-L473 HydrophobicContact CG1-CB 3.93Å; V447-L473 HydrophobicContact CG1-CD1 4.13Å; V447-L473 HydrophobicContact CG1-CD2 4.02Å; V447-L473 HydrophobicContact CG1-CG 4.26Å; L473-R475 VanDerWaalsContact CB-O 3.27Å; L473-R475 WeakPolarHBondContact CB-O 3.06Å; L473-R475 PolarHBondContact O-N 3.22Å; L473-L477 HydrophobicContact CD1-CD1 3.51Å; L473-L477 HydrophobicContact CD1-CG 3.82Å |
| 474 | E | 93 | Very high | 88 | Confident | 124 Ų | 124 | 52.8 Ų | 52.8 | 58% | 0.579 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | -29.9 | 173 | -73.8 | -179.4 | -175.4 | 0 | 0 | 112.8 | K448 A450 | K448-E474 HydrophobicContact CB-CG 4Å; K448-E474 WeakPolarHBondContact CB-OE1 3.29Å; K448-E474 WeakPolarHBondContact CB-OE2 3.49Å; K448-E474 WeakPolarHBondContact CD-OE1 3.44Å; K448-E474 WeakPolarHBondContact CD-OE2 3.08Å; K448-E474 PolarHBondContact O-N 2.93Å; A450-E474 HydrophobicContact CB-CB 4.47Å; A450-E474 HydrophobicContact CB-CG 3.88Å |
| 475 | R | 93.8 | Very high | 89.3 | Confident | 98 Ų | 98 | 51.3 Ų | 51.3 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 149 | 173.7 | 67 | 172.1 | -173.2 | 88.2 | -8.2 | 110.6 | V447 L473 D481 | V447-R475 HydrophobicContact CG1-CG 3.84Å; L473-R475 VanDerWaalsContact CB-O 3.27Å; L473-R475 WeakPolarHBondContact CB-O 3.06Å; L473-R475 PolarHBondContact O-N 3.22Å; R475-D481 IonicContact NH1-OD1 3.13Å; R475-D481 IonicContact NH1-OD2 2.69Å; R475-D481 PolarHBondContact NH1-OD2 3.5Å; R475-D481 VanDerWaalsContact NH1-OD2 3.13Å; R475-D481 IonicContact NH2-OD1 3.62Å |
| 476 | P | 93.4 | Very high | 90.2 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 40% | 0.403 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 143.2 | 172.8 | 27.7 | -34 | 0 | 0 | 0 | 111 | S406 D407 L478 | S406-P476 WeakPolarHBondContact O-CA 3.25Å; D407-P476 HydrophobicContact CB-CB 4.25Å; P476-L478 HydrophobicContact CB-CD2 4.33Å; P476-L478 HydrophobicContact CG-CD2 4.35Å |
| 477 | L | 92.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124.7 | 167.9 | -76.2 | 166.7 | 0 | 0 | 0 | 108.5 | L393 G405 S406 A432 T445 V447 L473 D481 I483 | L393-L477 HydrophobicContact CD1-CD1 4.46Å; L393-L477 HydrophobicContact CD2-CB 3.99Å; G405-L477 CarbonylContact C-O 3.35Å; G405-L477 WeakPolarHBondContact CA-O 3.12Å; S406-L477 PolarHBondContact N-O 2.88Å; S406-L477 VanDerWaalsContact N-O 3.12Å; S406-L477 PolarHBondContact O-N 2.91Å; A432-L477 HydrophobicContact CB-CD1 3.96Å; T445-L477 HydrophobicContact CG2-CD2 3.7Å; V447-L477 HydrophobicContact CG2-CD1 4.4Å; V447-L477 HydrophobicContact CG2-CD2 3.52Å; V447-L477 HydrophobicContact CG2-CG 4.06Å; L473-L477 HydrophobicContact CD1-CD1 3.51Å; L473-L477 HydrophobicContact CD1-CG 3.82Å; L477-D481 HydrophobicContact CD2-CB 3.95Å; L477-I483 HydrophobicContact CB-CD1 3.94Å; L477-I483 HydrophobicContact CB-CG2 4.37Å; L477-I483 HydrophobicContact CD1-CD1 3.85Å; L477-I483 HydrophobicContact CD2-CD1 3.81Å; L477-I483 HydrophobicContact CG-CD1 4.07Å |
| 478 | L | 90.7 | Very high | 91.2 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 36% | 0.356 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 169.5 | -173.5 | -56.6 | 179.2 | 0 | 0 | 0 | 110.7 | P476 R480 D481 | P476-L478 HydrophobicContact CB-CD2 4.33Å; P476-L478 HydrophobicContact CG-CD2 4.35Å; L478-R480 PolarHBondContact O-N 3Å; L478-R480 VanDerWaalsContact O-N 3.08Å; L478-D481 PolarHBondContact N-OD2 2.9Å; L478-D481 WeakPolarHBondContact O-CA 3Å; L478-D481 VanDerWaalsContact O-CB 3.3Å; L478-D481 WeakPolarHBondContact O-CB 3.46Å; L478-D481 PolarHBondContact O-N 2.88Å |
| 479 | R | 83.1 | Confident | 91.1 | Very high | 92 Ų | 92 | 45 Ų | 45 | 35% | 0.347 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -52.4 | -33.1 | 171.8 | -179.8 | 175.6 | 170.1 | -179.5 | -3.7 | 114 | T355 F356 N404 D481 N482 I483 | T355-R479 VanDerWaalsContact CB-CZ 3.48Å; T355-R479 PolarHBondContact O-NH2 2.82Å; F356-R479 HydrophobicContact CE1-CG 4.26Å; F356-R479 HydrophobicContact CZ-CG 4.44Å; N404-R479 PolarHBondContact O-N 2.84Å; R479-D481 PolarHBondContact O-N 2.96Å; R479-N482 PolarHBondContact O-N 3.49Å; R479-I483 WeakPolarHBondContact CA-O 3.32Å |
| 480 | R | 83 | Confident | 90.7 | Very high | 232 Ų | 232 | 50.8 Ų | 50.8 | 88% | 0.875 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -65.8 | -21 | 177.8 | -64.3 | -179.3 | -177.6 | 157.7 | 0.6 | 112.8 | L478 N482 | L478-R480 PolarHBondContact O-N 3Å; L478-R480 VanDerWaalsContact O-N 3.08Å; R480-N482 PolarHBondContact O-N 3.25Å |
| 481 | D | 86.2 | Confident | 90.2 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -83.9 | 13.3 | 173.1 | -59.3 | -54.2 | 0 | 0 | 0 | 112.3 | T445 R475 L477 L478 R479 I483 | T445-D481 HydrophobicContact CG2-CB 4.12Å; T445-D481 WeakPolarHBondContact CG2-OD1 3.43Å; R475-D481 IonicContact NH1-OD1 3.13Å; R475-D481 IonicContact NH1-OD2 2.69Å; R475-D481 PolarHBondContact NH1-OD2 3.5Å; R475-D481 VanDerWaalsContact NH1-OD2 3.13Å; R475-D481 IonicContact NH2-OD1 3.62Å; L477-D481 HydrophobicContact CD2-CB 3.95Å; L478-D481 PolarHBondContact N-OD2 2.9Å; L478-D481 WeakPolarHBondContact O-CA 3Å; L478-D481 VanDerWaalsContact O-CB 3.3Å; L478-D481 WeakPolarHBondContact O-CB 3.46Å; L478-D481 PolarHBondContact O-N 2.88Å; R479-D481 PolarHBondContact O-N 2.96Å; D481-I483 VanDerWaalsContact C-N 3.34Å; D481-I483 HydrophobicContact CB-CD1 3.91Å; D481-I483 WeakPolarHBondContact O-CD1 3.33Å; D481-I483 WeakPolarHBondContact O-CG1 3.32Å; D481-I483 PolarHBondContact O-N 3.07Å |
| 482 | N | 84.4 | Confident | 89.5 | Confident | 95 Ų | 95 | 59 Ų | 59 | 51% | 0.508 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 36.4 | -175.5 | -63.6 | -33.8 | 0 | 0 | 0 | 114.3 | R479 R480 | R479-N482 PolarHBondContact O-N 3.49Å; R480-N482 PolarHBondContact O-N 3.25Å |
| 483 | I | 89.8 | Confident | 89 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | trans | -128.8 | 143.6 | -173.8 | -69.1 | 156 | 0 | 0 | 0 | 111.1 | P374 L393 A432 L477 R479 D481 | P374-I483 VanDerWaalsContact O-CA 3.23Å; P374-I483 WeakPolarHBondContact O-CA 3.27Å; P374-I483 WeakPolarHBondContact O-CB 3.38Å; P374-I483 WeakPolarHBondContact O-CG1 3.41Å; P374-I483 VanDerWaalsContact O-CG2 3.31Å; P374-I483 WeakPolarHBondContact O-CG2 3.42Å; L393-I483 HydrophobicContact CB-CG2 4.49Å; L393-I483 HydrophobicContact CD2-CG2 3.38Å; A432-I483 HydrophobicContact CB-CD1 3.24Å; A432-I483 HydrophobicContact CB-CG1 4.17Å; L477-I483 HydrophobicContact CB-CD1 3.94Å; L477-I483 HydrophobicContact CB-CG2 4.37Å; L477-I483 HydrophobicContact CD1-CD1 3.85Å; L477-I483 HydrophobicContact CD2-CD1 3.81Å; L477-I483 HydrophobicContact CG-CD1 4.07Å; R479-I483 WeakPolarHBondContact CA-O 3.32Å; D481-I483 VanDerWaalsContact C-N 3.34Å; D481-I483 HydrophobicContact CB-CD1 3.91Å; D481-I483 WeakPolarHBondContact O-CD1 3.33Å; D481-I483 WeakPolarHBondContact O-CG1 3.32Å; D481-I483 PolarHBondContact O-N 3.07Å | ||
| 484 | V | 91.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | trans | -135 | 127.2 | 167.1 | 169.9 | 0 | 0 | 0 | 0 | 106.9 | V348 Y349 D352 F356 P374 W375 | V348-V484 HydrophobicContact CG1-CG2 4.2Å; Y349-V484 WeakPolarHBondContact O-CG1 3.25Å; D352-V484 WeakPolarHBondContact O-CG1 3.44Å; F356-V484 HydrophobicContact CD2-CG2 4.38Å; F356-V484 HydrophobicContact CE2-CB 4.21Å; F356-V484 HydrophobicContact CE2-CG2 3.44Å; F356-V484 VanDerWaalsContact CE2-CG2 3.44Å; F356-V484 HydrophobicContact CZ-CG2 3.82Å; P374-V484 PolarHBondContact O-N 2.97Å; W375-V484 WeakPolarHBondContact CB-O 3.36Å | ||
| 485 | P | 95.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 148.1 | -179.9 | 27.1 | -33.9 | 0 | 0 | 0 | 111.7 | C350 G351 L393 H395 V403 | C350-P485 CarbonylContact C-O 3.59Å; C350-P485 WeakPolarHBondContact CA-O 3.5Å; C350-P485 WeakPolarHBondContact CB-O 3.33Å; G351-P485 PolarHBondContact N-O 2.92Å; L393-P485 HydrophobicContact CD2-CB 4.18Å; L393-P485 HydrophobicContact CG-CB 4.24Å; L393-P485 CarbonylContact O-C 3.58Å; L393-P485 VanDerWaalsContact O-CA 3.26Å; L393-P485 WeakPolarHBondContact O-CA 3.16Å; H395-P485 HydrophobicContact CB-CB 4.22Å; H395-P485 HydrophobicContact CB-CG 4.22Å; V403-P485 HydrophobicContact CG1-CG 3.74Å |
| 486 | V | 96 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 150.7 | 174.4 | 68.7 | 0 | 0 | 0 | 0 | 111.1 | W375 L393 V394 H395 V558 A565 Q567 | W375-V486 HydrophobicContact CB-CB 4.16Å; W375-V486 HydrophobicContact CB-CG1 4.46Å; W375-V486 HydrophobicContact CD2-CB 3.72Å; W375-V486 HydrophobicContact CD2-CG2 4.21Å; W375-V486 HydrophobicContact CE3-CB 4.02Å; W375-V486 HydrophobicContact CE3-CG2 4.46Å; W375-V486 HydrophobicContact CG-CB 3.78Å; W375-V486 HydrophobicContact CG-CG1 4.28Å; L393-V486 PolarHBondContact O-N 2.96Å; V394-V486 HydrophobicContact CG1-CG1 3.86Å; H395-V486 PolarHBondContact N-O 3.1Å; V486-V558 HydrophobicContact CG2-CG1 4.1Å; V486-V558 HydrophobicContact CG2-CG2 4.39Å; V486-A565 HydrophobicContact CG2-CB 4.1Å; V486-A565 WeakPolarHBondContact CG2-O 3.37Å; V486-Q567 HydrophobicContact CG1-CB 3.78Å; V486-Q567 VanDerWaalsContact CG1-OE1 3.23Å; V486-Q567 HydrophobicContact CG2-CB 4.15Å |
| 487 | C | 95.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 154.4 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | C350 A565 Y566 Q567 | C350-C487 HydrophobicContact CB-CB 4.14Å; C350-C487 WeakPolarHBondContact CB-SG 3.48Å; C350-C487 PolarHBondContact O-SG 2.85Å; C350-C487 VanDerWaalsContact SG-CA 3.54Å; C350-C487 WeakPolarHBondContact SG-CB 3.16Å; C350-C487 CovalentContact SG-SG 2.05Å; C350-C487 PolarHBondContact SG-SG 2.89Å; C487-A565 WeakPolarHBondContact CB-O 3.36Å; C487-A565 PolarHBondContact N-O 2.96Å; C487-Y566 HydrophobicContact CB-CD1 3.59Å; C487-Y566 HydrophobicContact CB-CE1 3.73Å; C487-Y566 HydrophobicContact CB-CG 4.34Å; C487-Y566 WeakPolarHBondContact O-CA 3.49Å; C487-Q567 PolarHBondContact O-N 2.77Å |
| 488 | L | 93.3 | Very high | 85.4 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 129.7 | 167.1 | -53.4 | -174.1 | 0 | 0 | 0 | 109.7 | V394 L410 I593 R597 L600 | V394-L488 HydrophobicContact CB-CD2 3.99Å; V394-L488 HydrophobicContact CG1-CD2 3.94Å; L410-L488 HydrophobicContact CD1-CD2 4.49Å; L488-I593 HydrophobicContact CD2-CD1 3.79Å; L488-I593 HydrophobicContact CD2-CG1 3.76Å; L488-R597 HydrophobicContact CD1-CG 4.04Å; L488-R597 PolarHBondContact O-NH2 3Å; L488-L600 HydrophobicContact CD1-CD1 4.35Å |
| 489 | P | 89.2 | Confident | 84.9 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 151.1 | -179.1 | 32.1 | -36.2 | 0 | 0 | 0 | 111.1 | Y566 Q567 Y568 I593 R597 | P489-Y566 HydrophobicContact CB-CD1 4.13Å; P489-Y566 HydrophobicContact CB-CG 4.47Å; P489-Q567 WeakPolarHBondContact CD-O 3.35Å; P489-Y568 HydrophobicContact CB-CD1 4.18Å; P489-Y568 HydrophobicContact CB-CE1 3.58Å; P489-Y568 HydrophobicContact CB-CE2 3.95Å; P489-Y568 VanDerWaalsContact CB-CZ 3.46Å; P489-Y568 HydrophobicContact CG-CD1 3.64Å; P489-Y568 HydrophobicContact CG-CD2 4.17Å; P489-Y568 HydrophobicContact CG-CE1 3.58Å; P489-Y568 HydrophobicContact CG-CE2 4.12Å; P489-Y568 HydrophobicContact CG-CG 3.96Å; P489-I593 HydrophobicContact CG-CG2 3.91Å; P489-R597 PolarHBondContact O-NH1 2.74Å; P489-R597 PolarHBondContact O-NH2 3.09Å |
| 490 | Q | 82.8 | Confident | 85 | Confident | 122 Ų | 122 | 48.3 Ų | 48.3 | 57% | 0.57 | 23% | 0.228 | S | C | * | . | P | Polyproline II helix | trans | -48.6 | 154.3 | -177.2 | -67.2 | 179.4 | 0 | 0 | 0 | 115.5 | R493 | Q490-R493 HydrophobicContact CB-CG 4.23Å; Q490-R493 WeakPolarHBondContact O-CB 3.45Å; Q490-R493 PolarHBondContact O-N 2.66Å; Q490-R493 VanDerWaalsContact OE1-NE 3.17Å |
| 491 | T | 80.9 | Confident | 85.4 | Confident | 69 Ų | 69 | 37.4 Ų | 37.4 | 42% | 0.423 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 142.2 | -169.3 | -38.5 | 0 | 0 | 0 | 0 | 112.2 | R493 D594 | T491-R493 PolarHBondContact O-N 2.82Å; T491-D594 WeakPolarHBondContact CA-OD1 3.48Å |
| 492 | H | 77.4 | Confident | 85.7 | Confident | 116 Ų | 116 | 36.7 Ų | 36.7 | 54% | 0.537 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 21.3 | -179.2 | -52.8 | 100 | 0 | 0 | 0 | 114.2 | D594 | H492-D594 WeakPolarHBondContact CA-OD2 3.24Å; H492-D594 IonicContact CD2-OD2 3.73Å; H492-D594 IonicContact CG-OD2 3.7Å; H492-D594 VanDerWaalsContact N-CG 3.34Å; H492-D594 PolarHBondContact N-OD1 3.02Å; H492-D594 VanDerWaalsContact N-OD1 3.11Å; H492-D594 PolarHBondContact N-OD2 3.38Å |
| 493 | R | 82.6 | Confident | 86.2 | Confident | 142 Ų | 142 | 32.1 Ų | 32.1 | 54% | 0.536 | 16% | 0.159 | S | C | . | . | P | Polyproline II helix | trans | -101.3 | 128.3 | 174.7 | -63.5 | -159.9 | -179.6 | -166.4 | -3.4 | 111.5 | Q490 T491 Y568 | Q490-R493 HydrophobicContact CB-CG 4.23Å; Q490-R493 WeakPolarHBondContact O-CB 3.45Å; Q490-R493 PolarHBondContact O-N 2.66Å; Q490-R493 VanDerWaalsContact OE1-NE 3.17Å; T491-R493 PolarHBondContact O-N 2.82Å; R493-Y568 WeakPolarHBondContact O-CD1 3.37Å; R493-Y568 VanDerWaalsContact O-CE1 3.29Å; R493-Y568 WeakPolarHBondContact O-CE1 3.48Å |
| 494 | V | 85.9 | Confident | 86.4 | Confident | 58 Ų | 58 | 32 Ų | 32 | 35% | 0.352 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -86.2 | 162.1 | 166.6 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | A524 R525 L540 Y568 | V494-A524 HydrophobicContact CB-CB 4.02Å; V494-A524 HydrophobicContact CG1-CB 4.17Å; V494-A524 HydrophobicContact CG2-CB 4.41Å; V494-R525 HydrophobicContact CG1-CG 4.32Å; V494-L540 HydrophobicContact CB-CD2 4.48Å; V494-L540 HydrophobicContact CG1-CD2 3.81Å; V494-Y568 WeakPolarHBondContact O-CE1 3.42Å |
| 495 | P | 87 | Confident | 86.4 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -55.1 | 130.7 | 174.6 | -24 | 31.7 | 0 | 0 | 0 | 111 | I520 M557 Y568 | P495-I520 HydrophobicContact CB-CG1 4.14Å; P495-I520 HydrophobicContact CG-CD1 4.35Å; P495-I520 HydrophobicContact CG-CG1 4.19Å; P495-M557 HydrophobicContact CG-CE 4.07Å; P495-Y568 HydrophobicContact CB-CD1 4.4Å; P495-Y568 HydrophobicContact CB-CD2 4.41Å; P495-Y568 HydrophobicContact CB-CE1 4.48Å; P495-Y568 HydrophobicContact CB-CE2 4.5Å; P495-Y568 HydrophobicContact CB-CG 4.33Å; P495-Y568 VanDerWaalsContact CD-CD1 3.42Å; P495-Y568 HydrophobicContact CG-CD1 3.68Å; P495-Y568 HydrophobicContact CG-CD2 4.02Å; P495-Y568 HydrophobicContact CG-CE1 4.23Å; P495-Y568 HydrophobicContact CG-CG 3.54Å; P495-Y568 VanDerWaalsContact N-CE1 3.32Å |
| 496 | P | 78.4 | Confident | 86.2 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 155.2 | 178 | 30.4 | -33.2 | 0 | 0 | 0 | 110.4 | F498 A499 L561 Y996 | P496-F498 VanDerWaalsContact C-N 3.27Å; P496-F498 HydrophobicContact CB-CD1 4Å; P496-F498 HydrophobicContact CB-CE1 3.45Å; P496-F498 VanDerWaalsContact CB-CE1 3.45Å; P496-F498 HydrophobicContact CB-CZ 3.99Å; P496-F498 HydrophobicContact CG-CD1 4.45Å; P496-F498 HydrophobicContact CG-CE1 3.78Å; P496-F498 HydrophobicContact CG-CE2 4.41Å; P496-F498 HydrophobicContact CG-CZ 3.78Å; P496-F498 PolarHBondContact O-N 3.46Å; P496-A499 HydrophobicContact CG-CB 4.03Å; P496-A499 WeakPolarHBondContact O-CB 3.34Å; P496-A499 PolarHBondContact O-N 3.05Å; P496-L561 HydrophobicContact CG-CD1 4.27Å; P496-L561 HydrophobicContact CG-CD2 3.53Å; P496-Y996 WeakPolarHBondContact CB-OH 3.26Å |
| 497 | P | 68.8 | Low | 85.8 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 21% | 0.214 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.4 | -167.9 | -24.6 | 37 | 0 | 0 | 0 | 115.6 | A499 Y993 Y996 | P497-A499 VanDerWaalsContact C-N 3.3Å; P497-Y993 HydrophobicContact CB-CD1 3.56Å; P497-Y993 HydrophobicContact CB-CE1 3.07Å; P497-Y993 HydrophobicContact CB-CG 4.48Å; P497-Y993 HydrophobicContact CG-CD1 3.47Å; P497-Y993 VanDerWaalsContact CG-CD1 3.47Å; P497-Y993 HydrophobicContact CG-CE1 3.22Å; P497-Y996 HydrophobicContact CG-CE2 4.42Å |
| 498 | F | 72.5 | Confident | 85.3 | Confident | 70 Ų | 70 | 38.3 Ų | 38.3 | 31% | 0.307 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -6.4 | 175.9 | 64.7 | -88.4 | 0 | 0 | 0 | 112.9 | P496 L561 Y996 L999 L1070 | P496-F498 VanDerWaalsContact C-N 3.27Å; P496-F498 HydrophobicContact CB-CD1 4Å; P496-F498 HydrophobicContact CB-CE1 3.45Å; P496-F498 VanDerWaalsContact CB-CE1 3.45Å; P496-F498 HydrophobicContact CB-CZ 3.99Å; P496-F498 HydrophobicContact CG-CD1 4.45Å; P496-F498 HydrophobicContact CG-CE1 3.78Å; P496-F498 HydrophobicContact CG-CE2 4.41Å; P496-F498 HydrophobicContact CG-CZ 3.78Å; P496-F498 PolarHBondContact O-N 3.46Å; F498-L561 HydrophobicContact CE2-CD2 3.85Å; F498-L561 HydrophobicContact CZ-CD2 4.2Å; F498-Y996 AromaticContact CD1-CD1 3.83Å; F498-Y996 HydrophobicContact CD1-CD1 3.83Å; F498-Y996 AromaticContact CD1-CE1 3.79Å; F498-Y996 HydrophobicContact CD1-CE1 3.79Å; F498-Y996 HydrophobicContact CD1-CG 4.3Å; F498-Y996 AromaticContact CE1-CD1 3.6Å; F498-Y996 HydrophobicContact CE1-CD1 3.6Å; F498-Y996 AromaticContact CE1-CE1 3.2Å; F498-Y996 HydrophobicContact CE1-CE1 3.2Å; F498-Y996 HydrophobicContact CE1-CG 4.47Å; F498-Y996 AromaticContact CE1-CZ 3.73Å; F498-Y996 HydrophobicContact CZ-CE1 4.22Å; F498-L999 HydrophobicContact CB-CD1 4.34Å; F498-L1070 HydrophobicContact CB-CD1 3.99Å; F498-L1070 HydrophobicContact CB-CD2 3.84Å |
| 499 | A | 79.9 | Confident | 84.7 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | trans | -69.1 | 143.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P496 P497 C559 L561 | P496-A499 HydrophobicContact CG-CB 4.03Å; P496-A499 WeakPolarHBondContact O-CB 3.34Å; P496-A499 PolarHBondContact O-N 3.05Å; P497-A499 VanDerWaalsContact C-N 3.3Å; A499-C559 HydrophobicContact CB-CB 4.11Å; A499-L561 HydrophobicContact CB-CD2 3.6Å | ||
| 500 | S | 85.4 | Confident | 84.1 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 108.6 | 168.3 | -59.1 | 0 | 0 | 0 | 0 | 108.7 | C559 L560 K1062 | S500-C559 WeakPolarHBondContact O-CA 3.49Å; S500-L560 PolarHBondContact O-N 3.5Å; S500-K1062 PolarHBondContact OG-NZ 3.37Å |
| 501 | C | 91.1 | Very high | 84.2 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.7 | -177.7 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | I517 V518 I520 V558 C559 | C501-I517 WeakPolarHBondContact O-CA 3.49Å; C501-I517 WeakPolarHBondContact O-CG1 2.9Å; C501-V518 HydrophobicContact CB-CG2 4.04Å; C501-V518 PolarHBondContact O-N 2Å; C501-I520 HydrophobicContact CB-CD1 4.06Å; C501-I520 HydrophobicContact CB-CG1 4.24Å; C501-V558 CarbonylContact C-O 3.58Å; C501-V558 WeakPolarHBondContact CA-O 3.1Å; C501-C559 HydrophobicContact CB-CB 4.12Å; C501-C559 WeakPolarHBondContact CB-SG 3.34Å; C501-C559 WeakPolarHBondContact SG-CB 3.11Å; C501-C559 CovalentContact SG-SG 2.04Å; C501-C559 PolarHBondContact SG-SG 2.84Å |
| 502 | Y | 92.6 | Very high | 84.4 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 144.1 | -177.6 | -62.8 | -92.6 | 0 | 0 | 0 | 110.1 | V364 E516 I517 M557 V558 L560 | V364-Y502 HydrophobicContact CB-CD1 4.21Å; V364-Y502 HydrophobicContact CB-CE1 3.66Å; V364-Y502 HydrophobicContact CG1-CD1 3.6Å; V364-Y502 HydrophobicContact CG1-CD2 4.34Å; V364-Y502 HydrophobicContact CG1-CE1 3.56Å; V364-Y502 HydrophobicContact CG1-CE2 4.32Å; V364-Y502 HydrophobicContact CG1-CG 4.01Å; V364-Y502 HydrophobicContact CG2-CE1 4.09Å; V364-Y502 HydrophobicContact CG2-CE2 4.36Å; Y502-E516 CarbonylContact C-O 3.58Å; Y502-E516 WeakPolarHBondContact CA-O 3.18Å; Y502-I517 HydrophobicContact CD1-CB 3.95Å; Y502-I517 HydrophobicContact CD1-CG1 4.41Å; Y502-I517 HydrophobicContact CE1-CB 3.66Å; Y502-I517 HydrophobicContact CE1-CD1 4.33Å; Y502-I517 HydrophobicContact CE1-CG1 4Å; Y502-M557 WeakPolarHBondContact O-CA 3.25Å; Y502-V558 PolarHBondContact N-O 3.13Å; Y502-V558 PolarHBondContact O-N 2.88Å; Y502-L560 HydrophobicContact CD2-CD1 4.25Å; Y502-L560 HydrophobicContact CD2-CG 4.19Å; Y502-L560 HydrophobicContact CE2-CD1 3.78Å; Y502-L560 HydrophobicContact CE2-CG 4.08Å |
| 503 | V | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.5 | 169.1 | 71.6 | 0 | 0 | 0 | 0 | 109.8 | E516 V518 Q552 Y590 | V503-E516 PolarHBondContact N-O 3.07Å; V503-E516 PolarHBondContact O-N 3.15Å; V503-V518 HydrophobicContact CB-CG1 4.1Å; V503-V518 HydrophobicContact CG1-CG1 3.49Å; V503-V518 VanDerWaalsContact CG1-CG1 3.49Å; V503-Q552 HydrophobicContact CG2-CG 4.26Å; V503-Y590 HydrophobicContact CG2-CE1 3.87Å; V503-Y590 WeakPolarHBondContact CG2-OH 2.96Å |
| 504 | S | 93.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 145.3 | 176.2 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | N376 E515 S555 | N376-S504 WeakPolarHBondContact ND2-CB 3.45Å; N376-S504 PolarHBondContact ND2-OG 3.12Å; S504-E515 WeakPolarHBondContact CA-OE2 3.43Å; S504-E515 WeakPolarHBondContact CB-OE2 3.47Å; S504-E515 PolarHBondContact OG-OE2 2.71Å; S504-S555 WeakPolarHBondContact O-CB 3.29Å; S504-S555 PolarHBondContact O-OG 2.99Å |
| 505 | Y | 92.1 | Very high | 85.2 | Confident | 27 Ų | 27 | 33.8 Ų | 33.8 | 11% | 0.106 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 152.9 | 171.2 | 62.8 | -89.7 | 0 | 0 | 0 | 110.6 | D507 I513 D514 E516 H550 I551 | Y505-D507 HydrophobicContact CE2-CB 4.22Å; Y505-I513 VanDerWaalsContact O-CA 3.27Å; Y505-I513 WeakPolarHBondContact O-CA 3.42Å; Y505-I513 WeakPolarHBondContact O-CG2 3.18Å; Y505-D514 WeakPolarHBondContact CD1-O 3.35Å; Y505-D514 HydrophobicContact CE1-CB 4.04Å; Y505-D514 HydrophobicContact CE2-CB 3.82Å; Y505-D514 PolarHBondContact N-O 3.44Å; Y505-D514 PolarHBondContact O-N 2.92Å; Y505-D514 WeakPolarHBondContact OH-CB 3.39Å; Y505-E516 HydrophobicContact CD1-CB 4.33Å; Y505-E516 HydrophobicContact CE1-CB 3.82Å; Y505-H550 HydrophobicContact CD2-CB 4.16Å; Y505-H550 AromaticContact CD2-CD2 3.01Å; Y505-H550 WeakPolarHBondContact CD2-CD2 3.38Å; Y505-H550 AromaticContact CD2-CG 3.67Å; Y505-H550 AromaticContact CD2-NE2 3.57Å; Y505-H550 AromaticContact CE2-CD2 3.15Å; Y505-H550 WeakPolarHBondContact CE2-CD2 3.46Å; Y505-H550 AromaticContact CE2-NE2 3.14Å; Y505-H550 WeakPolarHBondContact CE2-NE2 3.17Å; Y505-H550 AromaticContact CG-CD2 3.59Å; Y505-H550 AromaticContact CZ-CD2 3.85Å; Y505-H550 AromaticContact CZ-NE2 3.74Å; Y505-I551 WeakPolarHBondContact CA-O 3.01Å |
| 506 | Y | 91.3 | Very high | 85.1 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.9 | 171.1 | 173.6 | -93.6 | 0 | 0 | 0 | 110 | I387 F437 K508 H511 I513 H550 I551 | I387-Y506 HydrophobicContact CD1-CD1 3.79Å; I387-Y506 HydrophobicContact CD1-CD2 3.83Å; I387-Y506 HydrophobicContact CD1-CE1 3.39Å; I387-Y506 HydrophobicContact CD1-CE2 3.44Å; I387-Y506 VanDerWaalsContact CD1-CE2 3.44Å; I387-Y506 HydrophobicContact CD1-CG 3.98Å; F437-Y506 WeakPolarHBondContact O-CE2 3.19Å; F437-Y506 PolarHBondContact O-OH 3.36Å; Y506-K508 HydrophobicContact CD1-CG 4.22Å; Y506-K508 HydrophobicContact CE1-CB 4.45Å; Y506-K508 HydrophobicContact CE1-CG 4.09Å; Y506-K508 PolarHBondContact O-N 3.38Å; Y506-H511 PolarHBondContact OH-ND1 2.99Å; Y506-I513 HydrophobicContact CD2-CG1 4.03Å; Y506-H550 WeakPolarHBondContact O-CA 3.28Å; Y506-I551 HydrophobicContact CD1-CB 4.46Å; Y506-I551 HydrophobicContact CD1-CD1 3.88Å; Y506-I551 HydrophobicContact CD1-CG1 4.22Å; Y506-I551 HydrophobicContact CE1-CD1 4.41Å; Y506-I551 PolarHBondContact N-O 2.8Å; Y506-I551 PolarHBondContact O-N 3.16Å |
| 507 | D | 88.1 | Confident | 85.5 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 113.4 | 173.7 | -170.7 | -37 | 0 | 0 | 0 | 109.8 | Y505 R509 E510 H511 R512 H550 | Y505-D507 HydrophobicContact CE2-CB 4.22Å; D507-R509 VanDerWaalsContact C-N 3.26Å; D507-R509 PolarHBondContact O-N 3.06Å; D507-R509 WeakPolarHBondContact OD1-CA 3.5Å; D507-R509 VanDerWaalsContact OD1-CB 3.28Å; D507-R509 WeakPolarHBondContact OD1-CB 3.46Å; D507-R509 PolarHBondContact OD1-N 2.94Å; D507-E510 HydrophobicContact CB-CB 4.16Å; D507-E510 PolarHBondContact O-N 2.87Å; D507-E510 PolarHBondContact OD1-N 2.9Å; D507-E510 VanDerWaalsContact OD1-N 3.15Å; D507-H511 WeakPolarHBondContact O-CA 3.03Å; D507-H511 PolarHBondContact O-N 2.58Å; D507-R512 PolarHBondContact N-O 2.85Å; D507-H550 IonicContact OD2-CE1 3.22Å |
| 508 | K | 84.6 | Confident | 86.3 | Confident | 80 Ų | 80 | 34 Ų | 34 | 35% | 0.348 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.6 | 179.3 | -67.1 | -177.4 | 178.7 | -178 | 0 | 113.2 | Y506 H511 L549 I551 | Y506-K508 HydrophobicContact CD1-CG 4.22Å; Y506-K508 HydrophobicContact CE1-CB 4.45Å; Y506-K508 HydrophobicContact CE1-CG 4.09Å; Y506-K508 PolarHBondContact O-N 3.38Å; K508-H511 PolarHBondContact O-CE1 3.24Å; K508-H511 VanDerWaalsContact O-CE1 3.27Å; K508-H511 PolarHBondContact O-ND1 3.03Å; K508-L549 WeakPolarHBondContact CB-O 3.26Å; K508-L549 PolarHBondContact N-O 2.96Å; K508-L549 VanDerWaalsContact N-O 3.08Å; K508-I551 HydrophobicContact CD-CG1 4.41Å; K508-I551 VanDerWaalsContact CE-CG1 3.41Å; K508-I551 HydrophobicContact CG-CD1 4.35Å; K508-I551 HydrophobicContact CG-CG1 4.2Å |
| 509 | R | 80.3 | Confident | 86.7 | Confident | 188 Ų | 188 | 31.5 Ų | 31.5 | 71% | 0.709 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -43.7 | 179.3 | -65.3 | -177.6 | 163.3 | 165.5 | 5.5 | 111.4 | D507 L549 | D507-R509 VanDerWaalsContact C-N 3.26Å; D507-R509 PolarHBondContact O-N 3.06Å; D507-R509 WeakPolarHBondContact OD1-CA 3.5Å; D507-R509 VanDerWaalsContact OD1-CB 3.28Å; D507-R509 WeakPolarHBondContact OD1-CB 3.46Å; D507-R509 PolarHBondContact OD1-N 2.94Å; R509-L549 HydrophobicContact CG-CD1 3.9Å |
| 510 | E | 78.3 | Confident | 86.9 | Confident | 49 Ų | 49 | 31.8 Ų | 31.8 | 23% | 0.229 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -9.9 | -175.8 | -63 | -57.4 | 145.8 | 0 | 0 | 113.7 | K98 D507 R512 | K98-E510 VanDerWaalsContact CD-OE2 3.25Å; K98-E510 WeakPolarHBondContact CD-OE2 3.17Å; K98-E510 WeakPolarHBondContact CE-OE1 3.48Å; K98-E510 VanDerWaalsContact NZ-CD 3.35Å; K98-E510 IonicContact NZ-OE1 3.13Å; K98-E510 PolarHBondContact NZ-OE1 3.34Å; K98-E510 IonicContact NZ-OE2 3.74Å; D507-E510 HydrophobicContact CB-CB 4.16Å; D507-E510 PolarHBondContact O-N 2.87Å; D507-E510 PolarHBondContact OD1-N 2.9Å; D507-E510 VanDerWaalsContact OD1-N 3.15Å; E510-R512 VanDerWaalsContact C-N 3.28Å; E510-R512 HydrophobicContact CB-CG 3.84Å; E510-R512 PolarHBondContact O-N 2.97Å |
| 511 | H | 84 | Confident | 86.5 | Confident | 82 Ų | 82 | 31.6 Ų | 31.6 | 38% | 0.38 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 45.6 | -177.1 | -63 | -55.5 | 0 | 0 | 0 | 112.4 | R436 F437 Y506 D507 K508 | R436-H511 WeakPolarHBondContact CA-O 3.41Å; F437-H511 PolarHBondContact N-O 2.74Å; F437-H511 VanDerWaalsContact N-O 3.07Å; F437-H511 CarbonylContact O-C 3.51Å; F437-H511 VanDerWaalsContact O-O 3.12Å; Y506-H511 PolarHBondContact OH-ND1 2.99Å; D507-H511 WeakPolarHBondContact O-CA 3.03Å; D507-H511 PolarHBondContact O-N 2.58Å; K508-H511 PolarHBondContact O-CE1 3.24Å; K508-H511 VanDerWaalsContact O-CE1 3.27Å; K508-H511 PolarHBondContact O-ND1 3.03Å |
| 512 | R | 85.1 | Confident | 85.5 | Confident | 56 Ų | 56 | 34.4 Ų | 34.4 | 21% | 0.211 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 163.4 | -178.9 | 73.7 | -177.3 | -176.6 | 157 | 7.4 | 111.7 | S435 R436 D507 E510 D514 | S435-R512 WeakPolarHBondContact O-CA 3.21Å; S435-R512 WeakPolarHBondContact O-CB 3.34Å; R436-R512 HydrophobicContact CG-CB 4.12Å; D507-R512 PolarHBondContact N-O 2.85Å; E510-R512 VanDerWaalsContact C-N 3.28Å; E510-R512 HydrophobicContact CB-CG 3.84Å; E510-R512 PolarHBondContact O-N 2.97Å; R512-D514 VanDerWaalsContact CZ-CG 3.49Å; R512-D514 IonicContact CZ-OD1 3.1Å; R512-D514 IonicContact CZ-OD2 3.7Å; R512-D514 VanDerWaalsContact NE-CG 3.32Å; R512-D514 IonicContact NE-OD1 3.79Å; R512-D514 PolarHBondContact NE-OD1 2.82Å; R512-D514 VanDerWaalsContact NE-OD1 3.1Å; R512-D514 IonicContact NE-OD2 3.7Å; R512-D514 PolarHBondContact NE-OD2 2.86Å; R512-D514 IonicContact NH1-OD1 3.22Å; R512-D514 VanDerWaalsContact NH2-CG 3.32Å; R512-D514 IonicContact NH2-OD1 3.71Å; R512-D514 PolarHBondContact NH2-OD1 3.48Å; R512-D514 VanDerWaalsContact NH2-OD1 3.13Å; R512-D514 IonicContact NH2-OD2 2.65Å; R512-D514 PolarHBondContact NH2-OD2 3.43Å |
| 513 | I | 87.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.9 | 170.5 | -63.6 | 173.5 | 0 | 0 | 0 | 108.6 | M372 I378 L390 S435 Y505 Y506 | M372-I513 HydrophobicContact CB-CB 4.17Å; M372-I513 HydrophobicContact CB-CG2 4.26Å; M372-I513 HydrophobicContact CG-CB 3.84Å; M372-I513 HydrophobicContact CG-CD1 4.48Å; M372-I513 HydrophobicContact CG-CG2 3.57Å; M372-I513 HydrophobicContact SD-CB 3.55Å; M372-I513 VanDerWaalsContact SD-CB 3.55Å; M372-I513 HydrophobicContact SD-CD1 3.16Å; M372-I513 WeakPolarHBondContact SD-CD1 3.27Å; M372-I513 HydrophobicContact SD-CG1 3.86Å; M372-I513 HydrophobicContact SD-CG2 3.67Å; I378-I513 HydrophobicContact CD1-CD1 3.59Å; I378-I513 HydrophobicContact CD1-CG1 4.37Å; I378-I513 HydrophobicContact CG1-CD1 3.47Å; I378-I513 VanDerWaalsContact CG1-CD1 3.47Å; L390-I513 HydrophobicContact CD2-CD1 3.39Å; L390-I513 HydrophobicContact CD2-CG1 3.93Å; L390-I513 HydrophobicContact CD2-CG2 4.21Å; S435-I513 PolarHBondContact O-N 3.26Å; Y505-I513 VanDerWaalsContact O-CA 3.27Å; Y505-I513 WeakPolarHBondContact O-CA 3.42Å; Y505-I513 WeakPolarHBondContact O-CG2 3.18Å; Y506-I513 HydrophobicContact CD2-CG1 4.03Å |
| 514 | D | 86.5 | Confident | 83.9 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.6 | 175.9 | -74.8 | -41.7 | 0 | 0 | 0 | 109 | Y505 R512 | Y505-D514 WeakPolarHBondContact CD1-O 3.35Å; Y505-D514 HydrophobicContact CE1-CB 4.04Å; Y505-D514 HydrophobicContact CE2-CB 3.82Å; Y505-D514 PolarHBondContact N-O 3.44Å; Y505-D514 PolarHBondContact O-N 2.92Å; Y505-D514 WeakPolarHBondContact OH-CB 3.39Å; R512-D514 VanDerWaalsContact CZ-CG 3.49Å; R512-D514 IonicContact CZ-OD1 3.1Å; R512-D514 IonicContact CZ-OD2 3.7Å; R512-D514 VanDerWaalsContact NE-CG 3.32Å; R512-D514 IonicContact NE-OD1 3.79Å; R512-D514 PolarHBondContact NE-OD1 2.82Å; R512-D514 VanDerWaalsContact NE-OD1 3.1Å; R512-D514 IonicContact NE-OD2 3.7Å; R512-D514 PolarHBondContact NE-OD2 2.86Å; R512-D514 IonicContact NH1-OD1 3.22Å; R512-D514 VanDerWaalsContact NH2-CG 3.32Å; R512-D514 IonicContact NH2-OD1 3.71Å; R512-D514 PolarHBondContact NH2-OD1 3.48Å; R512-D514 VanDerWaalsContact NH2-OD1 3.13Å; R512-D514 IonicContact NH2-OD2 2.65Å; R512-D514 PolarHBondContact NH2-OD2 3.43Å |
| 515 | E | 88.8 | Confident | 83.3 | Confident | 29 Ų | 29 | 40 Ų | 40 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136.2 | -175.3 | -40.8 | -56.2 | 174.2 | 0 | 0 | 110.1 | V364 F373 N376 S504 | V364-E515 HydrophobicContact CG1-CB 4.15Å; F373-E515 HydrophobicContact CD2-CB 4.44Å; F373-E515 HydrophobicContact CD2-CG 3.67Å; F373-E515 WeakPolarHBondContact CD2-OE1 3.1Å; F373-E515 HydrophobicContact CE2-CB 3.92Å; F373-E515 HydrophobicContact CE2-CG 3.59Å; F373-E515 HydrophobicContact CG-CG 4.43Å; F373-E515 HydrophobicContact CZ-CG 4.3Å; F373-E515 PolarHBondContact N-OE1 2.97Å; F373-E515 VanDerWaalsContact N-OE1 3.08Å; N376-E515 PolarHBondContact ND2-OE1 3.19Å; N376-E515 VanDerWaalsContact ND2-OE1 3.08Å; S504-E515 WeakPolarHBondContact CA-OE2 3.43Å; S504-E515 WeakPolarHBondContact CB-OE2 3.47Å; S504-E515 PolarHBondContact OG-OE2 2.71Å |
| 516 | E | 85.8 | Confident | 82.4 | Confident | 52 Ų | 52 | 40 Ų | 40 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.4 | 179 | 177.8 | 162.2 | -144.2 | 0 | 0 | 111.2 | Y502 V503 Y505 K547 | Y502-E516 CarbonylContact C-O 3.58Å; Y502-E516 WeakPolarHBondContact CA-O 3.18Å; V503-E516 PolarHBondContact N-O 3.07Å; V503-E516 PolarHBondContact O-N 3.15Å; Y505-E516 HydrophobicContact CD1-CB 4.33Å; Y505-E516 HydrophobicContact CE1-CB 3.82Å; E516-K547 IonicContact OE1-NZ 2.67Å; E516-K547 PolarHBondContact OE1-NZ 3.16Å; E516-K547 IonicContact OE2-NZ 2.76Å; E516-K547 PolarHBondContact OE2-NZ 3.3Å |
| 517 | I | 85.2 | Confident | 81.4 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 133 | 176 | -164.7 | 170.8 | 0 | 0 | 0 | 109.8 | C501 Y502 Q1058 T1059 K1062 P1071 | C501-I517 WeakPolarHBondContact O-CA 3.49Å; C501-I517 WeakPolarHBondContact O-CG1 2.9Å; Y502-I517 HydrophobicContact CD1-CB 3.95Å; Y502-I517 HydrophobicContact CD1-CG1 4.41Å; Y502-I517 HydrophobicContact CE1-CB 3.66Å; Y502-I517 HydrophobicContact CE1-CD1 4.33Å; Y502-I517 HydrophobicContact CE1-CG1 4Å; I517-Q1058 HydrophobicContact CG2-CB 3.75Å; I517-T1059 WeakPolarHBondContact CG2-OG1 3.49Å; I517-K1062 HydrophobicContact CD1-CB 4.47Å; I517-K1062 HydrophobicContact CD1-CG 4.5Å; I517-P1071 HydrophobicContact CD1-CB 4.34Å; I517-P1071 HydrophobicContact CD1-CG 3.66Å; I517-P1071 HydrophobicContact CG1-CG 4.48Å |
| 518 | V | 86.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.1 | -178.7 | -65.4 | 0 | 0 | 0 | 0 | 111 | C501 V503 I520 A542 M557 | C501-V518 HydrophobicContact CB-CG2 4.04Å; C501-V518 PolarHBondContact O-N 2Å; V503-V518 HydrophobicContact CB-CG1 4.1Å; V503-V518 HydrophobicContact CG1-CG1 3.49Å; V503-V518 VanDerWaalsContact CG1-CG1 3.49Å; V518-I520 HydrophobicContact CG2-CD1 4.47Å; V518-A542 HydrophobicContact CB-CB 4.04Å; V518-A542 HydrophobicContact CG2-CB 4.23Å; V518-M557 HydrophobicContact CG2-CG 4.39Å |
| 519 | M | 80.7 | Confident | 78.9 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 115.5 | 173.3 | -61.3 | 176.5 | -80.2 | 0 | 0 | 109.2 | T521 A542 I543 Q1058 Y1075 | M519-T521 PolarHBondContact O-N 3.25Å; M519-A542 CarbonylContact O-C 3.47Å; M519-A542 WeakPolarHBondContact O-CA 3.49Å; M519-A542 WeakPolarHBondContact O-CB 3.48Å; M519-I543 HydrophobicContact CB-CB 4.33Å; M519-I543 HydrophobicContact CB-CD1 4.45Å; M519-I543 HydrophobicContact CE-CB 3.97Å; M519-I543 HydrophobicContact CE-CD1 4.17Å; M519-I543 HydrophobicContact CE-CG2 3.91Å; M519-I543 PolarHBondContact O-N 2.98Å; M519-Q1058 HydrophobicContact CG-CG 4Å; M519-Q1058 VanDerWaalsContact SD-CD 3.54Å; M519-Q1058 HydrophobicContact SD-CG 3.99Å; M519-Y1075 HydrophobicContact SD-CE1 4.35Å |
| 520 | I | 84.4 | Confident | 77.6 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 132.6 | 166.4 | -49.1 | -55 | 0 | 0 | 0 | 108 | P495 C501 V518 A524 A542 M557 S1072 | P495-I520 HydrophobicContact CB-CG1 4.14Å; P495-I520 HydrophobicContact CG-CD1 4.35Å; P495-I520 HydrophobicContact CG-CG1 4.19Å; C501-I520 HydrophobicContact CB-CD1 4.06Å; C501-I520 HydrophobicContact CB-CG1 4.24Å; V518-I520 HydrophobicContact CG2-CD1 4.47Å; I520-A524 HydrophobicContact CG2-CB 3.62Å; I520-A542 HydrophobicContact CD1-CB 4.21Å; I520-M557 HydrophobicContact CD1-CE 3.89Å; I520-M557 HydrophobicContact CD1-CG 4.46Å; I520-M557 HydrophobicContact CD1-SD 3.34Å; I520-M557 WeakPolarHBondContact CD1-SD 3.12Å; I520-S1072 PolarHBondContact N-OG 3.33Å; I520-S1072 PolarHBondContact O-OG 3.24Å |
| 521 | T | 76.6 | Confident | 76.3 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | trans | -62.5 | 146.7 | 173.5 | 53 | 0 | 0 | 0 | 0 | 109.3 | M519 N523 A524 C541 I543 L587 | M519-T521 PolarHBondContact O-N 3.25Å; T521-N523 VanDerWaalsContact C-N 3.27Å; T521-N523 CarbonylContact O-C 3.52Å; T521-N523 VanDerWaalsContact O-C 3.27Å; T521-N523 PolarHBondContact O-N 3.19Å; T521-N523 PolarHBondContact OG1-O 2.77Å; T521-A524 WeakPolarHBondContact O-CA 3.43Å; T521-A524 PolarHBondContact O-N 3.16Å; T521-C541 HydrophobicContact CG2-CB 4.1Å; T521-C541 PolarHBondContact N-O 2.97Å; T521-C541 VanDerWaalsContact N-O 3.08Å; T521-C541 PolarHBondContact OG1-O 3.38Å; T521-C541 VanDerWaalsContact OG1-O 3.1Å; T521-I543 HydrophobicContact CG2-CG1 4.06Å; T521-L587 HydrophobicContact CG2-CD2 4.31Å | ||
| 522 | R | 70.1 | Confident | 74.6 | Confident | 62 Ų | 62 | 38.1 Ų | 38.1 | 23% | 0.234 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -60 | -40.5 | -174.7 | -173.2 | 165.4 | 168.2 | -152.1 | -24 | 112.8 | A524 E1137 D1140 | R522-A524 PolarHBondContact O-N 2.87Å; R522-E1137 VanDerWaalsContact CB-OE1 3.26Å; R522-E1137 WeakPolarHBondContact CB-OE1 3.28Å; R522-D1140 IonicContact CZ-OD1 2.67Å; R522-D1140 IonicContact CZ-OD2 3.49Å; R522-D1140 IonicContact NH1-OD1 3.35Å; R522-D1140 PolarHBondContact NH1-OD1 3.04Å; R522-D1140 IonicContact NH1-OD2 3.71Å; R522-D1140 PolarHBondContact NH1-OD2 2.88Å; R522-D1140 IonicContact NH2-OD1 3.52Å; R522-D1140 PolarHBondContact NH2-OD1 3.24Å |
| 523 | N | 72.2 | Confident | 72.9 | Confident | 61 Ų | 61 | 40.4 Ų | 40.4 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -84.7 | 92.7 | 157.2 | -67.5 | -8.9 | 0 | 0 | 0 | 107.5 | T521 R525 C526 | T521-N523 VanDerWaalsContact C-N 3.27Å; T521-N523 CarbonylContact O-C 3.52Å; T521-N523 VanDerWaalsContact O-C 3.27Å; T521-N523 PolarHBondContact O-N 3.19Å; T521-N523 PolarHBondContact OG1-O 2.77Å; N523-R525 PolarHBondContact O-N 2.64Å; N523-C526 PolarHBondContact O-N 2.78Å |
| 524 | A | 80.1 | Confident | 71.1 | Confident | 10 Ų | 10 | 48 Ų | 48 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -56.5 | -40.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V494 I520 T521 R522 C526 L540 C541 | V494-A524 HydrophobicContact CB-CB 4.02Å; V494-A524 HydrophobicContact CG1-CB 4.17Å; V494-A524 HydrophobicContact CG2-CB 4.41Å; I520-A524 HydrophobicContact CG2-CB 3.62Å; T521-A524 WeakPolarHBondContact O-CA 3.43Å; T521-A524 PolarHBondContact O-N 3.16Å; R522-A524 PolarHBondContact O-N 2.87Å; A524-C526 VanDerWaalsContact C-N 3.32Å; A524-C526 PolarHBondContact O-N 3.2Å; A524-C526 VanDerWaalsContact O-N 3.09Å; A524-L540 HydrophobicContact CB-CD2 4Å; A524-L540 CarbonylContact O-C 3.45Å; A524-L540 VanDerWaalsContact O-CA 3.26Å; A524-L540 WeakPolarHBondContact O-CA 3.48Å; A524-C541 PolarHBondContact O-N 3.34Å |
| 525 | R | 81.3 | Confident | 69.5 | Low | 60 Ų | 60 | 49 Ų | 49 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -83.4 | 70.5 | 172.1 | -60.8 | -171.8 | -175.6 | 157.6 | 1.3 | 111.6 | V494 N523 L527 E528 G539 L540 E592 | V494-R525 HydrophobicContact CG1-CG 4.32Å; N523-R525 PolarHBondContact O-N 2.64Å; R525-L527 PolarHBondContact O-N 3.1Å; R525-L527 VanDerWaalsContact O-N 3.11Å; R525-E528 HydrophobicContact CB-CB 4.34Å; R525-E528 HydrophobicContact CB-CG 3.97Å; R525-E528 WeakPolarHBondContact CB-OE2 2.86Å; R525-E528 WeakPolarHBondContact CD-OE1 3.15Å; R525-E528 VanDerWaalsContact CD-OE2 3.24Å; R525-E528 WeakPolarHBondContact CD-OE2 3.03Å; R525-E528 IonicContact CZ-OE1 2.89Å; R525-E528 IonicContact NE-OE1 2.63Å; R525-E528 IonicContact NH1-OE1 3.34Å; R525-E528 PolarHBondContact NH1-OE1 3.03Å; R525-E528 VanDerWaalsContact NH1-OE1 3.1Å; R525-E528 IonicContact NH1-OE2 2.64Å; R525-E528 PolarHBondContact O-N 2.82Å; R525-G539 WeakPolarHBondContact CA-O 3.4Å; R525-L540 HydrophobicContact CG-CD2 3.83Å; R525-E592 IonicContact CZ-OE1 2.82Å; R525-E592 IonicContact CZ-OE2 2.74Å; R525-E592 IonicContact NE-OE1 3.06Å; R525-E592 PolarHBondContact NE-OE1 3.13Å; R525-E592 IonicContact NE-OE2 2.65Å; R525-E592 PolarHBondContact NE-OE2 3.15Å; R525-E592 IonicContact NH2-OE1 2.77Å; R525-E592 PolarHBondContact NH2-OE1 2.87Å; R525-E592 IonicContact NH2-OE2 3.25Å |
| 526 | C | 73.9 | Confident | 68.2 | Low | 25 Ų | 25 | 53.8 Ų | 53.8 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.5 | -168.4 | 82.2 | 0 | 0 | 0 | 0 | 115.1 | N523 A524 C541 | N523-C526 PolarHBondContact O-N 2.78Å; A524-C526 VanDerWaalsContact C-N 3.32Å; A524-C526 PolarHBondContact O-N 3.2Å; A524-C526 VanDerWaalsContact O-N 3.09Å; C526-C541 HydrophobicContact CB-CB 3.58Å; C526-C541 WeakPolarHBondContact CB-SG 3.1Å; C526-C541 WeakPolarHBondContact SG-CB 3.47Å; C526-C541 CovalentContact SG-SG 2.02Å; C526-C541 PolarHBondContact SG-SG 3.49Å |
| 527 | L | 70.4 | Confident | 67.2 | Low | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -22.8 | -179.8 | -58.4 | -177.8 | 0 | 0 | 0 | 114 | W459 R525 A529 A530 Y537 L575 F589 L707 | W459-L527 HydrophobicContact CH2-CD1 3.3Å; W459-L527 HydrophobicContact CZ2-CD1 3.87Å; W459-L527 HydrophobicContact CZ3-CD1 3.68Å; R525-L527 PolarHBondContact O-N 3.1Å; R525-L527 VanDerWaalsContact O-N 3.11Å; L527-A529 PolarHBondContact O-N 2.92Å; L527-A530 PolarHBondContact O-N 3.25Å; L527-Y537 HydrophobicContact CB-CD1 4.09Å; L527-Y537 HydrophobicContact CB-CD2 4.45Å; L527-Y537 HydrophobicContact CB-CE1 4.47Å; L527-Y537 HydrophobicContact CB-CG 4.06Å; L527-Y537 HydrophobicContact CD1-CD1 4.42Å; L527-L575 HydrophobicContact CD2-CD1 4.34Å; L527-F589 HydrophobicContact CD1-CD2 3.97Å; L527-F589 HydrophobicContact CD1-CE2 3.45Å; L527-F589 VanDerWaalsContact CD1-CE2 3.45Å; L527-F589 HydrophobicContact CD1-CZ 4.1Å; L527-F589 HydrophobicContact CG-CE2 4.23Å; L527-L707 HydrophobicContact CD2-CD1 3.49Å; L527-L707 VanDerWaalsContact CD2-CD1 3.49Å; L527-L707 HydrophobicContact CD2-CD2 4.17Å |
| 528 | E | 65.5 | Low | 66.9 | Low | 81 Ų | 81 | 53.9 Ų | 53.9 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -61.4 | -36.3 | 174.8 | -74.5 | -177.8 | 167.5 | 0 | 0 | 111.2 | R525 A530 | R525-E528 HydrophobicContact CB-CB 4.34Å; R525-E528 HydrophobicContact CB-CG 3.97Å; R525-E528 WeakPolarHBondContact CB-OE2 2.86Å; R525-E528 WeakPolarHBondContact CD-OE1 3.15Å; R525-E528 VanDerWaalsContact CD-OE2 3.24Å; R525-E528 WeakPolarHBondContact CD-OE2 3.03Å; R525-E528 IonicContact CZ-OE1 2.89Å; R525-E528 IonicContact NE-OE1 2.63Å; R525-E528 IonicContact NH1-OE1 3.34Å; R525-E528 PolarHBondContact NH1-OE1 3.03Å; R525-E528 VanDerWaalsContact NH1-OE1 3.1Å; R525-E528 IonicContact NH1-OE2 2.64Å; R525-E528 PolarHBondContact O-N 2.82Å; E528-A530 VanDerWaalsContact C-N 3.27Å; E528-A530 PolarHBondContact O-N 3.2Å |
| 529 | A | 54.3 | Low | 66.9 | Low | 70 Ų | 70 | 53.9 Ų | 53.9 | 58% | 0.579 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -73 | -14.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L527 | L527-A529 PolarHBondContact O-N 2.92Š|
| 530 | A | 53.7 | Low | 67.3 | Low | 55 Ų | 55 | 53 Ų | 53 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -89.5 | -17.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L527 E528 | L527-A530 PolarHBondContact O-N 3.25Å; E528-A530 VanDerWaalsContact C-N 3.27Å; E528-A530 PolarHBondContact O-N 3.2Å |
| 531 | E | 51 | Low | 67.4 | Low | 83 Ų | 83 | 52.7 Ų | 52.7 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -136.5 | 168.3 | -173.8 | -70.4 | -176.2 | 179 | 0 | 0 | 112.3 | S535 Y537 | E531-S535 PolarHBondContact OE2-OG 3.42Å; E531-Y537 HydrophobicContact CB-CE2 4.25Å; E531-Y537 PolarHBondContact OE1-OH 3.23Å; E531-Y537 WeakPolarHBondContact OE2-CE2 3.16Å; E531-Y537 PolarHBondContact OE2-OH 3.18Å |
| 532 | S | 48.5 | Very low | 68 | Low | 89 Ų | 89 | 52.5 Ų | 52.5 | 62% | 0.622 | 30% | 0.303 | S | S | * | . | trans | -49.5 | 142.9 | 179.3 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | N534 S535 | S532-N534 PolarHBondContact O-N 3.15Å; S532-S535 PolarHBondContact O-N 2.99Å | ||
| 533 | A | 49.2 | Very low | 68.6 | Low | 105 Ų | 105 | 50.7 Ų | 50.7 | 87% | 0.868 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -7.5 | -177 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 534 | N | 48.7 | Very low | 68.9 | Low | 158 Ų | 158 | 48.4 Ų | 48.4 | 85% | 0.845 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2 | 177.9 | -71.4 | 7.2 | 0 | 0 | 0 | 114.1 | S532 E536 | S532-N534 PolarHBondContact O-N 3.15Å; N534-E536 PolarHBondContact O-N 3.15Å |
| 535 | S | 51.9 | Low | 68.7 | Low | 35 Ų | 35 | 54.5 Ų | 54.5 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | trans | -85.1 | 108.1 | 177.8 | -59.2 | 0 | 0 | 0 | 0 | 111 | E531 S532 Y537 | E531-S535 PolarHBondContact OE2-OG 3.42Å; S532-S535 PolarHBondContact O-N 2.99Å; S535-Y537 VanDerWaalsContact CB-CD2 3.41Å; S535-Y537 PolarHBondContact O-N 2.93Å | ||
| 536 | E | 62.7 | Low | 68.2 | Low | 131 Ų | 131 | 57 Ų | 57 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | trans | -77.4 | 63.6 | 179 | -161.6 | -176.8 | 176.4 | 0 | 0 | 112 | N534 R538 | N534-E536 PolarHBondContact O-N 3.15Å; E536-R538 HydrophobicContact CG-CG 4.45Å; E536-R538 PolarHBondContact O-N 2.83Å | ||
| 537 | Y | 65.6 | Low | 68.4 | Low | 17 Ų | 17 | 59.4 Ų | 59.4 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | trans | -75.3 | 113 | 177 | -72.6 | -76 | 0 | 0 | 0 | 111.6 | G460 L527 E531 S535 | G460-Y537 WeakPolarHBondContact CA-OH 3.42Å; G460-Y537 VanDerWaalsContact N-CE1 3.27Å; G460-Y537 PolarHBondContact N-OH 2.01Å; G460-Y537 VanDerWaalsContact N-OH 3.15Å; L527-Y537 HydrophobicContact CB-CD1 4.09Å; L527-Y537 HydrophobicContact CB-CD2 4.45Å; L527-Y537 HydrophobicContact CB-CE1 4.47Å; L527-Y537 HydrophobicContact CB-CG 4.06Å; L527-Y537 HydrophobicContact CD1-CD1 4.42Å; E531-Y537 HydrophobicContact CB-CE2 4.25Å; E531-Y537 PolarHBondContact OE1-OH 3.23Å; E531-Y537 WeakPolarHBondContact OE2-CE2 3.16Å; E531-Y537 PolarHBondContact OE2-OH 3.18Å; S535-Y537 VanDerWaalsContact CB-CD2 3.41Å; S535-Y537 PolarHBondContact O-N 2.93Å | ||
| 538 | R | 78 | Confident | 68.2 | Low | 47 Ų | 47 | 67.9 Ų | 67.9 | 18% | 0.177 | 37% | 0.365 | C | S | . | . | trans | -105.4 | 73.8 | 178.5 | -56.7 | -172.3 | 95.5 | -167 | 13.1 | 111.9 | L457 E536 E592 V595 D598 | L457-R538 HydrophobicContact CD2-CB 4.37Å; E536-R538 HydrophobicContact CG-CG 4.45Å; E536-R538 PolarHBondContact O-N 2.83Å; R538-E592 PolarHBondContact O-N 3.13Å; R538-V595 HydrophobicContact CB-CG2 3.8Å; R538-D598 IonicContact CZ-OD2 3.63Å; R538-D598 IonicContact NH1-OD2 3.48Å; R538-D598 PolarHBondContact NH1-OD2 3.36Å; R538-D598 IonicContact NH2-OD2 3.92Å; R538-D598 PolarHBondContact NH2-OD2 2.87Å; R538-D598 VanDerWaalsContact NH2-OD2 3.16Å | ||
| 539 | G | 85.9 | Confident | 68.8 | Low | 3 Ų | 3 | 67.1 Ų | 67.1 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 153.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R525 Y590 | R525-G539 WeakPolarHBondContact CA-O 3.4Å; G539-Y590 CarbonylContact C-O 3.53Å; G539-Y590 WeakPolarHBondContact CA-O 3.37Å |
| 540 | L | 89 | Confident | 70.4 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148.6 | -178.6 | -54 | 176.2 | 0 | 0 | 0 | 110.4 | V494 A524 R525 M557 Y590 E592 | V494-L540 HydrophobicContact CB-CD2 4.48Å; V494-L540 HydrophobicContact CG1-CD2 3.81Å; A524-L540 HydrophobicContact CB-CD2 4Å; A524-L540 CarbonylContact O-C 3.45Å; A524-L540 VanDerWaalsContact O-CA 3.26Å; A524-L540 WeakPolarHBondContact O-CA 3.48Å; R525-L540 HydrophobicContact CG-CD2 3.83Å; L540-M557 HydrophobicContact CB-CE 4.21Å; L540-M557 HydrophobicContact CD1-CE 3.64Å; L540-Y590 PolarHBondContact N-O 3.43Å; L540-Y590 PolarHBondContact O-N 3.39Å; L540-E592 HydrophobicContact CG-CB 4.46Å |
| 541 | C | 87.4 | Confident | 72.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.6 | -179.7 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | T521 A524 C526 L587 G588 | T521-C541 HydrophobicContact CG2-CB 4.1Å; T521-C541 PolarHBondContact N-O 2.97Å; T521-C541 VanDerWaalsContact N-O 3.08Å; T521-C541 PolarHBondContact OG1-O 3.38Å; T521-C541 VanDerWaalsContact OG1-O 3.1Å; A524-C541 PolarHBondContact O-N 3.34Å; C526-C541 HydrophobicContact CB-CB 3.58Å; C526-C541 WeakPolarHBondContact CB-SG 3.1Å; C526-C541 WeakPolarHBondContact SG-CB 3.47Å; C526-C541 CovalentContact SG-SG 2.02Å; C526-C541 PolarHBondContact SG-SG 3.49Å; C541-L587 HydrophobicContact CB-CD1 4.46Å; C541-G588 WeakPolarHBondContact CA-O 2.97Å |
| 542 | A | 89.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V518 M519 I520 E544 L587 G588 Y590 | V518-A542 HydrophobicContact CB-CB 4.04Å; V518-A542 HydrophobicContact CG2-CB 4.23Å; M519-A542 CarbonylContact O-C 3.47Å; M519-A542 WeakPolarHBondContact O-CA 3.49Å; M519-A542 WeakPolarHBondContact O-CB 3.48Å; I520-A542 HydrophobicContact CD1-CB 4.21Å; A542-E544 PolarHBondContact O-N 2.66Å; A542-L587 CarbonylContact O-C 3.51Å; A542-L587 VanDerWaalsContact O-CA 3.24Å; A542-L587 WeakPolarHBondContact O-CA 3.34Å; A542-G588 PolarHBondContact N-O 3.37Å; A542-G588 PolarHBondContact O-N 2.02Å; A542-Y590 HydrophobicContact CB-CD2 4.45Å; A542-Y590 HydrophobicContact CB-CE2 3.79Å |
| 543 | I | 81.8 | Confident | 76.3 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 119.9 | 176.1 | -57.4 | 171.4 | 0 | 0 | 0 | 108.2 | M519 T521 L587 S1028 | M519-I543 HydrophobicContact CB-CB 4.33Å; M519-I543 HydrophobicContact CB-CD1 4.45Å; M519-I543 HydrophobicContact CE-CB 3.97Å; M519-I543 HydrophobicContact CE-CD1 4.17Å; M519-I543 HydrophobicContact CE-CG2 3.91Å; M519-I543 PolarHBondContact O-N 2.98Å; T521-I543 HydrophobicContact CG2-CG1 4.06Å; I543-L587 HydrophobicContact CB-CD2 4.28Å; I543-L587 HydrophobicContact CG1-CD2 3.81Å; I543-S1028 VanDerWaalsContact CD1-O 3.28Å; I543-S1028 WeakPolarHBondContact CD1-O 3.46Å |
| 544 | E | 79.6 | Confident | 78.6 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 6% | 0.061 | 25% | 0.25 | C | S | . | . | trans | -150.3 | 137.9 | -173.4 | -175.9 | 168 | -163.3 | 0 | 0 | 111.8 | A542 Q552 Q574 N586 Y590 | A542-E544 PolarHBondContact O-N 2.66Å; E544-Q552 VanDerWaalsContact OE1-CD 3.3Å; E544-Q552 PolarHBondContact OE1-NE2 2.82Å; E544-Q552 PolarHBondContact OE1-OE1 3.27Å; E544-Q552 PolarHBondContact OE2-NE2 3.49Å; E544-Q574 PolarHBondContact O-NE2 2.56Å; E544-N586 PolarHBondContact N-O 2.92Å; E544-N586 CarbonylContact O-C 3.46Å; E544-N586 WeakPolarHBondContact O-CB 3.31Å; E544-N586 VanDerWaalsContact O-O 3.06Å; E544-Y590 PolarHBondContact OE2-OH 2.79Å | ||
| 545 | E | 74.4 | Confident | 80.8 | Confident | 137 Ų | 137 | 45.7 Ų | 45.7 | 64% | 0.64 | 21% | 0.21 | S | C | * | . | trans | -84.3 | 145 | 177.3 | -64.4 | -170.3 | 172.3 | 0 | 0 | 111.9 | K547 | E545-K547 PolarHBondContact O-N 2.92Š| ||
| 546 | R | 70.8 | Confident | 83 | Confident | 114 Ų | 114 | 44 Ų | 44 | 43% | 0.43 | 20% | 0.198 | S | C | . | . | trans | -76.5 | 119.8 | 178.4 | -175.4 | 170.7 | 175 | 155.8 | 1.2 | 110.7 | Q574 T702 | R546-Q574 VanDerWaalsContact CB-OE1 3.24Å; R546-T702 PolarHBondContact NH2-OG1 2.79Å; R546-T702 VanDerWaalsContact NH2-OG1 3.13Å | ||
| 547 | K | 78.8 | Confident | 84.6 | Confident | 75 Ų | 75 | 37.8 Ų | 37.8 | 33% | 0.326 | 17% | 0.169 | S | C | . | . | trans | -109.8 | 116.7 | 172.8 | -63.3 | -179.5 | -174.6 | 167.6 | 0 | 110.7 | E516 E545 L549 H550 | E516-K547 IonicContact OE1-NZ 2.67Å; E516-K547 PolarHBondContact OE1-NZ 3.16Å; E516-K547 IonicContact OE2-NZ 2.76Å; E516-K547 PolarHBondContact OE2-NZ 3.3Å; E545-K547 PolarHBondContact O-N 2.92Å; K547-L549 VanDerWaalsContact C-N 3.28Å; K547-L549 PolarHBondContact O-N 3.07Å; K547-H550 HydrophobicContact CB-CB 4.12Å; K547-H550 VanDerWaalsContact CD-CD2 3.43Å; K547-H550 WeakPolarHBondContact CD-CD2 3.11Å; K547-H550 VanDerWaalsContact CD-NE2 3.28Å; K547-H550 WeakPolarHBondContact CD-NE2 3.45Å | ||
| 548 | K | 66.9 | Low | 86 | Confident | 187 Ų | 187 | 37 Ų | 37 | 81% | 0.813 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.7 | -172.8 | -68.8 | -174.2 | 179.2 | -177.3 | 0 | 114.5 | ||
| 549 | L | 78.2 | Confident | 86.8 | Confident | 65 Ų | 65 | 34.8 Ų | 34.8 | 34% | 0.34 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 23.6 | -173.1 | -69 | 169.3 | 0 | 0 | 0 | 113.1 | K508 R509 K547 | K508-L549 WeakPolarHBondContact CB-O 3.26Å; K508-L549 PolarHBondContact N-O 2.96Å; K508-L549 VanDerWaalsContact N-O 3.08Å; R509-L549 HydrophobicContact CG-CD1 3.9Å; K547-L549 VanDerWaalsContact C-N 3.28Å; K547-L549 PolarHBondContact O-N 3.07Å |
| 550 | H | 88.3 | Confident | 86.9 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 16% | 0.162 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.3 | -178.9 | -66.2 | 23.6 | 0 | 0 | 0 | 108.9 | Y505 Y506 D507 K547 | Y505-H550 HydrophobicContact CD2-CB 4.16Å; Y505-H550 AromaticContact CD2-CD2 3.01Å; Y505-H550 WeakPolarHBondContact CD2-CD2 3.38Å; Y505-H550 AromaticContact CD2-CG 3.67Å; Y505-H550 AromaticContact CD2-NE2 3.57Å; Y505-H550 AromaticContact CE2-CD2 3.15Å; Y505-H550 WeakPolarHBondContact CE2-CD2 3.46Å; Y505-H550 AromaticContact CE2-NE2 3.14Å; Y505-H550 WeakPolarHBondContact CE2-NE2 3.17Å; Y505-H550 AromaticContact CG-CD2 3.59Å; Y505-H550 AromaticContact CZ-CD2 3.85Å; Y505-H550 AromaticContact CZ-NE2 3.74Å; Y506-H550 WeakPolarHBondContact O-CA 3.28Å; D507-H550 IonicContact OD2-CE1 3.22Å; K547-H550 HydrophobicContact CB-CB 4.12Å; K547-H550 VanDerWaalsContact CD-CD2 3.43Å; K547-H550 WeakPolarHBondContact CD-CD2 3.11Å; K547-H550 VanDerWaalsContact CD-NE2 3.28Å; K547-H550 WeakPolarHBondContact CD-NE2 3.45Å |
| 551 | I | 89.2 | Confident | 86.6 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.082 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.4 | 166.4 | -54.9 | 175.9 | 0 | 0 | 0 | 106.2 | I387 L390 Y505 Y506 K508 | I387-I551 HydrophobicContact CB-CD1 3.91Å; I387-I551 HydrophobicContact CG2-CD1 3.85Å; L390-I551 WeakPolarHBondContact CD1-O 3.43Å; Y505-I551 WeakPolarHBondContact CA-O 3.01Å; Y506-I551 HydrophobicContact CD1-CB 4.46Å; Y506-I551 HydrophobicContact CD1-CD1 3.88Å; Y506-I551 HydrophobicContact CD1-CG1 4.22Å; Y506-I551 HydrophobicContact CE1-CD1 4.41Å; Y506-I551 PolarHBondContact N-O 2.8Å; Y506-I551 PolarHBondContact O-N 3.16Å; K508-I551 HydrophobicContact CD-CG1 4.41Å; K508-I551 VanDerWaalsContact CE-CG1 3.41Å; K508-I551 HydrophobicContact CG-CD1 4.35Å; K508-I551 HydrophobicContact CG-CG1 4.2Å |
| 552 | Q | 93.4 | Very high | 86.1 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | trans | -131.9 | -6.7 | -177 | -166.3 | -178.5 | -1.7 | 0 | 0 | 112.5 | V503 E544 G554 S555 F571 Y590 | V503-Q552 HydrophobicContact CG2-CG 4.26Å; E544-Q552 VanDerWaalsContact OE1-CD 3.3Å; E544-Q552 PolarHBondContact OE1-NE2 2.82Å; E544-Q552 PolarHBondContact OE1-OE1 3.27Å; E544-Q552 PolarHBondContact OE2-NE2 3.49Å; Q552-G554 PolarHBondContact O-N 3.29Å; Q552-S555 WeakPolarHBondContact CA-OG 3.46Å; Q552-S555 WeakPolarHBondContact O-CB 3.41Å; Q552-S555 PolarHBondContact O-N 3.2Å; Q552-S555 PolarHBondContact O-OG 3.49Å; Q552-F571 HydrophobicContact CB-CD1 4.12Å; Q552-F571 HydrophobicContact CB-CE1 4.09Å; Q552-F571 HydrophobicContact CG-CB 4.37Å; Q552-F571 HydrophobicContact CG-CD1 3.88Å; Q552-F571 HydrophobicContact CG-CD2 4.09Å; Q552-F571 HydrophobicContact CG-CE1 4.12Å; Q552-F571 HydrophobicContact CG-CE2 4.3Å; Q552-F571 HydrophobicContact CG-CG 3.85Å; Q552-F571 HydrophobicContact CG-CZ 4.32Å; Q552-F571 WeakPolarHBondContact O-CD1 3.48Å; Q552-Y590 PolarHBondContact NE2-OH 3.38Å | ||
| 553 | L | 94.5 | Very high | 85.6 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 127.1 | -179.8 | -172.2 | 62.4 | 0 | 0 | 0 | 110.5 | C389 L390 A412 E414 S555 L572 | C389-L553 WeakPolarHBondContact CA-O 3.42Å; C389-L553 WeakPolarHBondContact CB-O 3.31Å; C389-L553 VanDerWaalsContact SG-CD2 3.57Å; L390-L553 PolarHBondContact N-O 2.77Å; A412-L553 HydrophobicContact CB-CD1 3.64Å; A412-L553 HydrophobicContact CB-CG 3.91Å; E414-L553 HydrophobicContact CB-CD1 4.34Å; E414-L553 HydrophobicContact CB-CD2 4.12Å; E414-L553 HydrophobicContact CG-CD2 4.15Å; L553-S555 VanDerWaalsContact C-N 3.29Å; L553-L572 WeakPolarHBondContact CD1-O 3.29Å |
| 554 | G | 95.7 | Very high | 86 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 1.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L390 Q552 F571 | L390-G554 CarbonylContact O-C 3.55Å; L390-G554 WeakPolarHBondContact O-CA 3.4Å; Q552-G554 PolarHBondContact O-N 3.29Å; G554-F571 PolarHBondContact N-O 3.08Å |
| 555 | S | 96.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -63.6 | 140.6 | 179.5 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | L390 S504 Q552 L553 V570 F571 | L390-S555 VanDerWaalsContact CD1-OG 3.26Å; L390-S555 WeakPolarHBondContact CD1-OG 3.41Å; S504-S555 WeakPolarHBondContact O-CB 3.29Å; S504-S555 PolarHBondContact O-OG 2.99Å; Q552-S555 WeakPolarHBondContact CA-OG 3.46Å; Q552-S555 WeakPolarHBondContact O-CB 3.41Å; Q552-S555 PolarHBondContact O-N 3.2Å; Q552-S555 PolarHBondContact O-OG 3.49Å; L553-S555 VanDerWaalsContact C-N 3.29Å; S555-V570 WeakPolarHBondContact O-CA 3.42Å; S555-F571 PolarHBondContact O-N 3.42Å | ||
| 556 | P | 97.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 139.1 | 175 | 33.3 | -36.5 | 0 | 0 | 0 | 111.4 | N376 V558 Q567 | N376-P556 WeakPolarHBondContact OD1-CG 3.15Å; P556-V558 HydrophobicContact CB-CG2 3.81Å; P556-V558 HydrophobicContact CG-CG2 4.15Å; P556-Q567 HydrophobicContact CB-CG 4.11Å |
| 557 | M | 96.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 106.2 | 162.6 | -175.3 | 177.4 | 74.2 | 0 | 0 | 108.6 | P495 Y502 V518 I520 L540 Q567 Y568 G569 Y590 | P495-M557 HydrophobicContact CG-CE 4.07Å; Y502-M557 WeakPolarHBondContact O-CA 3.25Å; V518-M557 HydrophobicContact CG2-CG 4.39Å; I520-M557 HydrophobicContact CD1-CE 3.89Å; I520-M557 HydrophobicContact CD1-CG 4.46Å; I520-M557 HydrophobicContact CD1-SD 3.34Å; I520-M557 WeakPolarHBondContact CD1-SD 3.12Å; L540-M557 HydrophobicContact CB-CE 4.21Å; L540-M557 HydrophobicContact CD1-CE 3.64Å; M557-Q567 WeakPolarHBondContact O-CA 3.22Å; M557-Y568 PolarHBondContact O-N 3.25Å; M557-G569 PolarHBondContact N-O 3.2Å; M557-Y590 HydrophobicContact CB-CD1 3.62Å; M557-Y590 HydrophobicContact CB-CE1 3.7Å; M557-Y590 HydrophobicContact CB-CG 4.37Å; M557-Y590 HydrophobicContact CG-CD1 4.4Å; M557-Y590 HydrophobicContact CG-CE1 4.29Å; M557-Y590 HydrophobicContact SD-CD1 4.17Å; M557-Y590 HydrophobicContact SD-CD2 4.1Å; M557-Y590 HydrophobicContact SD-CE1 4.29Å; M557-Y590 HydrophobicContact SD-CE2 4.27Å; M557-Y590 HydrophobicContact SD-CG 4.07Å |
| 558 | V | 95.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.3 | -173.3 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | W375 V486 C501 Y502 P556 L560 A565 Y566 | W375-V558 HydrophobicContact CZ2-CG1 3.82Å; W375-V558 HydrophobicContact CZ2-CG2 4.47Å; V486-V558 HydrophobicContact CG2-CG1 4.1Å; V486-V558 HydrophobicContact CG2-CG2 4.39Å; C501-V558 CarbonylContact C-O 3.58Å; C501-V558 WeakPolarHBondContact CA-O 3.1Å; Y502-V558 PolarHBondContact N-O 3.13Å; Y502-V558 PolarHBondContact O-N 2.88Å; P556-V558 HydrophobicContact CB-CG2 3.81Å; P556-V558 HydrophobicContact CG-CG2 4.15Å; V558-L560 HydrophobicContact CG1-CD2 4.49Å; V558-A565 HydrophobicContact CG1-CB 3.65Å; V558-Y566 CarbonylContact C-O 3.47Å; V558-Y566 WeakPolarHBondContact CA-O 3.42Å |
| 559 | C | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.5 | 177.8 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | A499 S500 C501 Y566 Y568 | A499-C559 HydrophobicContact CB-CB 4.11Å; S500-C559 WeakPolarHBondContact O-CA 3.49Å; C501-C559 HydrophobicContact CB-CB 4.12Å; C501-C559 WeakPolarHBondContact CB-SG 3.34Å; C501-C559 WeakPolarHBondContact SG-CB 3.11Å; C501-C559 CovalentContact SG-SG 2.04Å; C501-C559 PolarHBondContact SG-SG 2.84Å; C559-Y566 PolarHBondContact N-O 2.82Å; C559-Y566 PolarHBondContact O-N 2.94Å; C559-Y568 HydrophobicContact CB-CD2 3.81Å; C559-Y568 HydrophobicContact CB-CE2 3.87Å |
| 560 | L | 88.3 | Confident | 91.8 | Very high | 23 Ų | 23 | 23.1 Ų | 23.1 | 12% | 0.12 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122 | 178.5 | -50.3 | -174.9 | 0 | 0 | 0 | 109.4 | L360 S500 Y502 V558 A565 | L360-L560 HydrophobicContact CB-CD1 4.24Å; L360-L560 HydrophobicContact CB-CD2 4.23Å; L360-L560 HydrophobicContact CD1-CD2 4.07Å; S500-L560 PolarHBondContact O-N 3.5Å; Y502-L560 HydrophobicContact CD2-CD1 4.25Å; Y502-L560 HydrophobicContact CD2-CG 4.19Å; Y502-L560 HydrophobicContact CE2-CD1 3.78Å; Y502-L560 HydrophobicContact CE2-CG 4.08Å; V558-L560 HydrophobicContact CG1-CD2 4.49Å; L560-A565 HydrophobicContact CD2-CB 3.91Å |
| 561 | L | 83.4 | Confident | 92.1 | Very high | 25 Ų | 25 | 21.7 Ų | 21.7 | 13% | 0.131 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 119.5 | -178.7 | -63.6 | 173.7 | 0 | 0 | 0 | 109.2 | P496 F498 A499 G563 R564 Y566 Y568 | P496-L561 HydrophobicContact CG-CD1 4.27Å; P496-L561 HydrophobicContact CG-CD2 3.53Å; F498-L561 HydrophobicContact CE2-CD2 3.85Å; F498-L561 HydrophobicContact CZ-CD2 4.2Å; A499-L561 HydrophobicContact CB-CD2 3.6Å; L561-G563 PolarHBondContact O-N 3.32Å; L561-G563 VanDerWaalsContact O-N 3.11Å; L561-R564 PolarHBondContact N-O 2.04Å; L561-R564 PolarHBondContact O-N 2.96Å; L561-Y566 HydrophobicContact CB-CD2 4.08Å; L561-Y566 HydrophobicContact CB-CE2 4.1Å; L561-Y566 HydrophobicContact CD1-CD2 3.86Å; L561-Y566 HydrophobicContact CD1-CE2 4.28Å; L561-Y566 HydrophobicContact CD1-CG 4.48Å; L561-Y566 HydrophobicContact CG-CD2 4.28Å; L561-Y568 HydrophobicContact CD1-CE2 4.27Å |
| 562 | N | 76.3 | Confident | 92.3 | Very high | 168 Ų | 168 | 21.8 Ų | 21.8 | 90% | 0.898 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 43.2 | 176.2 | -58.3 | -10.5 | 0 | 0 | 0 | 113.3 | R564 | N562-R564 PolarHBondContact O-N 2.91Š|
| 563 | G | 78.8 | Confident | 92 | Very high | 58 Ų | 58 | 22 Ų | 22 | 60% | 0.598 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 10.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | L360 L561 | L360-G563 VanDerWaalsContact CD1-C 3.48Å; L360-G563 WeakPolarHBondContact CD1-O 3.49Å; L561-G563 PolarHBondContact O-N 3.32Å; L561-G563 VanDerWaalsContact O-N 3.11Å |
| 564 | R | 89.4 | Confident | 91.7 | Very high | 48 Ų | 48 | 20.9 Ų | 20.9 | 18% | 0.181 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.2 | 177.5 | -173.1 | 173.5 | -72.3 | -115.4 | 12.6 | 112.1 | C350 P399 L561 N562 Y566 | C350-R564 PolarHBondContact O-NH1 2.84Å; P399-R564 PolarHBondContact O-NH1 3.03Å; L561-R564 PolarHBondContact N-O 2.04Å; L561-R564 PolarHBondContact O-N 2.96Å; N562-R564 PolarHBondContact O-N 2.91Å; R564-Y566 HydrophobicContact CB-CE2 3.9Å; R564-Y566 VanDerWaalsContact CD-OH 3.3Å; R564-Y566 WeakPolarHBondContact CD-OH 3.19Å; R564-Y566 HydrophobicContact CG-CD2 4.43Å; R564-Y566 HydrophobicContact CG-CE2 3.77Å |
| 565 | A | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G351 L360 W375 V486 C487 V558 L560 | G351-A565 WeakPolarHBondContact O-CB 3.4Å; G351-A565 PolarHBondContact O-N 3.38Å; L360-A565 HydrophobicContact CD1-CB 4.1Å; L360-A565 HydrophobicContact CD2-CB 4.15Å; W375-A565 HydrophobicContact CH2-CB 3.26Å; W375-A565 HydrophobicContact CZ2-CB 3.8Å; W375-A565 HydrophobicContact CZ3-CB 3.87Å; V486-A565 HydrophobicContact CG2-CB 4.1Å; V486-A565 WeakPolarHBondContact CG2-O 3.37Å; C487-A565 WeakPolarHBondContact CB-O 3.36Å; C487-A565 PolarHBondContact N-O 2.96Å; V558-A565 HydrophobicContact CG1-CB 3.65Å; L560-A565 HydrophobicContact CD2-CB 3.91Å |
| 566 | Y | 95.3 | Very high | 90.2 | Very high | 41 Ų | 41 | 21.5 Ų | 21.5 | 16% | 0.161 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 133.2 | 177.5 | -66.3 | -91.5 | 0 | 0 | 0 | 111 | P399 C487 P489 V558 C559 L561 R564 | P399-Y566 HydrophobicContact CB-CE1 4.42Å; P399-Y566 HydrophobicContact CG-CE1 4.16Å; C487-Y566 HydrophobicContact CB-CD1 3.59Å; C487-Y566 HydrophobicContact CB-CE1 3.73Å; C487-Y566 HydrophobicContact CB-CG 4.34Å; C487-Y566 WeakPolarHBondContact O-CA 3.49Å; P489-Y566 HydrophobicContact CB-CD1 4.13Å; P489-Y566 HydrophobicContact CB-CG 4.47Å; V558-Y566 CarbonylContact C-O 3.47Å; V558-Y566 WeakPolarHBondContact CA-O 3.42Å; C559-Y566 PolarHBondContact N-O 2.82Å; C559-Y566 PolarHBondContact O-N 2.94Å; L561-Y566 HydrophobicContact CB-CD2 4.08Å; L561-Y566 HydrophobicContact CB-CE2 4.1Å; L561-Y566 HydrophobicContact CD1-CD2 3.86Å; L561-Y566 HydrophobicContact CD1-CE2 4.28Å; L561-Y566 HydrophobicContact CD1-CG 4.48Å; L561-Y566 HydrophobicContact CG-CD2 4.28Å; R564-Y566 HydrophobicContact CB-CE2 3.9Å; R564-Y566 VanDerWaalsContact CD-OH 3.3Å; R564-Y566 WeakPolarHBondContact CD-OH 3.19Å; R564-Y566 HydrophobicContact CG-CD2 4.43Å; R564-Y566 HydrophobicContact CG-CE2 3.77Å |
| 567 | Q | 96.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 117.1 | 176.2 | -178.2 | 174.1 | -5 | 0 | 0 | 110.8 | S392 V394 V486 C487 P489 P556 M557 G569 I593 | S392-Q567 PolarHBondContact OG-NE2 3.15Å; S392-Q567 PolarHBondContact OG-OE1 3.32Å; V394-Q567 VanDerWaalsContact CG1-OE1 3.23Å; V486-Q567 HydrophobicContact CG1-CB 3.78Å; V486-Q567 VanDerWaalsContact CG1-OE1 3.23Å; V486-Q567 HydrophobicContact CG2-CB 4.15Å; C487-Q567 PolarHBondContact O-N 2.77Å; P489-Q567 WeakPolarHBondContact CD-O 3.35Å; P556-Q567 HydrophobicContact CB-CG 4.11Å; M557-Q567 WeakPolarHBondContact O-CA 3.22Å; Q567-G569 PolarHBondContact NE2-O 3.19Å; Q567-I593 HydrophobicContact CG-CD1 4.33Å; Q567-I593 WeakPolarHBondContact O-CG1 3.46Å |
| 568 | Y | 95.1 | Very high | 87.6 | Confident | 11 Ų | 11 | 25.8 Ų | 25.8 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -20.6 | -178.8 | -81.6 | -91.3 | 0 | 0 | 0 | 113.6 | P489 R493 V494 P495 M557 C559 L561 I593 | P489-Y568 HydrophobicContact CB-CD1 4.18Å; P489-Y568 HydrophobicContact CB-CE1 3.58Å; P489-Y568 HydrophobicContact CB-CE2 3.95Å; P489-Y568 VanDerWaalsContact CB-CZ 3.46Å; P489-Y568 HydrophobicContact CG-CD1 3.64Å; P489-Y568 HydrophobicContact CG-CD2 4.17Å; P489-Y568 HydrophobicContact CG-CE1 3.58Å; P489-Y568 HydrophobicContact CG-CE2 4.12Å; P489-Y568 HydrophobicContact CG-CG 3.96Å; R493-Y568 WeakPolarHBondContact O-CD1 3.37Å; R493-Y568 VanDerWaalsContact O-CE1 3.29Å; R493-Y568 WeakPolarHBondContact O-CE1 3.48Å; V494-Y568 WeakPolarHBondContact O-CE1 3.42Å; P495-Y568 HydrophobicContact CB-CD1 4.4Å; P495-Y568 HydrophobicContact CB-CD2 4.41Å; P495-Y568 HydrophobicContact CB-CE1 4.48Å; P495-Y568 HydrophobicContact CB-CE2 4.5Å; P495-Y568 HydrophobicContact CB-CG 4.33Å; P495-Y568 VanDerWaalsContact CD-CD1 3.42Å; P495-Y568 HydrophobicContact CG-CD1 3.68Å; P495-Y568 HydrophobicContact CG-CD2 4.02Å; P495-Y568 HydrophobicContact CG-CE1 4.23Å; P495-Y568 HydrophobicContact CG-CG 3.54Å; P495-Y568 VanDerWaalsContact N-CE1 3.32Å; M557-Y568 PolarHBondContact O-N 3.25Å; C559-Y568 HydrophobicContact CB-CD2 3.81Å; C559-Y568 HydrophobicContact CB-CE2 3.87Å; L561-Y568 HydrophobicContact CD1-CE2 4.27Å; Y568-I593 PolarHBondContact O-N 3.03Å; Y568-I593 VanDerWaalsContact O-N 3.13Å |
| 569 | G | 94.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 175.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | M557 Q567 G591 | M557-G569 PolarHBondContact N-O 3.2Å; Q567-G569 PolarHBondContact NE2-O 3.19Å; G569-G591 CarbonylContact C-O 3.59Å; G569-G591 WeakPolarHBondContact CA-O 3.44Å |
| 570 | V | 95.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.1 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | L410 I468 S555 L572 Y590 G591 | L410-V570 HydrophobicContact CB-CG2 4.17Å; I468-V570 HydrophobicContact CD1-CB 4.37Å; I468-V570 HydrophobicContact CD1-CG2 4.24Å; I468-V570 HydrophobicContact CG1-CB 4.19Å; I468-V570 HydrophobicContact CG1-CG2 4.36Å; S555-V570 WeakPolarHBondContact O-CA 3.42Å; V570-L572 HydrophobicContact CG1-CD2 4.34Å; V570-L572 WeakPolarHBondContact O-CG 3.46Å; V570-L572 PolarHBondContact O-N 3.39Å; V570-Y590 CarbonylContact O-C 3.11Å; V570-Y590 WeakPolarHBondContact O-CA 3.13Å; V570-G591 PolarHBondContact N-O 3.26Å; V570-G591 VanDerWaalsContact N-O 3.08Å; V570-G591 PolarHBondContact O-N 2.91Å |
| 571 | F | 95.4 | Very high | 82.9 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 126.5 | -179.2 | -176.3 | -88.4 | 0 | 0 | 0 | 111.2 | Q552 G554 S555 Q574 Y590 | Q552-F571 HydrophobicContact CB-CD1 4.12Å; Q552-F571 HydrophobicContact CB-CE1 4.09Å; Q552-F571 HydrophobicContact CG-CB 4.37Å; Q552-F571 HydrophobicContact CG-CD1 3.88Å; Q552-F571 HydrophobicContact CG-CD2 4.09Å; Q552-F571 HydrophobicContact CG-CE1 4.12Å; Q552-F571 HydrophobicContact CG-CE2 4.3Å; Q552-F571 HydrophobicContact CG-CG 3.85Å; Q552-F571 HydrophobicContact CG-CZ 4.32Å; Q552-F571 WeakPolarHBondContact O-CD1 3.48Å; G554-F571 PolarHBondContact N-O 3.08Å; S555-F571 PolarHBondContact O-N 3.42Å; F571-Q574 HydrophobicContact CZ-CB 4.44Å; F571-Y590 HydrophobicContact CB-CD1 3.89Å; F571-Y590 HydrophobicContact CB-CE1 3.68Å; F571-Y590 HydrophobicContact CD2-CD1 4.37Å; F571-Y590 AromaticContact CD2-CE1 3.77Å; F571-Y590 HydrophobicContact CD2-CE1 3.77Å; F571-Y590 HydrophobicContact CD2-CE2 4.15Å; F571-Y590 AromaticContact CD2-CZ 3.63Å; F571-Y590 HydrophobicContact CG-CE1 4.23Å |
| 572 | L | 91.6 | Very high | 81.6 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -47.7 | -177.3 | -56.8 | -178.3 | 0 | 0 | 0 | 112.2 | A412 L457 G467 L553 V570 F589 | A412-L572 HydrophobicContact CB-CD2 3.73Å; L457-L572 HydrophobicContact CD1-CD1 3.18Å; G467-L572 WeakPolarHBondContact O-CD2 3.18Å; L553-L572 WeakPolarHBondContact CD1-O 3.29Å; V570-L572 HydrophobicContact CG1-CD2 4.34Å; V570-L572 WeakPolarHBondContact O-CG 3.46Å; V570-L572 PolarHBondContact O-N 3.39Å; L572-F589 HydrophobicContact CB-CD1 4.36Å; L572-F589 HydrophobicContact CD1-CD1 4.35Å; L572-F589 HydrophobicContact CD1-CE1 4.03Å; L572-F589 PolarHBondContact N-O 3.02Å |
| 573 | N | 88.4 | Confident | 80.8 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 16% | 0.16 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 173.6 | -179.8 | 62.6 | 18.5 | 0 | 0 | 0 | 111.7 | F589 I705 | N573-F589 PolarHBondContact O-N 2.72Å; N573-F589 WeakPolarHBondContact OD1-CB 3.39Å; N573-F589 WeakPolarHBondContact OD1-CD1 3.21Å; N573-I705 VanDerWaalsContact ND2-CD1 3.29Å; N573-I705 WeakPolarHBondContact ND2-CD1 3.05Å |
| 574 | Q | 88.4 | Confident | 80.3 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.8 | 173.4 | -164.9 | 172.1 | 32.2 | 0 | 0 | 109.9 | E544 R546 F571 N586 L587 | E544-Q574 PolarHBondContact O-NE2 2.56Å; R546-Q574 VanDerWaalsContact CB-OE1 3.24Å; F571-Q574 HydrophobicContact CZ-CB 4.44Å; Q574-N586 HydrophobicContact CG-CB 4.21Å; Q574-L587 CarbonylContact C-O 3.49Å; Q574-L587 WeakPolarHBondContact CA-O 3.48Å; Q574-L587 WeakPolarHBondContact CG-O 3.08Å |
| 575 | L | 83.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 147.3 | 173.9 | -53.1 | 176.9 | 0 | 0 | 0 | 109.3 | W459 L527 N586 L587 F589 I705 L707 | W459-L575 HydrophobicContact CH2-CD2 4.19Å; W459-L575 HydrophobicContact CZ2-CD2 4.48Å; L527-L575 HydrophobicContact CD2-CD1 4.34Å; L575-N586 CarbonylContact O-C 3.37Å; L575-N586 VanDerWaalsContact O-CA 3.32Å; L575-N586 WeakPolarHBondContact O-CA 3.48Å; L575-L587 HydrophobicContact CB-CB 4.39Å; L575-L587 PolarHBondContact N-O 2.97Å; L575-L587 PolarHBondContact O-N 2.96Å; L575-F589 HydrophobicContact CD1-CB 3.7Å; L575-F589 HydrophobicContact CD1-CD2 3.88Å; L575-F589 HydrophobicContact CD1-CG 4.02Å; L575-F589 HydrophobicContact CD2-CB 4.38Å; L575-F589 HydrophobicContact CG-CB 3.75Å; L575-F589 HydrophobicContact CG-CG 4.42Å; L575-I705 HydrophobicContact CD2-CB 3.81Å; L575-I705 HydrophobicContact CD2-CD1 3.62Å; L575-I705 HydrophobicContact CD2-CG1 4.26Å; L575-I705 HydrophobicContact CD2-CG2 4.43Å; L575-L707 HydrophobicContact CB-CD1 4.4Å; L575-L707 HydrophobicContact CD1-CD1 3.9Å |
| 576 | S | 77.1 | Confident | 78.9 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 109.5 | 169.6 | -63.1 | 0 | 0 | 0 | 0 | 109.2 | Q585 N586 I705 R706 L707 | S576-Q585 CarbonylContact C-O 3.54Å; S576-Q585 WeakPolarHBondContact CA-O 3.38Å; S576-N586 PolarHBondContact OG-OD1 2.89Å; S576-I705 PolarHBondContact N-O 3.48Å; S576-R706 WeakPolarHBondContact O-CA 3.31Å; S576-L707 PolarHBondContact O-N 2.86Å |
| 577 | L | 69.2 | Low | 78.4 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120 | 171.6 | -61.8 | -170.6 | 0 | 0 | 0 | 109.1 | I579 K584 Q585 L587 L707 V709 S1028 | L577-I579 PolarHBondContact O-N 2.89Å; L577-K584 VanDerWaalsContact O-CA 3.31Å; L577-K584 WeakPolarHBondContact O-CA 3.33Å; L577-Q585 PolarHBondContact N-O 2.97Å; L577-Q585 PolarHBondContact O-N 2.63Å; L577-L587 HydrophobicContact CD1-CD1 3.38Å; L577-L587 HydrophobicContact CD1-CG 4.19Å; L577-L587 HydrophobicContact CD2-CD1 4.36Å; L577-L587 HydrophobicContact CG-CD1 3.7Å; L577-L587 HydrophobicContact CG-CG 4.24Å; L577-L707 HydrophobicContact CD2-CB 3.57Å; L577-L707 HydrophobicContact CD2-CD1 3.66Å; L577-L707 HydrophobicContact CD2-CG 4.24Å; L577-V709 HydrophobicContact CD2-CG2 4.34Å; L577-S1028 WeakPolarHBondContact CD1-OG 3.39Å |
| 578 | K | 68.2 | Low | 78.2 | Confident | 79 Ų | 79 | 40.5 Ų | 40.5 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 111.2 | 170 | -77.6 | -176.4 | 171.4 | -174.6 | 0 | 108.7 | K584 L707 | K578-K584 HydrophobicContact CG-CG 4.24Å; K578-L707 PolarHBondContact N-O 2.98Å |
| 579 | I | 59.9 | Low | 78 | Confident | 40 Ų | 40 | 40.4 Ų | 40.4 | 21% | 0.205 | 20% | 0.198 | C | C | . | . | trans | -84 | -44.6 | 176.2 | -60.7 | 165.4 | 0 | 0 | 0 | 109.3 | L577 V583 Q585 Y1026 T1029 | L577-I579 PolarHBondContact O-N 2.89Å; I579-V583 HydrophobicContact CD1-CG1 4.07Å; I579-V583 PolarHBondContact N-O 3.41Å; I579-V583 VanDerWaalsContact N-O 3.1Å; I579-Q585 HydrophobicContact CD1-CB 3.93Å; I579-Y1026 HydrophobicContact CG2-CD2 3.34Å; I579-Y1026 HydrophobicContact CG2-CE2 3.46Å; I579-Y1026 VanDerWaalsContact CG2-CE2 3.46Å; I579-Y1026 HydrophobicContact CG2-CG 4.15Å; I579-T1029 HydrophobicContact CD1-CG2 3.37Å; I579-T1029 HydrophobicContact CG1-CG2 3.79Å | ||
| 580 | N | 57.7 | Low | 77.9 | Confident | 66 Ų | 66 | 40.4 Ų | 40.4 | 35% | 0.353 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -152.9 | -173.1 | 172.5 | 63 | 34.4 | 0 | 0 | 0 | 110 | K582 V583 | N580-K582 PolarHBondContact O-N 3.23Å; N580-K582 PolarHBondContact OD1-N 2.93Å; N580-V583 PolarHBondContact N-O 3.02Å; N580-V583 WeakPolarHBondContact OD1-CB 3.28Å; N580-V583 PolarHBondContact OD1-N 2.71Å |
| 581 | D | 63 | Low | 77.7 | Confident | 169 Ų | 169 | 40.4 Ų | 40.4 | 90% | 0.904 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -62 | -26.8 | -176.9 | -59.7 | -43.7 | 0 | 0 | 0 | 113.8 | ||
| 582 | K | 55.2 | Low | 77.4 | Confident | 190 Ų | 190 | 40.2 Ų | 40.2 | 83% | 0.826 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -103.3 | -27.2 | -174.9 | -64.4 | -174.5 | 179.3 | -178.1 | 0 | 113.6 | N580 | N580-K582 PolarHBondContact O-N 3.23Å; N580-K582 PolarHBondContact OD1-N 2.93Å |
| 583 | V | 58.6 | Low | 77.3 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 22% | 0.218 | 19% | 0.193 | C | C | . | . | trans | -118.7 | 125.3 | -169.6 | -175.4 | 0 | 0 | 0 | 0 | 111 | I579 N580 A1097 | I579-V583 HydrophobicContact CD1-CG1 4.07Å; I579-V583 PolarHBondContact N-O 3.41Å; I579-V583 VanDerWaalsContact N-O 3.1Å; N580-V583 PolarHBondContact N-O 3.02Å; N580-V583 WeakPolarHBondContact OD1-CB 3.28Å; N580-V583 PolarHBondContact OD1-N 2.71Å; V583-A1097 HydrophobicContact CG2-CB 3.39Å | ||
| 584 | K | 68.3 | Low | 77.1 | Confident | 104 Ų | 104 | 38 Ų | 38 | 45% | 0.452 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.4 | 173.7 | -62.4 | 174.6 | -172.2 | 161.7 | 0 | 108.2 | L577 K578 | L577-K584 VanDerWaalsContact O-CA 3.31Å; L577-K584 WeakPolarHBondContact O-CA 3.33Å; K578-K584 HydrophobicContact CG-CG 4.24Å |
| 585 | Q | 73.5 | Confident | 76.7 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.6 | 169.5 | -176.3 | 180 | 16.1 | 0 | 0 | 109.4 | S576 L577 I579 L587 S1028 T1029 | S576-Q585 CarbonylContact C-O 3.54Å; S576-Q585 WeakPolarHBondContact CA-O 3.38Å; L577-Q585 PolarHBondContact N-O 2.97Å; L577-Q585 PolarHBondContact O-N 2.63Å; I579-Q585 HydrophobicContact CD1-CB 3.93Å; Q585-L587 HydrophobicContact CG-CD2 4.3Å; Q585-S1028 VanDerWaalsContact CD-O 3.23Å; Q585-S1028 PolarHBondContact NE2-O 3.38Å; Q585-S1028 PolarHBondContact OE1-O 2.8Å; Q585-T1029 VanDerWaalsContact OE1-CG2 3.28Å |
| 586 | N | 83.2 | Confident | 76.6 | Confident | 45 Ų | 45 | 37.9 Ų | 37.9 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 138.1 | 174.7 | -59.7 | -44.8 | 0 | 0 | 0 | 109.9 | E544 Q574 L575 S576 | E544-N586 PolarHBondContact N-O 2.92Å; E544-N586 CarbonylContact O-C 3.46Å; E544-N586 WeakPolarHBondContact O-CB 3.31Å; E544-N586 VanDerWaalsContact O-O 3.06Å; Q574-N586 HydrophobicContact CG-CB 4.21Å; L575-N586 CarbonylContact O-C 3.37Å; L575-N586 VanDerWaalsContact O-CA 3.32Å; L575-N586 WeakPolarHBondContact O-CA 3.48Å; S576-N586 PolarHBondContact OG-OD1 2.89Å |
| 587 | L | 84.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.9 | 175.4 | -58.7 | -179.2 | 0 | 0 | 0 | 108.7 | T521 C541 A542 I543 Q574 L575 L577 Q585 | T521-L587 HydrophobicContact CG2-CD2 4.31Å; C541-L587 HydrophobicContact CB-CD1 4.46Å; A542-L587 CarbonylContact O-C 3.51Å; A542-L587 VanDerWaalsContact O-CA 3.24Å; A542-L587 WeakPolarHBondContact O-CA 3.34Å; I543-L587 HydrophobicContact CB-CD2 4.28Å; I543-L587 HydrophobicContact CG1-CD2 3.81Å; Q574-L587 CarbonylContact C-O 3.49Å; Q574-L587 WeakPolarHBondContact CA-O 3.48Å; Q574-L587 WeakPolarHBondContact CG-O 3.08Å; L575-L587 HydrophobicContact CB-CB 4.39Å; L575-L587 PolarHBondContact N-O 2.97Å; L575-L587 PolarHBondContact O-N 2.96Å; L577-L587 HydrophobicContact CD1-CD1 3.38Å; L577-L587 HydrophobicContact CD1-CG 4.19Å; L577-L587 HydrophobicContact CD2-CD1 4.36Å; L577-L587 HydrophobicContact CG-CD1 3.7Å; L577-L587 HydrophobicContact CG-CG 4.24Å; Q585-L587 HydrophobicContact CG-CD2 4.3Å |
| 588 | G | 90 | Very high | 77.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | C541 A542 Y590 | C541-G588 WeakPolarHBondContact CA-O 2.97Å; A542-G588 PolarHBondContact N-O 3.37Å; A542-G588 PolarHBondContact O-N 2.02Å; G588-Y590 VanDerWaalsContact C-CE2 3.5Å; G588-Y590 WeakPolarHBondContact O-CD2 3.36Å; G588-Y590 WeakPolarHBondContact O-CE2 3.44Å |
| 589 | F | 91.2 | Very high | 77.7 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.6 | 175.6 | 176.6 | -96 | 0 | 0 | 0 | 110.6 | W459 L527 L572 N573 L575 | W459-F589 HydrophobicContact CE3-CZ 4.48Å; W459-F589 HydrophobicContact CH2-CD1 4.43Å; W459-F589 HydrophobicContact CH2-CE1 4.22Å; W459-F589 HydrophobicContact CH2-CE2 4.37Å; W459-F589 HydrophobicContact CH2-CZ 4.19Å; W459-F589 HydrophobicContact CZ3-CD1 4.14Å; W459-F589 AromaticContact CZ3-CE1 3.53Å; W459-F589 HydrophobicContact CZ3-CE1 3.53Å; W459-F589 HydrophobicContact CZ3-CE2 4.09Å; W459-F589 AromaticContact CZ3-CZ 3.5Å; W459-F589 HydrophobicContact CZ3-CZ 3.5Å; L527-F589 HydrophobicContact CD1-CD2 3.97Å; L527-F589 HydrophobicContact CD1-CE2 3.45Å; L527-F589 VanDerWaalsContact CD1-CE2 3.45Å; L527-F589 HydrophobicContact CD1-CZ 4.1Å; L527-F589 HydrophobicContact CG-CE2 4.23Å; L572-F589 HydrophobicContact CB-CD1 4.36Å; L572-F589 HydrophobicContact CD1-CD1 4.35Å; L572-F589 HydrophobicContact CD1-CE1 4.03Å; L572-F589 PolarHBondContact N-O 3.02Å; N573-F589 PolarHBondContact O-N 2.72Å; N573-F589 WeakPolarHBondContact OD1-CB 3.39Å; N573-F589 WeakPolarHBondContact OD1-CD1 3.21Å; L575-F589 HydrophobicContact CD1-CB 3.7Å; L575-F589 HydrophobicContact CD1-CD2 3.88Å; L575-F589 HydrophobicContact CD1-CG 4.02Å; L575-F589 HydrophobicContact CD2-CB 4.38Å; L575-F589 HydrophobicContact CG-CB 3.75Å; L575-F589 HydrophobicContact CG-CG 4.42Å |
| 590 | Y | 93 | Very high | 78.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.8 | -169.5 | -61.5 | -99 | 0 | 0 | 0 | 109.4 | V503 G539 L540 A542 E544 Q552 M557 V570 F571 G588 E592 | V503-Y590 HydrophobicContact CG2-CE1 3.87Å; V503-Y590 WeakPolarHBondContact CG2-OH 2.96Å; G539-Y590 CarbonylContact C-O 3.53Å; G539-Y590 WeakPolarHBondContact CA-O 3.37Å; L540-Y590 PolarHBondContact N-O 3.43Å; L540-Y590 PolarHBondContact O-N 3.39Å; A542-Y590 HydrophobicContact CB-CD2 4.45Å; A542-Y590 HydrophobicContact CB-CE2 3.79Å; E544-Y590 PolarHBondContact OE2-OH 2.79Å; Q552-Y590 PolarHBondContact NE2-OH 3.38Å; M557-Y590 HydrophobicContact CB-CD1 3.62Å; M557-Y590 HydrophobicContact CB-CE1 3.7Å; M557-Y590 HydrophobicContact CB-CG 4.37Å; M557-Y590 HydrophobicContact CG-CD1 4.4Å; M557-Y590 HydrophobicContact CG-CE1 4.29Å; M557-Y590 HydrophobicContact SD-CD1 4.17Å; M557-Y590 HydrophobicContact SD-CD2 4.1Å; M557-Y590 HydrophobicContact SD-CE1 4.29Å; M557-Y590 HydrophobicContact SD-CE2 4.27Å; M557-Y590 HydrophobicContact SD-CG 4.07Å; V570-Y590 CarbonylContact O-C 3.11Å; V570-Y590 WeakPolarHBondContact O-CA 3.13Å; F571-Y590 HydrophobicContact CB-CD1 3.89Å; F571-Y590 HydrophobicContact CB-CE1 3.68Å; F571-Y590 HydrophobicContact CD2-CD1 4.37Å; F571-Y590 AromaticContact CD2-CE1 3.77Å; F571-Y590 HydrophobicContact CD2-CE1 3.77Å; F571-Y590 HydrophobicContact CD2-CE2 4.15Å; F571-Y590 AromaticContact CD2-CZ 3.63Å; F571-Y590 HydrophobicContact CG-CE1 4.23Å; G588-Y590 VanDerWaalsContact C-CE2 3.5Å; G588-Y590 WeakPolarHBondContact O-CD2 3.36Å; G588-Y590 WeakPolarHBondContact O-CE2 3.44Å; Y590-E592 PolarHBondContact O-N 2.7Å |
| 591 | G | 90.5 | Very high | 79.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G569 V570 | G569-G591 CarbonylContact C-O 3.59Å; G569-G591 WeakPolarHBondContact CA-O 3.44Å; V570-G591 PolarHBondContact N-O 3.26Å; V570-G591 VanDerWaalsContact N-O 3.08Å; V570-G591 PolarHBondContact O-N 2.91Å |
| 592 | E | 90.2 | Very high | 80.1 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 140.2 | -179.7 | -173.7 | 169.7 | -167.6 | 0 | 0 | 110.8 | R525 R538 L540 Y590 D594 V595 | R525-E592 IonicContact CZ-OE1 2.82Å; R525-E592 IonicContact CZ-OE2 2.74Å; R525-E592 IonicContact NE-OE1 3.06Å; R525-E592 PolarHBondContact NE-OE1 3.13Å; R525-E592 IonicContact NE-OE2 2.65Å; R525-E592 PolarHBondContact NE-OE2 3.15Å; R525-E592 IonicContact NH2-OE1 2.77Å; R525-E592 PolarHBondContact NH2-OE1 2.87Å; R525-E592 IonicContact NH2-OE2 3.25Å; R538-E592 PolarHBondContact O-N 3.13Å; L540-E592 HydrophobicContact CG-CB 4.46Å; Y590-E592 PolarHBondContact O-N 2.7Å; E592-D594 HydrophobicContact CG-CB 4.31Å; E592-D594 PolarHBondContact O-N 2.97Å; E592-V595 PolarHBondContact O-N 3.4Å |
| 593 | I | 89.7 | Confident | 81 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.1 | -22.1 | -174.6 | -162.7 | 62.6 | 0 | 0 | 0 | 113.9 | L410 L488 P489 Q567 Y568 V595 A596 R597 | L410-I593 HydrophobicContact CD1-CD1 3.28Å; L488-I593 HydrophobicContact CD2-CD1 3.79Å; L488-I593 HydrophobicContact CD2-CG1 3.76Å; P489-I593 HydrophobicContact CG-CG2 3.91Å; Q567-I593 HydrophobicContact CG-CD1 4.33Å; Q567-I593 WeakPolarHBondContact O-CG1 3.46Å; Y568-I593 PolarHBondContact O-N 3.03Å; Y568-I593 VanDerWaalsContact O-N 3.13Å; I593-V595 PolarHBondContact O-N 2.94Å; I593-A596 HydrophobicContact CD1-CB 4.06Å; I593-A596 WeakPolarHBondContact O-CB 3.37Å; I593-A596 PolarHBondContact O-N 3.05Å; I593-R597 PolarHBondContact O-N 2.96Å; I593-R597 VanDerWaalsContact O-N 3.08Å |
| 594 | D | 84.3 | Confident | 81.2 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -31.3 | 176.7 | -74.5 | -23.7 | 0 | 0 | 0 | 112.3 | T491 H492 E592 A596 R597 D598 | T491-D594 WeakPolarHBondContact CA-OD1 3.48Å; H492-D594 WeakPolarHBondContact CA-OD2 3.24Å; H492-D594 IonicContact CD2-OD2 3.73Å; H492-D594 IonicContact CG-OD2 3.7Å; H492-D594 VanDerWaalsContact N-CG 3.34Å; H492-D594 PolarHBondContact N-OD1 3.02Å; H492-D594 VanDerWaalsContact N-OD1 3.11Å; H492-D594 PolarHBondContact N-OD2 3.38Å; E592-D594 HydrophobicContact CG-CB 4.31Å; E592-D594 PolarHBondContact O-N 2.97Å; D594-A596 PolarHBondContact O-N 3.17Å; D594-R597 PolarHBondContact O-N 2.77Å; D594-D598 PolarHBondContact O-N 2.67Å |
| 595 | V | 79 | Confident | 81 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | L457 I468 R538 E592 I593 R597 V599 | L457-V595 HydrophobicContact CD2-CG2 3.9Å; I468-V595 HydrophobicContact CD1-CB 4.35Å; R538-V595 HydrophobicContact CB-CG2 3.8Å; E592-V595 PolarHBondContact O-N 3.4Å; I593-V595 PolarHBondContact O-N 2.94Å; V595-R597 VanDerWaalsContact C-N 3.29Å; V595-R597 PolarHBondContact O-N 2.9Å; V595-V599 VanDerWaalsContact O-CG2 3.31Å; V595-V599 WeakPolarHBondContact O-CG2 3.16Å; V595-V599 PolarHBondContact O-N 3.11Å |
| 596 | A | 82.6 | Confident | 80.5 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -32.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L410 I593 D594 V599 L600 | L410-A596 HydrophobicContact CD1-CB 3.81Å; L410-A596 HydrophobicContact CD2-CB 3.85Å; I593-A596 HydrophobicContact CD1-CB 4.06Å; I593-A596 WeakPolarHBondContact O-CB 3.37Å; I593-A596 PolarHBondContact O-N 3.05Å; D594-A596 PolarHBondContact O-N 3.17Å; A596-V599 WeakPolarHBondContact O-CB 3.31Å; A596-L600 WeakPolarHBondContact O-CB 3.36Å; A596-L600 WeakPolarHBondContact O-CG 3.05Å; A596-L600 PolarHBondContact O-N 3.19Å |
| 597 | R | 82.2 | Confident | 79.3 | Confident | 41 Ų | 41 | 41.5 Ų | 41.5 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.2 | -45.2 | 176.9 | -88.9 | -170.9 | 170.8 | 152.9 | 2.9 | 114.5 | L488 P489 I593 D594 V595 V599 L600 A601 | L488-R597 HydrophobicContact CD1-CG 4.04Å; L488-R597 PolarHBondContact O-NH2 3Å; P489-R597 PolarHBondContact O-NH1 2.74Å; P489-R597 PolarHBondContact O-NH2 3.09Å; I593-R597 PolarHBondContact O-N 2.96Å; I593-R597 VanDerWaalsContact O-N 3.08Å; D594-R597 PolarHBondContact O-N 2.77Å; V595-R597 VanDerWaalsContact C-N 3.29Å; V595-R597 PolarHBondContact O-N 2.9Å; R597-V599 PolarHBondContact O-N 3.26Å; R597-L600 CarbonylContact O-C 3.27Å; R597-L600 PolarHBondContact O-N 3.16Å; R597-L600 VanDerWaalsContact O-N 3.07Å; R597-A601 VanDerWaalsContact O-CB 3.31Å; R597-A601 WeakPolarHBondContact O-CB 3.48Å; R597-A601 PolarHBondContact O-N 3.2Å |
| 598 | D | 79.4 | Confident | 78 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -39.5 | 178 | -72.7 | -32.8 | 0 | 0 | 0 | 109.5 | R538 D594 A601 G602 K603 V605 | R538-D598 IonicContact CZ-OD2 3.63Å; R538-D598 IonicContact NH1-OD2 3.48Å; R538-D598 PolarHBondContact NH1-OD2 3.36Å; R538-D598 IonicContact NH2-OD2 3.92Å; R538-D598 PolarHBondContact NH2-OD2 2.87Å; R538-D598 VanDerWaalsContact NH2-OD2 3.16Å; D594-D598 PolarHBondContact O-N 2.67Å; D598-A601 PolarHBondContact O-N 3.47Å; D598-G602 PolarHBondContact O-N 3.21Å; D598-K603 HydrophobicContact CB-CB 4.25Å; D598-K603 HydrophobicContact CB-CD 4.08Å; D598-K603 VanDerWaalsContact O-CB 3.31Å; D598-K603 WeakPolarHBondContact O-CB 3.49Å; D598-K603 PolarHBondContact O-N 2.84Å; D598-K603 WeakPolarHBondContact OD1-CD 3.39Å; D598-K603 WeakPolarHBondContact OD1-CE 3.08Å; D598-K603 IonicContact OD1-NZ 3.84Å; D598-K603 PolarHBondContact OD1-NZ 3.28Å; D598-V605 HydrophobicContact CB-CG2 3.86Å |
| 599 | V | 75.8 | Confident | 76.2 | Confident | 16 Ų | 16 | 45.8 Ų | 45.8 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.7 | -53.6 | 169.9 | 164 | 0 | 0 | 0 | 0 | 112.7 | Y455 V470 V595 A596 R597 A601 G602 V605 | Y455-V599 HydrophobicContact CD1-CG2 3.57Å; Y455-V599 HydrophobicContact CD2-CG1 4.33Å; Y455-V599 HydrophobicContact CD2-CG2 3.85Å; Y455-V599 HydrophobicContact CE1-CB 4.35Å; Y455-V599 HydrophobicContact CE1-CG1 4.07Å; Y455-V599 HydrophobicContact CE1-CG2 3.4Å; Y455-V599 HydrophobicContact CE2-CB 4.18Å; Y455-V599 HydrophobicContact CE2-CG1 3.45Å; Y455-V599 VanDerWaalsContact CE2-CG1 3.45Å; Y455-V599 HydrophobicContact CE2-CG2 3.7Å; Y455-V599 HydrophobicContact CG-CG2 3.79Å; Y455-V599 VanDerWaalsContact CZ-CG2 3.46Å; Y455-V599 WeakPolarHBondContact OH-CG1 3.47Å; V470-V599 HydrophobicContact CG2-CG1 3.97Å; V595-V599 VanDerWaalsContact O-CG2 3.31Å; V595-V599 WeakPolarHBondContact O-CG2 3.16Å; V595-V599 PolarHBondContact O-N 3.11Å; A596-V599 WeakPolarHBondContact O-CB 3.31Å; R597-V599 PolarHBondContact O-N 3.26Å; V599-A601 PolarHBondContact O-N 3.45Å; V599-G602 PolarHBondContact O-N 3.22Å; V599-V605 HydrophobicContact CG2-CB 4Å; V599-V605 HydrophobicContact CG2-CG1 4.34Å; V599-V605 HydrophobicContact CG2-CG2 3.81Å |
| 600 | L | 82.8 | Confident | 74.2 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.9 | -22 | -177 | -74.3 | 171 | 0 | 0 | 0 | 113.2 | N396 I408 V470 L488 A596 R597 G602 | N396-L600 HydrophobicContact CB-CD1 4.15Å; I408-L600 HydrophobicContact CD1-CD2 4.04Å; I408-L600 HydrophobicContact CG2-CD2 4.07Å; V470-L600 HydrophobicContact CG1-CD2 4.07Å; L488-L600 HydrophobicContact CD1-CD1 4.35Å; A596-L600 WeakPolarHBondContact O-CB 3.36Å; A596-L600 WeakPolarHBondContact O-CG 3.05Å; A596-L600 PolarHBondContact O-N 3.19Å; R597-L600 CarbonylContact O-C 3.27Å; R597-L600 PolarHBondContact O-N 3.16Å; R597-L600 VanDerWaalsContact O-N 3.07Å; L600-G602 VanDerWaalsContact C-N 3.32Å |
| 601 | A | 79 | Confident | 71.6 | Confident | 76 Ų | 76 | 63.2 Ų | 63.2 | 63% | 0.628 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R597 D598 V599 K603 | R597-A601 VanDerWaalsContact O-CB 3.31Å; R597-A601 WeakPolarHBondContact O-CB 3.48Å; R597-A601 PolarHBondContact O-N 3.2Å; D598-A601 PolarHBondContact O-N 3.47Å; V599-A601 PolarHBondContact O-N 3.45Å; A601-K603 VanDerWaalsContact C-N 3.34Å; A601-K603 PolarHBondContact O-N 3.08Å |
| 602 | G | 69.6 | Low | 69.1 | Low | 67 Ų | 67 | 67.6 Ų | 67.6 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 14 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D598 V599 L600 | D598-G602 PolarHBondContact O-N 3.21Å; V599-G602 PolarHBondContact O-N 3.22Å; L600-G602 VanDerWaalsContact C-N 3.32Å |
| 603 | K | 74.1 | Confident | 66.6 | Low | 119 Ų | 119 | 70.7 Ų | 70.7 | 52% | 0.517 | 38% | 0.378 | S | S | . | . | trans | -68.8 | 145.7 | 173.4 | -60.8 | -174.4 | -171.2 | 165.5 | 0 | 110 | D598 A601 V605 | D598-K603 HydrophobicContact CB-CB 4.25Å; D598-K603 HydrophobicContact CB-CD 4.08Å; D598-K603 VanDerWaalsContact O-CB 3.31Å; D598-K603 WeakPolarHBondContact O-CB 3.49Å; D598-K603 PolarHBondContact O-N 2.84Å; D598-K603 WeakPolarHBondContact OD1-CD 3.39Å; D598-K603 WeakPolarHBondContact OD1-CE 3.08Å; D598-K603 IonicContact OD1-NZ 3.84Å; D598-K603 PolarHBondContact OD1-NZ 3.28Å; A601-K603 VanDerWaalsContact C-N 3.34Å; A601-K603 PolarHBondContact O-N 3.08Å; K603-V605 PolarHBondContact O-N 3.35Å | ||
| 604 | K | 63.2 | Low | 63.7 | Low | 219 Ų | 219 | 78.9 Ų | 78.9 | 95% | 0.952 | 42% | 0.416 | S | S | * | . | trans | -67 | 101.9 | 174.3 | -72.4 | -176.2 | 178.5 | -178.7 | 0 | 109.7 | ||||
| 605 | V | 63.6 | Low | 60.8 | Low | 38 Ų | 38 | 85.8 Ų | 85.8 | 23% | 0.23 | 45% | 0.448 | C | S | . | . | trans | -103.1 | 138.2 | 170.5 | -179 | 0 | 0 | 0 | 0 | 108.2 | Y455 D598 V599 K603 T607 | Y455-V605 HydrophobicContact CD1-CB 4.25Å; Y455-V605 HydrophobicContact CD1-CG1 4.16Å; D598-V605 HydrophobicContact CB-CG2 3.86Å; V599-V605 HydrophobicContact CG2-CB 4Å; V599-V605 HydrophobicContact CG2-CG1 4.34Å; V599-V605 HydrophobicContact CG2-CG2 3.81Å; K603-V605 PolarHBondContact O-N 3.35Å; V605-T607 PolarHBondContact O-N 3.42Å; V605-T607 VanDerWaalsContact O-N 3.09Å | ||
| 606 | Q | 61.8 | Low | 58.3 | Low | 127 Ų | 127 | 91.3 Ų | 91.3 | 59% | 0.593 | 48% | 0.484 | S | S | * | . | trans | -61.8 | 115 | 179.8 | -69.2 | 176.8 | 26.6 | 0 | 0 | 110.6 | G456 M464 | G456-Q606 PolarHBondContact N-O 3.08Å; M464-Q606 HydrophobicContact CE-CB 3.6Å | ||
| 607 | T | 58 | Low | 55.4 | Low | 92 Ų | 92 | 100.2 Ų | 100.2 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | B | Isolated β-bridge | trans | -74.7 | 151.1 | 170 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | Y455 V605 | Y455-T607 HydrophobicContact CD1-CG2 4.29Å; Y455-T607 HydrophobicContact CE1-CG2 4.22Å; V605-T607 PolarHBondContact O-N 3.42Å; V605-T607 VanDerWaalsContact O-N 3.09Å |
| 608 | L | 57.4 | Low | 52.5 | Low | 15 Ų | 15 | 105.3 Ų | 105.3 | 8% | 0.079 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -61.5 | 134.6 | 175.2 | -84.7 | 120.8 | 0 | 0 | 0 | 110.3 | M420 I454 Y455 R466 E610 L612 | M420-L608 HydrophobicContact CE-CB 3.68Å; M420-L608 HydrophobicContact CE-CD1 3.92Å; M420-L608 HydrophobicContact CE-CG 4.33Å; M420-L608 HydrophobicContact SD-CB 4.48Å; M420-L608 HydrophobicContact SD-CD1 4.35Å; I454-L608 HydrophobicContact CG2-CD1 3.96Å; Y455-L608 VanDerWaalsContact C-CD1 3.45Å; Y455-L608 WeakPolarHBondContact O-CD1 3.24Å; R466-L608 HydrophobicContact CB-CD1 4.49Å; R466-L608 HydrophobicContact CG-CD1 4.19Å; R466-L608 HydrophobicContact CG-CD2 3.78Å; L608-E610 PolarHBondContact O-N 3.18Å; L608-L612 HydrophobicContact CD2-CD1 4.11Å |
| 609 | P | 53.4 | Low | 49.9 | Very low | 74 Ų | 74 | 107 Ų | 107 | 48% | 0.481 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 133.8 | 168.8 | -20.6 | 30.7 | 0 | 0 | 0 | 110.9 | R611 L612 | P609-R611 PolarHBondContact O-N 2.8Å; P609-L612 PolarHBondContact O-N 2.9Å |
| 610 | E | 48.6 | Very low | 47.4 | Very low | 154 Ų | 154 | 111.1 Ų | 111.1 | 72% | 0.72 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -25.6 | -179.6 | -117.5 | 153.6 | 165.9 | 0 | 0 | 114 | L608 | L608-E610 PolarHBondContact O-N 3.18Š|
| 611 | R | 39.1 | Very low | 44.5 | Very low | 220 Ų | 220 | 116.9 Ų | 116.9 | 83% | 0.83 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 4.7 | -171.7 | -84.1 | -169.9 | -178.4 | 169.6 | 3.2 | 117.2 | P609 A613 | P609-R611 PolarHBondContact O-N 2.8Å; R611-A613 PolarHBondContact O-N 3.43Å |
| 612 | L | 37.4 | Very low | 41.8 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 48% | 0.482 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | 12.8 | 170.6 | -79.8 | 165.2 | 0 | 0 | 0 | 113.8 | L608 P609 H614 | L608-L612 HydrophobicContact CD2-CD1 4.11Å; P609-L612 PolarHBondContact O-N 2.9Å; L612-H614 VanDerWaalsContact C-N 3.33Å; L612-H614 PolarHBondContact O-N 3.01Å |
| 613 | A | 36.8 | Very low | 39.6 | Very low | 68 Ų | 68 | 125 Ų | 125 | 56% | 0.562 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -1.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R611 | R611-A613 PolarHBondContact O-N 3.43Š|
| 614 | H | 29.5 | Very low | 37.3 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 81% | 0.806 | 68% | 0.678 | S | S | * | * | trans | -123.5 | 81.4 | -178.4 | -64.8 | -13.2 | 0 | 0 | 0 | 111.6 | L612 | L612-H614 VanDerWaalsContact C-N 3.33Å; L612-H614 PolarHBondContact O-N 3.01Å | ||
| 615 | Q | 23.9 | Very low | 35.4 | Very low | 145 Ų | 145 | 121.3 Ų | 121.3 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 130.7 | 150.9 | -89.4 | -168.6 | -45.2 | 0 | 0 | 108.3 | R703 | Q615-R703 VanDerWaalsContact OE1-NH1 3.11Š|
| 616 | P | 25.4 | Very low | 33.5 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 135.5 | -167.3 | -15.2 | 29.1 | 0 | 0 | 0 | 111.9 | V618 | P616-V618 PolarHBondContact O-N 3.18Š|
| 617 | Q | 22 | Very low | 31.7 | Very low | 187 Ų | 187 | 121.7 Ų | 121.7 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 129.9 | 166.1 | -69 | -166.1 | -43.9 | 0 | 0 | 109.2 | G619 | Q617-G619 PolarHBondContact O-N 2.84Š|
| 618 | V | 22.5 | Very low | 30.1 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 90% | 0.903 | 71% | 0.708 | S | S | * | * | trans | -67.2 | 90.8 | 163.2 | 177.3 | 0 | 0 | 0 | 0 | 106.1 | P616 A620 | P616-V618 PolarHBondContact O-N 3.18Å; V618-A620 PolarHBondContact O-N 2.79Å | ||
| 619 | G | 23.3 | Very low | 28.4 | Very low | 52 Ų | 52 | 126.6 Ų | 126.6 | 54% | 0.536 | 74% | 0.739 | S | S | . | * | trans | -62.1 | 126.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q617 N621 | Q617-G619 PolarHBondContact O-N 2.84Å; G619-N621 PolarHBondContact O-N 2.82Å; G619-N621 VanDerWaalsContact O-N 3.16Å | ||
| 620 | A | 22.9 | Very low | 26.8 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -59.2 | 115.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V618 K622 | V618-A620 PolarHBondContact O-N 2.79Å; A620-K622 PolarHBondContact O-N 2.95Å | ||
| 621 | N | 23.3 | Very low | 25.7 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | -59 | 103.8 | 173.9 | -76.8 | -11.8 | 0 | 0 | 0 | 109.8 | G619 | G619-N621 PolarHBondContact O-N 2.82Å; G619-N621 VanDerWaalsContact O-N 3.16Å | ||
| 622 | K | 22.4 | Very low | 24.9 | Very low | 192 Ų | 192 | 120.8 Ų | 120.8 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | -88.8 | 124.6 | 152.2 | -97.1 | -174.7 | 176.2 | -177.7 | 0 | 107.6 | A620 V624 | A620-K622 PolarHBondContact O-N 2.95Å; K622-V624 PolarHBondContact O-N 3.4Å | ||
| 623 | P | 22.7 | Very low | 24.1 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -76.4 | 120.5 | 179.2 | 29.2 | -29 | 0 | 0 | 0 | 109.4 | ||||
| 624 | V | 26.4 | Very low | 23.5 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -106.6 | 118.1 | 162.6 | 179.6 | 0 | 0 | 0 | 0 | 106.9 | K622 | K622-V624 PolarHBondContact O-N 3.4Š| ||
| 625 | P | 23.4 | Very low | 23.2 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -89 | 130.3 | 171.6 | 32.5 | -26.2 | 0 | 0 | 0 | 109.4 | ||||
| 626 | G | 23.4 | Very low | 23.2 | Very low | 62 Ų | 62 | 132.6 Ų | 132.6 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | 159.4 | 93.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 627 | S | 23.4 | Very low | 23.1 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | 64.3 | 113 | 127.8 | -37.7 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 628 | S | 24 | Very low | 23.1 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | 84.1 | 107.4 | 127.4 | -49.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 629 | S | 22.5 | Very low | 23.2 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 69.4 | 114.4 | 126.3 | 65.5 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 630 | S | 20.7 | Very low | 23.1 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 61.7 | 110.4 | 130.6 | 62 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 631 | A | 24.3 | Very low | 23.1 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | -175.5 | 122.5 | 129.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 632 | S | 23.7 | Very low | 23 | Very low | 119 Ų | 119 | 151.1 Ų | 151.1 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | 64.5 | 111.7 | 129.4 | -43 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 633 | R | 20 | Very low | 23.1 | Very low | 247 Ų | 247 | 149.3 Ų | 149.3 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | -55.5 | 132 | 160.7 | -76.4 | 171 | 155.9 | 173.8 | -6.4 | 112 | ||||
| 634 | E | 24.8 | Very low | 23.1 | Very low | 173 Ų | 173 | 149 Ų | 149 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -133 | 124.3 | 153.2 | -122.9 | -164.5 | -171.1 | 0 | 0 | 111.2 | ||||
| 635 | T | 22.3 | Very low | 22.8 | Very low | 137 Ų | 137 | 150 Ų | 150 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -98.1 | 91.1 | -170.4 | -7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 636 | Q | 24.5 | Very low | 22.7 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -89.7 | 107 | 174.8 | -77.1 | -175 | -8.3 | 0 | 0 | 111.5 | ||||
| 637 | K | 22.6 | Very low | 22.6 | Very low | 210 Ų | 210 | 157 Ų | 157 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -64.3 | 128 | 166.4 | -73.2 | 174.6 | 174.6 | 175.3 | 0 | 109.7 | ||||
| 638 | R | 22.4 | Very low | 22.5 | Very low | 232 Ų | 232 | 160.2 Ų | 160.2 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -108.7 | 140.8 | 168.6 | -97.2 | -173.9 | 178.6 | -167.3 | 0.1 | 111.6 | ||||
| 639 | P | 24.2 | Very low | 22.4 | Very low | 113 Ų | 113 | 160.7 Ų | 160.7 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 154 | -172.2 | 11.5 | 8.6 | 0 | 0 | 0 | 113.1 | ||
| 640 | F | 21.6 | Very low | 22.4 | Very low | 219 Ų | 219 | 163.3 Ų | 163.3 | 96% | 0.961 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 123.6 | 176 | -76.8 | -100.5 | 0 | 0 | 0 | 111.7 | ||
| 641 | I | 23.3 | Very low | 22.6 | Very low | 150 Ų | 150 | 163.4 Ų | 163.4 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 120.5 | 176 | -64.9 | 170 | 0 | 0 | 0 | 109 | ||
| 642 | R | 21 | Very low | 22.6 | Very low | 240 Ų | 240 | 165.3 Ų | 165.3 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 130.9 | 175.6 | -152.1 | -178.4 | -150.8 | -173.5 | 5.3 | 109.5 | ||
| 643 | I | 24.5 | Very low | 22.6 | Very low | 155 Ų | 155 | 165.7 Ų | 165.7 | 80% | 0.795 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 128.1 | -176.4 | -60.3 | 168.4 | 0 | 0 | 0 | 109.5 | ||
| 644 | P | 22 | Very low | 22.8 | Very low | 115 Ų | 115 | 159.4 Ų | 159.4 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 133.5 | 179.1 | -12.2 | 27.7 | 0 | 0 | 0 | 112.9 | ||
| 645 | E | 20.3 | Very low | 22.7 | Very low | 156 Ų | 156 | 160 Ų | 160 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77 | 120.8 | 167.3 | -70 | -177.8 | 155.8 | 0 | 0 | 109.8 | Y647 | E645-Y647 HydrophobicContact CB-CE2 4.36Š|
| 646 | L | 21.2 | Very low | 22.7 | Very low | 141 Ų | 141 | 162 Ų | 162 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | -107.4 | 120.8 | 175.6 | -147.3 | 81.6 | 0 | 0 | 0 | 110.3 | F648 | L646-F648 HydrophobicContact CD2-CE2 4.45Å; L646-F648 HydrophobicContact CD2-CZ 4.06Å | ||
| 647 | Y | 21.9 | Very low | 22.7 | Very low | 192 Ų | 192 | 161.2 Ų | 161.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -88.2 | 134.7 | 176.3 | -70.7 | -97.4 | 0 | 0 | 0 | 110 | E645 | E645-Y647 HydrophobicContact CB-CE2 4.36Š| ||
| 648 | F | 21.2 | Very low | 22.7 | Very low | 179 Ų | 179 | 154.7 Ų | 154.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -109.2 | 123.6 | 169.9 | -71.9 | -79.3 | 0 | 0 | 0 | 109.8 | L646 | L646-F648 HydrophobicContact CD2-CE2 4.45Å; L646-F648 HydrophobicContact CD2-CZ 4.06Å | ||
| 649 | S | 21.2 | Very low | 22.8 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 131.6 | 174.5 | -48.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 650 | I | 23.2 | Very low | 22.5 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72 | 125.8 | -179.3 | -61 | 165.7 | 0 | 0 | 0 | 109.2 | T652 | I650-T652 PolarHBondContact O-N 3.03Š|
| 651 | P | 24.3 | Very low | 22.6 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74 | 123 | 176.4 | -12.4 | 27.5 | 0 | 0 | 0 | 111.4 | ||
| 652 | T | 24.1 | Very low | 22.7 | Very low | 132 Ų | 132 | 151.8 Ų | 151.8 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 131.3 | 173.4 | -37.8 | 0 | 0 | 0 | 0 | 110.6 | I650 P654 | I650-T652 PolarHBondContact O-N 3.03Å; T652-P654 WeakPolarHBondContact O-CD 3.37Å |
| 653 | V | 23.6 | Very low | 22.7 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 120.4 | 179.6 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 654 | P | 25.6 | Very low | 22.8 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 124.9 | 174.3 | -11.9 | 28.2 | 0 | 0 | 0 | 110.7 | T652 | T652-P654 WeakPolarHBondContact O-CD 3.37Š|
| 655 | Q | 22.5 | Very low | 22.8 | Very low | 186 Ų | 186 | 150.4 Ų | 150.4 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 131.1 | 173.2 | -73.7 | -160 | -56.6 | 0 | 0 | 111.4 | I657 | Q655-I657 PolarHBondContact O-N 2.89Š|
| 656 | L | 21.3 | Very low | 23.1 | Very low | 177 Ų | 177 | 148 Ų | 148 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 116.8 | 170.2 | -89.3 | 83 | 0 | 0 | 0 | 110.2 | ||
| 657 | I | 25.6 | Very low | 23.1 | Very low | 155 Ų | 155 | 147 Ų | 147 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | trans | -118.2 | 114.5 | 158 | -66.1 | 173.5 | 0 | 0 | 0 | 107 | Q655 | Q655-I657 PolarHBondContact O-N 2.89Š| ||
| 658 | G | 21.4 | Very low | 23.4 | Very low | 73 Ų | 73 | 142.3 Ų | 142.3 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -72.5 | 131.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 659 | K | 24 | Very low | 23.6 | Very low | 206 Ų | 206 | 138 Ų | 138 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -130.2 | 113 | 154.3 | -89.8 | -174.7 | 174.6 | -178.4 | 0 | 108.9 | ||||
| 660 | S | 19.8 | Very low | 23.8 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -71 | 128.6 | 161.9 | 149.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 661 | E | 23.8 | Very low | 23.8 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -173.1 | 137.4 | 140.4 | -105.9 | 159.7 | -172 | 0 | 0 | 113.9 | ||||
| 662 | Q | 24.6 | Very low | 23.8 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 65.2 | 100 | 145.8 | -81 | 160.9 | -28.7 | 0 | 0 | 121.8 | ||||
| 663 | K | 21.4 | Very low | 23.9 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | -3.5 | 126.1 | 127 | -69 | 174.6 | 175.3 | 174.5 | 0 | 115.1 | |||||
| 664 | N | 26.2 | Very low | 24 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | -150.6 | 139.7 | 134.4 | -95.1 | -24.9 | 0 | 0 | 0 | 111.2 | ||||
| 665 | S | 21.4 | Very low | 23.9 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -103.3 | 134.2 | -173.4 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 666 | S | 25.8 | Very low | 24.1 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -174.9 | 112.9 | 146.9 | 48.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 667 | S | 23.2 | Very low | 24.2 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | 50.6 | 91.9 | 73.4 | 69.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 668 | A | 27.7 | Very low | 24 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -150.6 | 105 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 669 | A | 23.9 | Very low | 24.3 | Very low | 89 Ų | 89 | 136.3 Ų | 136.3 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -80.7 | 130 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 670 | F | 25.7 | Very low | 24.3 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -126.1 | 106.9 | 153.9 | -84.5 | -82.1 | 0 | 0 | 0 | 106.8 | ||||
| 671 | S | 24.3 | Very low | 24.5 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -102.5 | 106.4 | 171 | -64 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 672 | D | 24.8 | Very low | 24.5 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -105.7 | 107.5 | 161.7 | -90.7 | -24.6 | 0 | 0 | 0 | 108 | ||||
| 673 | S | 24.9 | Very low | 24.6 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -104.7 | 105.5 | 171.3 | -62.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 674 | S | 25.6 | Very low | 24.6 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -113.8 | 92.2 | 166.5 | 63.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 675 | S | 24.7 | Very low | 24.4 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -85 | 108.7 | 165.4 | 49.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 676 | H | 26.2 | Very low | 24.6 | Very low | 190 Ų | 190 | 128 Ų | 128 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | trans | -113.5 | 110.6 | 160 | -93.8 | -65.9 | 0 | 0 | 0 | 109 | ||||
| 677 | S | 22.7 | Very low | 24.5 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -93.4 | 159.3 | 165.9 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 678 | S | 22.3 | Very low | 24.5 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 74.7 | 104.1 | 162.8 | 74.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 679 | S | 27.8 | Very low | 24.2 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | -155.2 | 129.5 | 111.8 | 55.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 680 | T | 22.7 | Very low | 24.2 | Very low | 135 Ų | 135 | 138 Ų | 138 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -75.5 | 119.5 | 163.9 | 39.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 681 | D | 25.6 | Very low | 24 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -128.2 | 114.6 | 156.4 | -87.9 | -40 | 0 | 0 | 0 | 109 | ||||
| 682 | A | 22.6 | Very low | 24 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -73.8 | 123.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 683 | S | 26 | Very low | 23.8 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -144 | 89.6 | 162 | -71.1 | 0 | 0 | 0 | 0 | 107.3 | S685 | S683-S685 PolarHBondContact O-N 3.18Š| ||
| 684 | E | 21.3 | Very low | 23.7 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -67.3 | 113.9 | 158.5 | -74.8 | 178.2 | 148 | 0 | 0 | 107.9 | ||||
| 685 | S | 23.3 | Very low | 23.6 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -161.6 | 120.6 | 156.7 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | S683 | S683-S685 PolarHBondContact O-N 3.18Š| ||
| 686 | H | 25.2 | Very low | 23.5 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | 73.2 | 87.7 | 153.9 | -78.2 | -87.4 | 0 | 0 | 0 | 119.1 | N688 | H686-N688 VanDerWaalsContact C-N 3.3Å; H686-N688 PolarHBondContact O-N 3.25Å | ||
| 687 | E | 22.9 | Very low | 23.4 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -56.3 | 88.3 | 147 | -67.2 | -176.9 | 141.6 | 0 | 0 | 110.4 | M689 | E687-M689 PolarHBondContact O-N 3.23Š| ||
| 688 | N | 23.4 | Very low | 23.4 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -84.8 | 95.9 | 162.6 | -90.5 | -19 | 0 | 0 | 0 | 109.1 | H686 V690 | H686-N688 VanDerWaalsContact C-N 3.3Å; H686-N688 PolarHBondContact O-N 3.25Å; N688-V690 PolarHBondContact O-N 3.1Å | ||
| 689 | M | 22.7 | Very low | 23.7 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -64 | 68.9 | 174.1 | -168.3 | 172.7 | 153.2 | 0 | 0 | 110.8 | E687 T691 | E687-M689 PolarHBondContact O-N 3.23Å; M689-T691 PolarHBondContact O-N 3.08Å | ||
| 690 | V | 24 | Very low | 23.6 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | trans | -85.1 | 100.8 | 170.3 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | N688 S692 | N688-V690 PolarHBondContact O-N 3.1Å; V690-S692 PolarHBondContact O-N 3.41Å | ||
| 691 | T | 21.9 | Very low | 24 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -56.6 | 74 | 168.1 | 36.5 | 0 | 0 | 0 | 0 | 111 | M689 K693 | M689-T691 PolarHBondContact O-N 3.08Å; T691-K693 PolarHBondContact O-N 2.84Å; T691-K693 VanDerWaalsContact O-N 3.07Å | ||
| 692 | S | 23.2 | Very low | 24.5 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -73.2 | 101 | 166.5 | 47.3 | 0 | 0 | 0 | 0 | 107.9 | V690 S694 | V690-S692 PolarHBondContact O-N 3.41Å; S692-S694 PolarHBondContact O-N 2.97Å | ||
| 693 | K | 21.4 | Very low | 25 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -36.1 | 113.2 | 167.8 | -82.4 | 172 | 171.9 | 171.9 | 0 | 109.4 | T691 A695 | T691-K693 PolarHBondContact O-N 2.84Å; T691-K693 VanDerWaalsContact O-N 3.07Å; K693-A695 PolarHBondContact O-N 2.91Å | ||
| 694 | S | 22 | Very low | 25.4 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -52 | 107.8 | 166.1 | 51 | 0 | 0 | 0 | 0 | 107.5 | S692 D696 | S692-S694 PolarHBondContact O-N 2.97Å; S694-D696 PolarHBondContact O-N 2.83Å | ||
| 695 | A | 23.1 | Very low | 26.4 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | trans | -52.7 | 124.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | K693 E697 | K693-A695 PolarHBondContact O-N 2.91Å; A695-E697 PolarHBondContact O-N 2.81Å | ||
| 696 | D | 22.9 | Very low | 27.1 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 83% | 0.834 | 66% | 0.659 | S | S | * | * | trans | -46.7 | 104.8 | 172.9 | -86.6 | -44.6 | 0 | 0 | 0 | 109 | S694 S698 | S694-D696 PolarHBondContact O-N 2.83Å; D696-S698 PolarHBondContact O-N 3.41Å | ||
| 697 | E | 23.9 | Very low | 27.6 | Very low | 173 Ų | 173 | 118 Ų | 118 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | trans | -62.9 | 88.3 | 160.3 | -82.9 | -169.7 | 147.9 | 0 | 0 | 106 | A695 D699 | A695-E697 PolarHBondContact O-N 2.81Å; E697-D699 PolarHBondContact O-N 3.47Å; E697-D699 VanDerWaalsContact O-N 3.13Å | ||
| 698 | S | 24.1 | Very low | 28.3 | Very low | 92 Ų | 92 | 115 Ų | 115 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | trans | -55.7 | 119 | 171.8 | 17.5 | 0 | 0 | 0 | 0 | 107.3 | D696 E700 | D696-S698 PolarHBondContact O-N 3.41Å; S698-E700 PolarHBondContact O-N 2.79Å | ||
| 699 | D | 27.2 | Very low | 28.7 | Very low | 137 Ų | 137 | 112.4 Ų | 112.4 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | trans | -58 | 79 | 178.6 | -113.8 | -25 | 0 | 0 | 0 | 109.7 | E697 S701 | E697-D699 PolarHBondContact O-N 3.47Å; E697-D699 VanDerWaalsContact O-N 3.13Å; D699-S701 PolarHBondContact O-N 3.49Å | ||
| 700 | E | 26.2 | Very low | 29.1 | Very low | 98 Ų | 98 | 113.2 Ų | 113.2 | 46% | 0.458 | 61% | 0.61 | S | S | . | * | trans | -75.4 | 11 | -178.9 | -160.4 | 141.2 | 144.1 | 0 | 0 | 112.5 | R418 S698 | R418-E700 IonicContact CZ-OE1 3.07Å; R418-E700 VanDerWaalsContact CZ-OE1 3.25Å; R418-E700 IonicContact CZ-OE2 3.1Å; R418-E700 IonicContact NE-OE1 2.76Å; R418-E700 PolarHBondContact NE-OE1 2.89Å; R418-E700 IonicContact NH2-OE1 3.12Å; R418-E700 PolarHBondContact NH2-OE1 3.49Å; R418-E700 IonicContact NH2-OE2 3.95Å; R418-E700 PolarHBondContact NH2-OE2 2.84Å; S698-E700 PolarHBondContact O-N 2.79Å | ||
| 701 | S | 31.3 | Very low | 29.2 | Very low | 53 Ų | 53 | 113.4 Ų | 113.4 | 37% | 0.371 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -98.9 | 113.1 | 176.8 | -177.3 | 0 | 0 | 0 | 0 | 109 | D699 | D699-S701 PolarHBondContact O-N 3.49Š|
| 702 | T | 35.5 | Very low | 29.4 | Very low | 59 Ų | 59 | 115 Ų | 115 | 36% | 0.362 | 61% | 0.609 | S | S | . | * | trans | 90.6 | 93.8 | 163.5 | 71.6 | 0 | 0 | 0 | 0 | 118.5 | R546 T704 | R546-T702 PolarHBondContact NH2-OG1 2.79Å; R546-T702 VanDerWaalsContact NH2-OG1 3.13Å; T702-T704 PolarHBondContact O-N 2.85Å | ||
| 703 | R | 33.8 | Very low | 29.5 | Very low | 168 Ų | 168 | 118.4 Ų | 118.4 | 63% | 0.634 | 61% | 0.611 | S | S | * | * | trans | -73.4 | 115.1 | 158.3 | -67 | 179 | -177.6 | -164.9 | -4 | 109.2 | Q615 | Q615-R703 VanDerWaalsContact OE1-NH1 3.11Š| ||
| 704 | T | 33.7 | Very low | 29.6 | Very low | 69 Ų | 69 | 114.5 Ų | 114.5 | 42% | 0.423 | 61% | 0.606 | S | S | . | * | trans | -82.1 | 130.9 | 171.9 | 32.2 | 0 | 0 | 0 | 0 | 111.7 | T702 | T702-T704 PolarHBondContact O-N 2.85Š| ||
| 705 | I | 41.9 | Very low | 29.8 | Very low | 26 Ų | 26 | 120.9 Ų | 120.9 | 13% | 0.133 | 61% | 0.613 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.7 | 173.7 | -57.5 | 156 | 0 | 0 | 0 | 109 | W459 N573 L575 S576 | W459-I705 HydrophobicContact CH2-CD1 4.22Å; W459-I705 HydrophobicContact CZ2-CD1 3.9Å; N573-I705 VanDerWaalsContact ND2-CD1 3.29Å; N573-I705 WeakPolarHBondContact ND2-CD1 3.05Å; L575-I705 HydrophobicContact CD2-CB 3.81Å; L575-I705 HydrophobicContact CD2-CD1 3.62Å; L575-I705 HydrophobicContact CD2-CG1 4.26Å; L575-I705 HydrophobicContact CD2-CG2 4.43Å; S576-I705 PolarHBondContact N-O 3.48Å |
| 706 | R | 37.9 | Very low | 29.9 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.8 | 175.6 | -70.5 | 172.3 | 175.9 | 179.2 | 3.9 | 109.2 | S576 | S576-R706 WeakPolarHBondContact O-CA 3.31Å |
| 707 | L | 36.6 | Very low | 30.1 | Very low | 38 Ų | 38 | 121.7 Ų | 121.7 | 20% | 0.199 | 62% | 0.617 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.7 | 171.1 | -68.7 | 155 | 0 | 0 | 0 | 108.9 | L527 L575 S576 L577 K578 | L527-L707 HydrophobicContact CD2-CD1 3.49Å; L527-L707 VanDerWaalsContact CD2-CD1 3.49Å; L527-L707 HydrophobicContact CD2-CD2 4.17Å; L575-L707 HydrophobicContact CB-CD1 4.4Å; L575-L707 HydrophobicContact CD1-CD1 3.9Å; S576-L707 PolarHBondContact O-N 2.86Å; L577-L707 HydrophobicContact CD2-CB 3.57Å; L577-L707 HydrophobicContact CD2-CD1 3.66Å; L577-L707 HydrophobicContact CD2-CG 4.24Å; K578-L707 PolarHBondContact N-O 2.98Å |
| 708 | N | 37.8 | Very low | 30.3 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 69% | 0.69 | 62% | 0.621 | S | S | * | * | trans | -102.1 | 102.2 | 169.3 | -72.1 | -29.4 | 0 | 0 | 0 | 107.5 | K710 | N708-K710 PolarHBondContact O-N 2.92Š| ||
| 709 | V | 31.9 | Very low | 30.4 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 49% | 0.491 | 63% | 0.632 | S | S | . | * | trans | -78.8 | 112 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | L577 | L577-V709 HydrophobicContact CD2-CG2 4.34Š| ||
| 710 | K | 30 | Very low | 30.5 | Very low | 191 Ų | 191 | 128 Ų | 128 | 83% | 0.83 | 64% | 0.637 | S | S | * | * | trans | -89 | 125.8 | 166.1 | -82.3 | -176.6 | 178 | 176.3 | 0 | 108.8 | N708 L712 | N708-K710 PolarHBondContact O-N 2.92Å; K710-L712 PolarHBondContact O-N 3.49Å | ||
| 711 | L | 27.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 63% | 0.634 | 65% | 0.652 | S | S | * | * | trans | -69.1 | 110.2 | 169 | -148.2 | 88.5 | 0 | 0 | 0 | 108.1 | K713 | L711-K713 PolarHBondContact O-N 3.18Å; L711-K713 VanDerWaalsContact O-N 3.08Å | ||
| 712 | L | 26.1 | Very low | 30.4 | Very low | 156 Ų | 156 | 131 Ų | 131 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | trans | -65 | 107.7 | 168.9 | -82.6 | 158.2 | 0 | 0 | 0 | 107.9 | K710 | K710-L712 PolarHBondContact O-N 3.49Š| ||
| 713 | K | 24.4 | Very low | 29.8 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 78% | 0.778 | 69% | 0.691 | S | S | * | * | trans | -65.1 | 131.5 | 163.3 | -70.4 | -177.1 | 177.4 | -177.7 | 0 | 107.3 | L711 R715 | L711-K713 PolarHBondContact O-N 3.18Å; L711-K713 VanDerWaalsContact O-N 3.08Å; K713-R715 PolarHBondContact O-N 2.97Å | ||
| 714 | P | 24.5 | Very low | 29.5 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -59.5 | 117.1 | 178.3 | 23.5 | -31.4 | 0 | 0 | 0 | 109.2 | L716 | P714-L716 PolarHBondContact O-N 3.46Å; P714-L716 VanDerWaalsContact O-N 3.13Å | ||
| 715 | R | 25.1 | Very low | 28.9 | Very low | 244 Ų | 244 | 138.1 Ų | 138.1 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | trans | -72.5 | 99.4 | 170.7 | -83.9 | -176 | 168.4 | 179 | -3.6 | 107.8 | K713 A717 | K713-R715 PolarHBondContact O-N 2.97Å; R715-A717 PolarHBondContact O-N 3.17Å | ||
| 716 | L | 25.3 | Very low | 28 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | trans | -79.5 | 17 | 176.5 | -152 | 80.1 | 0 | 0 | 0 | 113.8 | P714 | P714-L716 PolarHBondContact O-N 3.46Å; P714-L716 VanDerWaalsContact O-N 3.13Å | ||
| 717 | A | 27.5 | Very low | 27.3 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -113.2 | 22.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R715 | R715-A717 PolarHBondContact O-N 3.17Š| ||
| 718 | K | 27.7 | Very low | 26.6 | Very low | 206 Ų | 206 | 148.3 Ų | 148.3 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -112.7 | 12.4 | -178.6 | -130.5 | -176.8 | -178.2 | -172.9 | 0 | 116.5 | ||
| 719 | L | 26 | Very low | 26.1 | Very low | 169 Ų | 169 | 146 Ų | 146 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -105.1 | 2.6 | 174.6 | -148.9 | 77.2 | 0 | 0 | 0 | 114.6 | G721 | L719-G721 PolarHBondContact O-N 2.95Š|
| 720 | L | 29.3 | Very low | 25.6 | Very low | 160 Ų | 160 | 153 Ų | 153 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -99.3 | 84.4 | 170.3 | -69.4 | 168.9 | 0 | 0 | 0 | 108.7 | I722 | L720-I722 PolarHBondContact O-N 2.83Š| ||
| 721 | G | 25 | Very low | 25.4 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -67.1 | 106.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L719 | L719-G721 PolarHBondContact O-N 2.95Š| ||
| 722 | I | 30.8 | Very low | 25.2 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | trans | -119.7 | 107.3 | 161.1 | -60.8 | 178.3 | 0 | 0 | 0 | 106 | L720 N724 | L720-I722 PolarHBondContact O-N 2.83Å; I722-N724 PolarHBondContact O-N 2.69Å | ||
| 723 | H | 24.3 | Very low | 25.2 | Very low | 178 Ų | 178 | 151.3 Ų | 151.3 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -50.8 | 125.1 | 169.2 | -88.3 | -106.6 | 0 | 0 | 0 | 109.8 | ||||
| 724 | N | 26.3 | Very low | 25.1 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -144.1 | 97.8 | 152.5 | -95.1 | -28.3 | 0 | 0 | 0 | 108.6 | I722 | I722-N724 PolarHBondContact O-N 2.69Š| ||
| 725 | S | 21 | Very low | 25 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -64.9 | 123 | 167.3 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 726 | K | 24.6 | Very low | 24.9 | Very low | 206 Ų | 206 | 140.7 Ų | 140.7 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -151.8 | 97.9 | 154.6 | -112 | 174.6 | -174.2 | -179.5 | 0 | 111.1 | ||||
| 727 | S | 22.3 | Very low | 24.8 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | 33 | 116.2 | 131.9 | -145.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 728 | T | 22.3 | Very low | 24.6 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 47 | 107.4 | 130 | 61.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 729 | G | 26.3 | Very low | 24.3 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -153.8 | 91.1 | 159 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 730 | R | 21.2 | Very low | 24.2 | Very low | 229 Ų | 229 | 135.9 Ų | 135.9 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -88.4 | 114.5 | 177.1 | -176 | -179.6 | -170.9 | 166.6 | 2.3 | 107.9 | ||||
| 731 | S | 27.2 | Very low | 23.8 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -148.1 | 129 | 158.2 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 732 | H | 22.6 | Very low | 23.7 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -72.6 | 171.2 | 179.3 | -75.6 | -108 | 0 | 0 | 0 | 111.3 | ||||
| 733 | I | 25.3 | Very low | 23.3 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 118.7 | 118.1 | 139.8 | -57.9 | 178.8 | 0 | 0 | 0 | 116 | ||||
| 734 | S | 23.5 | Very low | 23.2 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | 80.1 | 95.9 | 146.8 | -159.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 735 | S | 20.7 | Very low | 23 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -52.8 | 120.7 | 147.6 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 736 | S | 23.7 | Very low | 23.1 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -127.1 | 122.2 | 151.9 | 65 | 0 | 0 | 0 | 0 | 109 | T738 | S736-T738 PolarHBondContact O-N 3.32Š| ||
| 737 | S | 22.4 | Very low | 23.2 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -72.6 | 103.5 | 178.7 | 59 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 738 | T | 23.7 | Very low | 23.2 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -128.2 | 122.1 | 154.3 | 51.4 | 0 | 0 | 0 | 0 | 107 | S736 Q740 | S736-T738 PolarHBondContact O-N 3.32Å; T738-Q740 PolarHBondContact O-N 3.07Å | ||
| 739 | S | 22.2 | Very low | 23.4 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -47.7 | 107.3 | 170.6 | -53.2 | 0 | 0 | 0 | 0 | 107.9 | E741 | S739-E741 VanDerWaalsContact C-N 3.27Å; S739-E741 PolarHBondContact O-N 2.83Å | ||
| 740 | Q | 23.2 | Very low | 23.5 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | -67.5 | 92.8 | -180 | -85 | -177.8 | -16.2 | 0 | 0 | 108.5 | T738 I742 | T738-Q740 PolarHBondContact O-N 3.07Å; Q740-I742 PolarHBondContact O-N 3.19Å | ||
| 741 | E | 22.1 | Very low | 23.7 | Very low | 160 Ų | 160 | 131 Ų | 131 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -59.6 | 103.5 | 155.3 | -165.4 | 173.9 | -145.9 | 0 | 0 | 106 | S739 K743 | S739-E741 VanDerWaalsContact C-N 3.27Å; S739-E741 PolarHBondContact O-N 2.83Å; E741-K743 PolarHBondContact O-N 3.1Å | ||
| 742 | I | 22 | Very low | 23.8 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -68.7 | 82 | 169.5 | -58.2 | 174.4 | 0 | 0 | 0 | 105.7 | Q740 | Q740-I742 PolarHBondContact O-N 3.19Š| ||
| 743 | K | 22.3 | Very low | 24.2 | Very low | 158 Ų | 158 | 134 Ų | 134 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | -62.4 | 126.4 | 165.4 | -120.7 | 173 | -175.5 | 170.8 | 0 | 106 | E741 Y745 | E741-K743 PolarHBondContact O-N 3.1Å; K743-Y745 PolarHBondContact O-N 3.06Å | ||
| 744 | P | 23.3 | Very low | 24.4 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -54.7 | 130.6 | 171.6 | 22.1 | -29.5 | 0 | 0 | 0 | 107.3 | L746 | P744-L746 VanDerWaalsContact C-N 3.27Å; P744-L746 PolarHBondContact O-N 2.86Å | ||
| 745 | Y | 22.2 | Very low | 25.2 | Very low | 226 Ų | 226 | 131.8 Ų | 131.8 | 89% | 0.886 | 75% | 0.753 | S | S | * | * | trans | -52.7 | 104.7 | 162.1 | -84.6 | -91.7 | 0 | 0 | 0 | 106.1 | K743 P747 | K743-Y745 PolarHBondContact O-N 3.06Å; Y745-P747 WeakPolarHBondContact O-CD 3.16Å | ||
| 746 | L | 22 | Very low | 26.3 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | -61.8 | 119.6 | 162.8 | -158.9 | 76 | 0 | 0 | 0 | 103.8 | P744 S748 | P744-L746 VanDerWaalsContact C-N 3.27Å; P744-L746 PolarHBondContact O-N 2.86Å; L746-S748 PolarHBondContact O-N 3.35Å; L746-S748 VanDerWaalsContact O-N 3.09Å | ||
| 747 | P | 25.9 | Very low | 27.1 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 71% | 0.708 | S | S | * | * | trans | -52.4 | 125.7 | 171.1 | -19.1 | 30.6 | 0 | 0 | 0 | 106.4 | Y745 S749 | Y745-P747 WeakPolarHBondContact O-CD 3.16Å; P747-S749 PolarHBondContact O-N 3.22Å; P747-S749 VanDerWaalsContact O-N 3.13Å | ||
| 748 | S | 23.9 | Very low | 28.3 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | -44.1 | 126.3 | 171.9 | 172.8 | 0 | 0 | 0 | 0 | 108 | L746 G750 | L746-S748 PolarHBondContact O-N 3.35Å; L746-S748 VanDerWaalsContact O-N 3.09Å; S748-G750 PolarHBondContact O-N 2.88Å | ||
| 749 | S | 26.1 | Very low | 29.6 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -63.3 | 55 | 166.9 | 170.7 | 0 | 0 | 0 | 0 | 109.9 | P747 | P747-S749 PolarHBondContact O-N 3.22Å; P747-S749 VanDerWaalsContact O-N 3.13Å | ||
| 750 | G | 27.2 | Very low | 31 | Very low | 46 Ų | 46 | 124.6 Ų | 124.6 | 47% | 0.474 | 70% | 0.697 | S | S | . | * | trans | -91.6 | 93.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 105.1 | S748 K752 | S748-G750 PolarHBondContact O-N 2.88Å; G750-K752 PolarHBondContact O-N 3.3Å | ||
| 751 | T | 26.8 | Very low | 32.4 | Very low | 121 Ų | 121 | 120 Ų | 120 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | trans | -59.8 | 71.5 | 163.6 | -34.5 | 0 | 0 | 0 | 0 | 107.6 | I753 | T751-I753 PolarHBondContact O-N 3.17Š| ||
| 752 | K | 28.8 | Very low | 33.8 | Very low | 196 Ų | 196 | 115.3 Ų | 115.3 | 85% | 0.852 | 68% | 0.676 | S | S | * | * | trans | -75.5 | 84.9 | 166.5 | -73.6 | -168.7 | 178.4 | -174.6 | 0 | 104.5 | G750 P754 | G750-K752 PolarHBondContact O-N 3.3Å; K752-P754 VanDerWaalsContact O-N 3.17Å | ||
| 753 | I | 30.8 | Very low | 35 | Very low | 131 Ų | 131 | 118.4 Ų | 118.4 | 67% | 0.672 | 68% | 0.678 | S | S | * | * | trans | -40.7 | 123.3 | 162 | -60.9 | 168.2 | 0 | 0 | 0 | 105.3 | T751 V755 | T751-I753 PolarHBondContact O-N 3.17Å; I753-V755 PolarHBondContact O-N 3.11Å | ||
| 754 | P | 30.4 | Very low | 36.2 | Very low | 105 Ų | 105 | 114 Ų | 114 | 68% | 0.682 | 67% | 0.665 | S | S | * | * | trans | -56 | 113.4 | -179.1 | 20.7 | -29 | 0 | 0 | 0 | 106.9 | K752 V756 | K752-P754 VanDerWaalsContact O-N 3.17Å; P754-V756 VanDerWaalsContact C-N 3.25Å; P754-V756 WeakPolarHBondContact O-CG2 3.16Å; P754-V756 PolarHBondContact O-N 3.02Å | ||
| 755 | V | 39.8 | Very low | 37.4 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 69% | 0.685 | 66% | 0.661 | S | S | * | * | trans | -68.8 | 93.6 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 105.1 | I753 C757 | I753-V755 PolarHBondContact O-N 3.11Å; V755-C757 WeakPolarHBondContact CG1-O 3.26Å; V755-C757 PolarHBondContact O-N 3.37Å | ||
| 756 | V | 44.5 | Very low | 38.4 | Very low | 86 Ų | 86 | 112.7 Ų | 112.7 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -62.2 | -33.5 | -172.3 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | P754 V778 C780 | P754-V756 VanDerWaalsContact C-N 3.25Å; P754-V756 WeakPolarHBondContact O-CG2 3.16Å; P754-V756 PolarHBondContact O-N 3.02Å; V756-V778 HydrophobicContact CG1-CG1 4.47Å; V756-C780 VanDerWaalsContact C-SG 3.58Å; V756-C780 PolarHBondContact O-SG 3.5Å |
| 757 | C | 38.8 | Very low | 39.3 | Very low | 13 Ų | 13 | 110 Ų | 110 | 9% | 0.088 | 65% | 0.649 | C | S | . | * | S | Bend | trans | -116.7 | 116 | 174.5 | -52.8 | 0 | 0 | 0 | 0 | 109.6 | V755 T759 Q762 C780 | V755-C757 WeakPolarHBondContact CG1-O 3.26Å; V755-C757 PolarHBondContact O-N 3.37Å; C757-T759 PolarHBondContact O-N 3.07Å; C757-Q762 HydrophobicContact CB-CB 3.7Å; C757-C780 WeakPolarHBondContact CA-SG 3.22Å; C757-C780 HydrophobicContact CB-CB 3.86Å; C757-C780 WeakPolarHBondContact CB-SG 3.27Å; C757-C780 WeakPolarHBondContact SG-CB 3.5Å; C757-C780 CovalentContact SG-SG 2.04Å; C757-C780 PolarHBondContact SG-SG 2.92Å |
| 758 | S | 48.5 | Very low | 40.2 | Very low | 115 Ų | 115 | 108 Ų | 108 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -69 | -13.6 | -171.6 | -62.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 759 | T | 51.5 | Low | 40.9 | Very low | 76 Ų | 76 | 109.4 Ų | 109.4 | 47% | 0.466 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -97.8 | 126.9 | 179.9 | 23.9 | 0 | 0 | 0 | 0 | 111.5 | C757 G761 Q762 | C757-T759 PolarHBondContact O-N 3.07Å; T759-G761 PolarHBondContact O-N 2.7Å; T759-Q762 PolarHBondContact O-N 3.4Å; T759-Q762 PolarHBondContact OG1-NE2 3.27Å; T759-Q762 PolarHBondContact OG1-OE1 2.84Å |
| 760 | P | 50.4 | Low | 41.5 | Very low | 135 Ų | 135 | 108 Ų | 108 | 88% | 0.877 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 130.4 | 176 | -22.5 | 32.1 | 0 | 0 | 0 | 111.7 | ||
| 761 | G | 52.3 | Low | 41.9 | Very low | 84 Ų | 84 | 109.4 Ų | 109.4 | 87% | 0.866 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.8 | -9.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T759 | T759-G761 PolarHBondContact O-N 2.7Š|
| 762 | Q | 52.5 | Low | 42.3 | Very low | 61 Ų | 61 | 109.5 Ų | 109.5 | 29% | 0.285 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -78.7 | 127.7 | 174.1 | -67.9 | -164.7 | -21.2 | 0 | 0 | 111.7 | C757 T759 P781 | C757-Q762 HydrophobicContact CB-CB 3.7Å; T759-Q762 PolarHBondContact O-N 3.4Å; T759-Q762 PolarHBondContact OG1-NE2 3.27Å; T759-Q762 PolarHBondContact OG1-OE1 2.84Å; Q762-P781 PolarHBondContact NE2-O 2.95Å |
| 763 | R | 47 | Very low | 42.5 | Very low | 222 Ų | 222 | 106.6 Ų | 106.6 | 84% | 0.838 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 136.1 | 169.4 | -77.5 | -176.1 | 178.9 | 178.8 | 0.9 | 110.1 | ||
| 764 | P | 47.7 | Very low | 42.9 | Very low | 64 Ų | 64 | 105.3 Ų | 105.3 | 42% | 0.416 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 139.2 | 173.6 | 3.1 | 3.7 | 0 | 0 | 0 | 111 | K766 V778 | P764-K766 PolarHBondContact O-N 3.09Å; P764-V778 HydrophobicContact CB-CG1 3.27Å; P764-V778 HydrophobicContact CG-CG1 4.3Å |
| 765 | I | 49.3 | Very low | 43 | Very low | 120 Ų | 120 | 106.1 Ų | 106.1 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 116.4 | 175.6 | -60.9 | 170.4 | 0 | 0 | 0 | 107.7 | P781 | I765-P781 HydrophobicContact CD1-CB 4.32Å; I765-P781 HydrophobicContact CD1-CG 4.11Å; I765-P781 HydrophobicContact CG1-CG 4.38Å |
| 766 | K | 41.4 | Very low | 42.8 | Very low | 186 Ų | 186 | 103.4 Ų | 103.4 | 81% | 0.809 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 138.8 | 172.6 | -92.8 | -178.8 | 175.5 | 179.6 | 0 | 109.6 | P764 | P764-K766 PolarHBondContact O-N 3.09Š|
| 767 | P | 42.7 | Very low | 42.3 | Very low | 101 Ų | 101 | 105.5 Ų | 105.5 | 66% | 0.656 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141.6 | 168 | -20 | 30.3 | 0 | 0 | 0 | 110.7 | ||
| 768 | A | 43.5 | Very low | 42.3 | Very low | 70 Ų | 70 | 108.6 Ų | 108.6 | 58% | 0.579 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 142 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | G770 S771 | A768-G770 PolarHBondContact O-N 2.67Å; A768-S771 PolarHBondContact O-N 2.89Å; A768-S771 PolarHBondContact O-OG 3.12Å |
| 769 | P | 38.3 | Very low | 42.1 | Very low | 140 Ų | 140 | 107.9 Ų | 107.9 | 91% | 0.909 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 118.3 | 179.8 | 25.8 | -32.1 | 0 | 0 | 0 | 109.5 | ||
| 770 | G | 39.8 | Very low | 41.6 | Very low | 82 Ų | 82 | 105.7 Ų | 105.7 | 85% | 0.845 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121 | -8.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A768 | A768-G770 PolarHBondContact O-N 2.67Š|
| 771 | S | 35.5 | Very low | 41.5 | Very low | 76 Ų | 76 | 102.1 Ų | 102.1 | 53% | 0.531 | 65% | 0.648 | S | S | . | * | trans | -82.5 | 120.5 | 172.2 | 48.8 | 0 | 0 | 0 | 0 | 111.1 | A768 | A768-S771 PolarHBondContact O-N 2.89Å; A768-S771 PolarHBondContact O-OG 3.12Å | ||
| 772 | T | 35.3 | Very low | 41.2 | Very low | 124 Ų | 124 | 102.8 Ų | 102.8 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | trans | -57.1 | 144.8 | 175.6 | 42.2 | 0 | 0 | 0 | 0 | 111.3 | S774 | T772-S774 VanDerWaalsContact C-N 3.29Å; T772-S774 PolarHBondContact O-N 3.26Å | ||
| 773 | P | 33.4 | Very low | 40.8 | Very low | 135 Ų | 135 | 105.7 Ų | 105.7 | 88% | 0.877 | 66% | 0.659 | S | S | * | * | trans | -73.3 | 77.9 | -170.2 | 31.4 | -35.4 | 0 | 0 | 0 | 111.4 | ||||
| 774 | S | 38.1 | Very low | 40.6 | Very low | 104 Ų | 104 | 98.8 Ų | 98.8 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | trans | -70.1 | 147.7 | 150 | 68.4 | 0 | 0 | 0 | 0 | 107.4 | T772 G776 | T772-S774 VanDerWaalsContact C-N 3.29Å; T772-S774 PolarHBondContact O-N 3.26Å; S774-G776 PolarHBondContact O-N 2.02Å | ||
| 775 | S | 33.6 | Very low | 40 | Very low | 122 Ų | 122 | 101.2 Ų | 101.2 | 85% | 0.853 | 67% | 0.666 | S | S | * | * | trans | -64.9 | 56.5 | -170.5 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | V777 | S775-V777 PolarHBondContact O-N 3.46Š| ||
| 776 | G | 33.8 | Very low | 39.3 | Very low | 56 Ų | 56 | 100.7 Ų | 100.7 | 58% | 0.577 | 68% | 0.68 | S | S | * | * | trans | -63.2 | 104.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S774 V778 | S774-G776 PolarHBondContact O-N 2.02Å; G776-V778 PolarHBondContact O-N 3.32Å | ||
| 777 | V | 34.6 | Very low | 38.8 | Very low | 130 Ų | 130 | 97.8 Ų | 97.8 | 79% | 0.788 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 123.2 | 165.4 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | S775 V779 | S775-V777 PolarHBondContact O-N 3.46Å; V777-V779 PolarHBondContact O-N 2.92Å |
| 778 | V | 39.8 | Very low | 38.2 | Very low | 77 Ų | 77 | 101.3 Ų | 101.3 | 47% | 0.467 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -76.7 | 117.9 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | V756 P764 G776 | V756-V778 HydrophobicContact CG1-CG1 4.47Å; P764-V778 HydrophobicContact CB-CG1 3.27Å; P764-V778 HydrophobicContact CG-CG1 4.3Å; G776-V778 PolarHBondContact O-N 3.32Å |
| 779 | V | 43.6 | Very low | 37.5 | Very low | 100 Ų | 100 | 104.6 Ų | 104.6 | 61% | 0.606 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 136.2 | -178.3 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | V777 | V777-V779 PolarHBondContact O-N 2.92Š|
| 780 | C | 41.2 | Very low | 37 | Very low | 31 Ų | 31 | 103.3 Ų | 103.3 | 21% | 0.209 | 68% | 0.682 | C | S | . | * | P | Polyproline II helix | trans | -87.5 | 124.6 | 173.5 | -58 | 0 | 0 | 0 | 0 | 109.8 | V756 C757 T782 | V756-C780 VanDerWaalsContact C-SG 3.58Å; V756-C780 PolarHBondContact O-SG 3.5Å; C757-C780 WeakPolarHBondContact CA-SG 3.22Å; C757-C780 HydrophobicContact CB-CB 3.86Å; C757-C780 WeakPolarHBondContact CB-SG 3.27Å; C757-C780 WeakPolarHBondContact SG-CB 3.5Å; C757-C780 CovalentContact SG-SG 2.04Å; C757-C780 PolarHBondContact SG-SG 2.92Å; C780-T782 PolarHBondContact O-N 2.78Å |
| 781 | P | 48.9 | Very low | 36.3 | Very low | 60 Ų | 60 | 104.6 Ų | 104.6 | 39% | 0.39 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 124.5 | 178.8 | 24.3 | -30.7 | 0 | 0 | 0 | 110.9 | Q762 I765 | Q762-P781 PolarHBondContact NE2-O 2.95Å; I765-P781 HydrophobicContact CD1-CB 4.32Å; I765-P781 HydrophobicContact CD1-CG 4.11Å; I765-P781 HydrophobicContact CG1-CG 4.38Å |
| 782 | T | 44.2 | Very low | 35.7 | Very low | 98 Ų | 98 | 107.3 Ų | 107.3 | 60% | 0.601 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 140.3 | 169.6 | 42.6 | 0 | 0 | 0 | 0 | 110.5 | C780 G784 | C780-T782 PolarHBondContact O-N 2.78Å; T782-G784 PolarHBondContact O-N 2.74Å |
| 783 | P | 44.8 | Very low | 35.2 | Very low | 122 Ų | 122 | 106.4 Ų | 106.4 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 128.4 | -178.1 | 24.4 | -28.3 | 0 | 0 | 0 | 110.7 | ||
| 784 | G | 42.7 | Very low | 34.8 | Very low | 77 Ų | 77 | 106.9 Ų | 106.9 | 79% | 0.794 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.6 | -11.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | T782 | T782-G784 PolarHBondContact O-N 2.74Š|
| 785 | N | 36.2 | Very low | 34.3 | Very low | 114 Ų | 114 | 106.4 Ų | 106.4 | 61% | 0.61 | 68% | 0.68 | S | S | * | * | trans | -126.4 | 104 | -174.5 | -91.1 | -0.7 | 0 | 0 | 0 | 112.3 | I787 | N785-I787 HydrophobicContact CB-CD1 3.71Å; N785-I787 HydrophobicContact CB-CG1 3.91Å; N785-I787 PolarHBondContact O-N 2.98Å | ||
| 786 | A | 33.4 | Very low | 33.9 | Very low | 110 Ų | 110 | 108.3 Ų | 108.3 | 91% | 0.909 | 68% | 0.68 | S | S | * | * | trans | -71 | 67.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 787 | I | 32.1 | Very low | 33.7 | Very low | 125 Ų | 125 | 111.1 Ų | 111.1 | 64% | 0.641 | 69% | 0.688 | S | S | * | * | trans | -91.1 | 112 | 179.4 | -65.8 | 165.9 | 0 | 0 | 0 | 108.7 | N785 V789 | N785-I787 HydrophobicContact CB-CD1 3.71Å; N785-I787 HydrophobicContact CB-CG1 3.91Å; N785-I787 PolarHBondContact O-N 2.98Å; I787-V789 PolarHBondContact O-N 2.86Å | ||
| 788 | Q | 29.8 | Very low | 33.4 | Very low | 175 Ų | 175 | 111.4 Ų | 111.4 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -53.7 | 125.9 | 164 | -75.8 | 175.2 | -16.2 | 0 | 0 | 109.2 | V790 | Q788-V790 PolarHBondContact O-N 2.91Š| ||
| 789 | V | 28.3 | Very low | 32.8 | Very low | 138 Ų | 138 | 111.4 Ų | 111.4 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | trans | -65.2 | 98.8 | 178.5 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | I787 | I787-V789 PolarHBondContact O-N 2.86Š| ||
| 790 | V | 28.1 | Very low | 31.8 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | trans | -85.9 | 123.4 | 165.5 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | Q788 V792 | Q788-V790 PolarHBondContact O-N 2.91Å; V790-V792 PolarHBondContact O-N 3.44Å; V790-V792 VanDerWaalsContact O-N 3.16Å | ||
| 791 | P | 24.5 | Very low | 31.1 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | trans | -63.4 | 117.8 | 178.8 | 24.5 | -30.6 | 0 | 0 | 0 | 109 | P793 | P791-P793 WeakPolarHBondContact O-CD 3.45Š| ||
| 792 | V | 23.5 | Very low | 29.9 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -72.2 | 114.5 | 178 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | V790 | V790-V792 PolarHBondContact O-N 3.44Å; V790-V792 VanDerWaalsContact O-N 3.16Å | ||
| 793 | P | 25.2 | Very low | 28.9 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | trans | -69.1 | 138.2 | 166.9 | -7.8 | 26 | 0 | 0 | 0 | 107.6 | P791 P795 | P791-P793 WeakPolarHBondContact O-CD 3.45Å; P793-P795 WeakPolarHBondContact O-CD 3.4Å | ||
| 794 | T | 25.1 | Very low | 28 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -76.9 | 108.9 | 175.7 | -26.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 795 | P | 27.2 | Very low | 27.3 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | trans | -140.4 | 119.7 | 139.6 | 36.8 | -22.9 | 0 | 0 | 0 | 111 | P793 | P793-P795 WeakPolarHBondContact O-CD 3.4Š| ||
| 796 | L | 25.7 | Very low | 26.9 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -118.1 | 83.6 | 157.2 | -81.2 | 169.2 | 0 | 0 | 0 | 108.8 | V798 | L796-V798 PolarHBondContact O-N 2.88Š| ||
| 797 | P | 29.6 | Very low | 26.8 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -77.9 | 103.3 | 155.4 | 30.7 | -25.1 | 0 | 0 | 0 | 107.5 | A799 | P797-A799 PolarHBondContact O-N 3.31Š| ||
| 798 | V | 27.3 | Very low | 26.7 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -95.2 | 87.1 | 167 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | L796 | L796-V798 PolarHBondContact O-N 2.88Š| ||
| 799 | A | 27.2 | Very low | 26.7 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 63% | 0.628 | 76% | 0.763 | S | S | * | * | trans | -172.8 | 90.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | P797 Y801 | P797-A799 PolarHBondContact O-N 3.31Å; A799-Y801 PolarHBondContact O-N 2.77Å | ||
| 800 | E | 22.8 | Very low | 27.1 | Very low | 195 Ų | 195 | 126.2 Ų | 126.2 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | trans | -50.8 | 121.4 | 157.7 | -79 | 170.4 | 137.9 | 0 | 0 | 108.6 | ||||
| 801 | Y | 26.7 | Very low | 27.5 | Very low | 212 Ų | 212 | 129.1 Ų | 129.1 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | trans | -128.3 | 135.2 | 146.6 | -90.7 | -85.1 | 0 | 0 | 0 | 107.6 | A799 | A799-Y801 PolarHBondContact O-N 2.77Š| ||
| 802 | P | 23.6 | Very low | 28.7 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -64.8 | 140.6 | -173.8 | 11.4 | -5.1 | 0 | 0 | 0 | 109.5 | S804 | P802-S804 VanDerWaalsContact C-N 3.27Å; P802-S804 PolarHBondContact O-N 2.82Å | ||
| 803 | S | 24.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -50.8 | 92.6 | 165.3 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | S805 | S803-S805 PolarHBondContact O-N 2.95Š| ||
| 804 | S | 25 | Very low | 31.7 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | -69.2 | 130.3 | 158.9 | 34.1 | 0 | 0 | 0 | 0 | 105.8 | P802 | P802-S804 VanDerWaalsContact C-N 3.27Å; P802-S804 PolarHBondContact O-N 2.82Å | ||
| 805 | S | 27.3 | Very low | 33.3 | Very low | 81 Ų | 81 | 117.1 Ų | 117.1 | 57% | 0.566 | 68% | 0.676 | S | S | * | * | trans | -47.6 | 152 | -179.2 | 58 | 0 | 0 | 0 | 0 | 111.4 | S803 E807 | S803-S805 PolarHBondContact O-N 2.95Å; S805-E807 PolarHBondContact O-N 2.9Å | ||
| 806 | I | 28.7 | Very low | 34.8 | Very low | 167 Ų | 167 | 120.8 Ų | 120.8 | 86% | 0.856 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 10.2 | 176.7 | -88 | 154.5 | 0 | 0 | 0 | 114.6 | ||
| 807 | E | 30.2 | Very low | 36.5 | Very low | 171 Ų | 171 | 115.3 Ų | 115.3 | 80% | 0.799 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -4.2 | -173.1 | -68.2 | -174.9 | 152.6 | 0 | 0 | 115.2 | S805 V809 | S805-E807 PolarHBondContact O-N 2.9Å; E807-V809 PolarHBondContact O-N 3.4Å; E807-V809 VanDerWaalsContact O-N 3.1Å |
| 808 | A | 29.8 | Very low | 37.8 | Very low | 83 Ų | 83 | 112.1 Ų | 112.1 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | trans | -85.1 | 68.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S810 | A808-S810 PolarHBondContact O-N 2.92Š| ||
| 809 | V | 30.1 | Very low | 39 | Very low | 125 Ų | 125 | 115.3 Ų | 115.3 | 76% | 0.758 | 64% | 0.643 | S | S | * | * | trans | -69.6 | 53.8 | 161.6 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | E807 M811 | E807-V809 PolarHBondContact O-N 3.4Å; E807-V809 VanDerWaalsContact O-N 3.1Å; V809-M811 PolarHBondContact O-N 3.16Å | ||
| 810 | S | 37.5 | Very low | 40 | Very low | 86 Ų | 86 | 115.9 Ų | 115.9 | 60% | 0.601 | 63% | 0.63 | S | S | * | * | trans | -68.4 | 111.2 | 157.8 | 61.3 | 0 | 0 | 0 | 0 | 104.5 | A808 V812 | A808-S810 PolarHBondContact O-N 2.92Å; S810-V812 PolarHBondContact O-N 2.04Å | ||
| 811 | M | 37.4 | Very low | 41.1 | Very low | 174 Ų | 174 | 111.8 Ų | 111.8 | 86% | 0.857 | 61% | 0.614 | S | S | * | * | trans | -41.4 | 106.3 | 172.4 | -80.5 | 178.3 | 168.1 | 0 | 0 | 109.2 | V809 I813 | V809-M811 PolarHBondContact O-N 3.16Å; M811-I813 VanDerWaalsContact C-N 3.35Å; M811-I813 PolarHBondContact O-N 2.99Å | ||
| 812 | V | 49.3 | Very low | 42 | Very low | 94 Ų | 94 | 107.9 Ų | 107.9 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | trans | -74 | 99 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 105.1 | S810 L814 | S810-V812 PolarHBondContact O-N 2.04Å; V812-L814 HydrophobicContact CG1-CD2 3.91Å; V812-L814 HydrophobicContact CG1-CG 4.13Å; V812-L814 PolarHBondContact O-N 3.43Å; V812-L814 VanDerWaalsContact O-N 3.08Å | ||
| 813 | I | 53.7 | Low | 43.1 | Very low | 76 Ų | 76 | 107.1 Ų | 107.1 | 39% | 0.39 | 60% | 0.602 | S | S | . | * | trans | -69.2 | 106.8 | 176.9 | -57.7 | 175.3 | 0 | 0 | 0 | 107 | M811 I925 | M811-I813 VanDerWaalsContact C-N 3.35Å; M811-I813 PolarHBondContact O-N 2.99Å; I813-I925 HydrophobicContact CG2-CB 4.32Å; I813-I925 HydrophobicContact CG2-CG2 3.83Å | ||
| 814 | L | 56.4 | Low | 43.8 | Very low | 62 Ų | 62 | 106.3 Ų | 106.3 | 33% | 0.325 | 59% | 0.588 | S | S | . | * | trans | -95.4 | 146.7 | 179.6 | -68.9 | 164.9 | 0 | 0 | 0 | 111.1 | V812 L816 L977 N978 | V812-L814 HydrophobicContact CG1-CD2 3.91Å; V812-L814 HydrophobicContact CG1-CG 4.13Å; V812-L814 PolarHBondContact O-N 3.43Å; V812-L814 VanDerWaalsContact O-N 3.08Å; L814-L816 PolarHBondContact O-N 3.02Å; L814-L977 HydrophobicContact CB-CD2 3.75Å; L814-L977 HydrophobicContact CD1-CD2 4.11Å; L814-L977 HydrophobicContact CD2-CD2 4.01Å; L814-L977 HydrophobicContact CG-CD2 4.14Å; L814-N978 WeakPolarHBondContact CD1-OD1 3.13Å; L814-N978 HydrophobicContact CD2-CB 4.45Å; L814-N978 WeakPolarHBondContact CD2-OD1 3.43Å | ||
| 815 | P | 58.9 | Low | 44.6 | Very low | 8 Ų | 8 | 112 Ų | 112 | 5% | 0.052 | 59% | 0.592 | C | S | . | * | trans | -66.1 | 133.5 | 174.3 | 26.9 | -30.7 | 0 | 0 | 0 | 109.8 | L817 Y918 I925 | P815-L817 PolarHBondContact O-N 2.89Å; P815-Y918 HydrophobicContact CB-CD1 4.45Å; P815-Y918 HydrophobicContact CB-CE1 3.76Å; P815-I925 HydrophobicContact CB-CG2 4.27Å | ||
| 816 | L | 60.1 | Low | 45.2 | Very low | 171 Ų | 171 | 111.5 Ų | 111.5 | 90% | 0.895 | 59% | 0.586 | S | S | * | * | trans | -70.2 | 108.5 | 170.1 | -81.2 | 149.7 | 0 | 0 | 0 | 108.8 | L814 | L814-L816 PolarHBondContact O-N 3.02Š| ||
| 817 | L | 59.8 | Low | 46.2 | Very low | 48 Ų | 48 | 106.2 Ų | 106.2 | 25% | 0.251 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 132.3 | 168.7 | -69.6 | 177.5 | 0 | 0 | 0 | 109 | P815 K819 Y963 V974 L977 | P815-L817 PolarHBondContact O-N 2.89Å; L817-K819 PolarHBondContact O-N 2.82Å; L817-Y963 HydrophobicContact CD2-CE1 4.35Å; L817-V974 HydrophobicContact CD1-CG2 3.9Å; L817-L977 HydrophobicContact CD1-CD1 3.36Å; L817-L977 HydrophobicContact CD2-CD1 4.31Å; L817-L977 HydrophobicContact CG-CD1 3.73Å |
| 818 | P | 58.4 | Low | 47.3 | Very low | 48 Ų | 48 | 99.3 Ų | 99.3 | 31% | 0.312 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 130.4 | 177.7 | -25.1 | 32.5 | 0 | 0 | 0 | 111.4 | R970 | P818-R970 PolarHBondContact O-NH2 3.06Š|
| 819 | K | 52 | Low | 48.7 | Very low | 203 Ų | 203 | 100.1 Ų | 100.1 | 88% | 0.883 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 137.1 | 172.2 | -75.1 | -173.3 | 178.4 | -178 | 0 | 109.3 | L817 D821 | L817-K819 PolarHBondContact O-N 2.82Å; K819-D821 PolarHBondContact O-N 2.78Å |
| 820 | Y | 48.9 | Very low | 50.3 | Low | 87 Ų | 87 | 95.1 Ų | 95.1 | 34% | 0.341 | 49% | 0.493 | S | S | . | . | trans | -91 | 101.5 | -176 | -165.5 | -109.4 | 0 | 0 | 0 | 109.7 | M822 I827 M1047 | Y820-M822 HydrophobicContact CD1-CG 3.68Å; Y820-M822 HydrophobicContact CD1-SD 4.28Å; Y820-M822 HydrophobicContact CE1-CG 3.65Å; Y820-M822 HydrophobicContact CE1-SD 3.63Å; Y820-M822 PolarHBondContact O-N 3.3Å; Y820-I827 WeakPolarHBondContact OH-CG2 3.4Å; Y820-M1047 HydrophobicContact CD2-CE 4.28Å; Y820-M1047 HydrophobicContact CE2-CE 3.4Å; Y820-M1047 VanDerWaalsContact CE2-CE 3.4Å; Y820-M1047 HydrophobicContact CE2-SD 3.99Å | ||
| 821 | D | 45.5 | Very low | 51.6 | Low | 109 Ų | 109 | 92.9 Ų | 92.9 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | trans | -84.7 | 102.3 | 177.9 | -173 | 9.5 | 0 | 0 | 0 | 110.7 | K819 S823 | K819-D821 PolarHBondContact O-N 2.78Å; D821-S823 VanDerWaalsContact C-N 3.28Å; D821-S823 WeakPolarHBondContact OD1-CB 3.42Å; D821-S823 PolarHBondContact OD1-N 3.4Å; D821-S823 PolarHBondContact OD1-OG 2.92Å; D821-S823 PolarHBondContact OD2-OG 3.27Å | ||
| 822 | M | 45.4 | Very low | 53.1 | Low | 130 Ų | 130 | 85.7 Ų | 85.7 | 64% | 0.64 | 44% | 0.437 | S | S | * | . | trans | -79.5 | -7.4 | 173.9 | -79.9 | -90.8 | -64.5 | 0 | 0 | 113.1 | Y820 N824 I827 | Y820-M822 HydrophobicContact CD1-CG 3.68Å; Y820-M822 HydrophobicContact CD1-SD 4.28Å; Y820-M822 HydrophobicContact CE1-CG 3.65Å; Y820-M822 HydrophobicContact CE1-SD 3.63Å; Y820-M822 PolarHBondContact O-N 3.3Å; M822-N824 PolarHBondContact O-N 3.49Å; M822-I827 HydrophobicContact SD-CD1 4.47Å | ||
| 823 | S | 46 | Very low | 54 | Low | 93 Ų | 93 | 81.7 Ų | 81.7 | 65% | 0.65 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -64.7 | -31.7 | -173.8 | 70.1 | 0 | 0 | 0 | 0 | 112 | D821 R825 | D821-S823 VanDerWaalsContact C-N 3.28Å; D821-S823 WeakPolarHBondContact OD1-CB 3.42Å; D821-S823 PolarHBondContact OD1-N 3.4Å; D821-S823 PolarHBondContact OD1-OG 2.92Å; D821-S823 PolarHBondContact OD2-OG 3.27Å; S823-R825 PolarHBondContact O-N 2.92Å |
| 824 | N | 38.4 | Very low | 54.4 | Low | 103 Ų | 103 | 81.7 Ų | 81.7 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -84.3 | 107.4 | 178 | -132.6 | -11.5 | 0 | 0 | 0 | 110.2 | M822 T826 I827 | M822-N824 PolarHBondContact O-N 3.49Å; N824-T826 CarbonylContact O-C 3.31Å; N824-T826 PolarHBondContact O-N 3.34Å; N824-I827 PolarHBondContact O-N 3.31Å |
| 825 | R | 43.4 | Very low | 54.5 | Low | 232 Ų | 232 | 79.7 Ų | 79.7 | 88% | 0.875 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -56 | -15.7 | 178.5 | -72 | -173.5 | 175.7 | -167.1 | -1.5 | 113.8 | S823 | S823-R825 PolarHBondContact O-N 2.92Š|
| 826 | T | 39.6 | Very low | 54.1 | Low | 71 Ų | 71 | 85.1 Ų | 85.1 | 44% | 0.436 | 42% | 0.422 | S | S | . | . | trans | -98.4 | 80.9 | 168.8 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | N824 A828 | N824-T826 CarbonylContact O-C 3.31Å; N824-T826 PolarHBondContact O-N 3.34Å; T826-A828 VanDerWaalsContact C-N 3.26Å; T826-A828 PolarHBondContact O-N 3.01Å | ||
| 827 | I | 50.1 | Low | 53.3 | Low | 56 Ų | 56 | 82.6 Ų | 82.6 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | trans | -58.8 | -37 | -176.6 | -65 | 170.5 | 0 | 0 | 0 | 112.1 | Y820 M822 N824 H1045 | Y820-I827 WeakPolarHBondContact OH-CG2 3.4Å; M822-I827 HydrophobicContact SD-CD1 4.47Å; N824-I827 PolarHBondContact O-N 3.31Å; I827-H1045 PolarHBondContact O-CE1 3.22Å; I827-H1045 VanDerWaalsContact O-CE1 3.27Å | ||
| 828 | A | 52.4 | Low | 52.3 | Low | 26 Ų | 26 | 87.5 Ų | 87.5 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | trans | -167 | 157.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | T826 H830 | T826-A828 VanDerWaalsContact C-N 3.26Å; T826-A828 PolarHBondContact O-N 3.01Å; A828-H830 VanDerWaalsContact C-N 3.31Å | ||
| 829 | D | 58.5 | Low | 51 | Low | 100 Ų | 100 | 91.2 Ų | 91.2 | 54% | 0.535 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -92.1 | 9.9 | 169.8 | 70 | -32.7 | 0 | 0 | 0 | 112.8 | ||
| 830 | H | 64 | Low | 50.1 | Low | 21 Ų | 21 | 83.8 Ų | 83.8 | 10% | 0.097 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -138.2 | 167 | -174.3 | 57.5 | -94.1 | 0 | 0 | 0 | 112.8 | A828 H832 C1043 I1083 | A828-H830 VanDerWaalsContact C-N 3.31Å; H830-H832 AromaticContact CD2-CD2 3.8Å; H830-H832 AromaticContact CD2-NE2 3.8Å; H830-H832 AromaticContact NE2-NE2 3.61Å; H830-C1043 WeakPolarHBondContact NE2-CB 3.46Å; H830-I1083 HydrophobicContact CB-CB 4.48Å; H830-I1083 HydrophobicContact CB-CD1 3.75Å; H830-I1083 HydrophobicContact CB-CG1 3.83Å; H830-I1083 HydrophobicContact CB-CG2 3.94Å |
| 831 | E | 64.7 | Low | 49.2 | Very low | 39 Ų | 39 | 82 Ų | 82 | 18% | 0.182 | 43% | 0.432 | C | S | . | . | trans | -90.9 | 130.6 | -171.4 | -169.2 | -164.7 | 134.2 | 0 | 0 | 112.4 | S843 V1049 R1050 | E831-S843 VanDerWaalsContact CD-CB 3.4Å; E831-S843 WeakPolarHBondContact OE1-CB 3.29Å; E831-V1049 WeakPolarHBondContact O-CB 3.02Å; E831-R1050 IonicContact OE1-CZ 2.82Å; E831-R1050 IonicContact OE1-NE 3.75Å; E831-R1050 IonicContact OE1-NH2 3.71Å; E831-R1050 PolarHBondContact OE1-NH2 2.9Å | ||
| 832 | H | 69.1 | Low | 48.6 | Very low | 23 Ų | 23 | 81.7 Ų | 81.7 | 11% | 0.106 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -95.7 | 145.9 | 174.8 | -60.1 | 170 | 0 | 0 | 0 | 112 | H830 M1047 V1049 | H830-H832 AromaticContact CD2-CD2 3.8Å; H830-H832 AromaticContact CD2-NE2 3.8Å; H830-H832 AromaticContact NE2-NE2 3.61Å; H832-M1047 WeakPolarHBondContact CE1-CE 3.21Å; H832-M1047 WeakPolarHBondContact ND1-CE 3.1Å; H832-V1049 VanDerWaalsContact CD2-CG1 3.48Å; H832-V1049 WeakPolarHBondContact CD2-CG1 3.23Å |
| 833 | I | 68.1 | Low | 47.9 | Very low | 10 Ų | 10 | 77.4 Ų | 77.4 | 5% | 0.051 | 41% | 0.41 | C | S | . | . | trans | -87.7 | 112.7 | 171.1 | -47.9 | 176 | 0 | 0 | 0 | 108.3 | V835 A912 P1048 R1050 | I833-V835 PolarHBondContact O-N 3.27Å; I833-A912 HydrophobicContact CD1-CB 4.21Å; I833-A912 HydrophobicContact CG2-CB 4.15Å; I833-P1048 HydrophobicContact CB-CB 4.29Å; I833-P1048 HydrophobicContact CB-CG 4.29Å; I833-P1048 HydrophobicContact CD1-CB 4.31Å; I833-P1048 PolarHBondContact N-O 2.74Å; I833-R1050 HydrophobicContact CD1-CG 3.48Å; I833-R1050 VanDerWaalsContact CD1-CG 3.48Å; I833-R1050 HydrophobicContact CG1-CG 3.75Å | ||
| 834 | L | 61.9 | Low | 47 | Very low | 75 Ų | 75 | 75.9 Ų | 75.9 | 39% | 0.393 | 40% | 0.403 | S | S | . | . | trans | -82.2 | 115.6 | 174.4 | -64.2 | 176.3 | 0 | 0 | 0 | 110.4 | ||||
| 835 | V | 58.9 | Low | 46.4 | Very low | 21 Ų | 21 | 75.5 Ų | 75.5 | 13% | 0.127 | 40% | 0.4 | C | S | . | . | trans | -91.5 | 99 | 169.4 | -172.4 | 0 | 0 | 0 | 0 | 107.2 | I833 A912 P969 | I833-V835 PolarHBondContact O-N 3.27Å; V835-A912 HydrophobicContact CG2-CB 3.99Å; V835-P969 HydrophobicContact CG1-CG 4.29Å | ||
| 836 | R | 50.9 | Low | 45.5 | Very low | 122 Ų | 122 | 67.6 Ų | 67.6 | 46% | 0.46 | 38% | 0.384 | S | S | . | . | trans | -90.9 | 152.2 | 174.2 | -64.3 | 179.6 | 172.9 | 153.4 | -0.7 | 109.8 | N838 I839 E842 | R836-N838 PolarHBondContact O-N 2.91Å; R836-N838 VanDerWaalsContact O-N 3.14Å; R836-I839 WeakPolarHBondContact CB-O 3.33Å; R836-E842 IonicContact NH1-OE2 3.83Å; R836-E842 PolarHBondContact NH1-OE2 3.36Å | ||
| 837 | D | 44.2 | Very low | 44.8 | Very low | 117 Ų | 117 | 72.8 Ų | 72.8 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -56.5 | -31 | -177.2 | -67.9 | -50 | 0 | 0 | 0 | 114.1 | P969 | D837-P969 VanDerWaalsContact OD1-CG 3.29Å; D837-P969 WeakPolarHBondContact OD1-CG 3.44Å |
| 838 | N | 37.8 | Very low | 43.5 | Very low | 152 Ų | 152 | 71.9 Ų | 71.9 | 81% | 0.813 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -134.6 | -5.7 | -173.4 | -76.9 | -36 | 0 | 0 | 0 | 116.7 | R836 | R836-N838 PolarHBondContact O-N 2.91Å; R836-N838 VanDerWaalsContact O-N 3.14Å |
| 839 | I | 30.6 | Very low | 42 | Very low | 126 Ų | 126 | 80 Ų | 80 | 65% | 0.646 | 44% | 0.438 | S | S | * | . | trans | -153.6 | 104.7 | -177.8 | -52.3 | 177.7 | 0 | 0 | 0 | 110.4 | R836 | R836-I839 WeakPolarHBondContact CB-O 3.33Š| ||
| 840 | V | 32.6 | Very low | 40.4 | Very low | 47 Ų | 47 | 79.9 Ų | 79.9 | 29% | 0.285 | 44% | 0.441 | S | S | . | . | trans | -89.8 | 121.6 | 172 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 841 | G | 31.6 | Very low | 38.4 | Very low | 50 Ų | 50 | 83.7 Ų | 83.7 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | trans | 150.3 | 72 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 842 | E | 31.5 | Very low | 36.4 | Very low | 102 Ų | 102 | 85.2 Ų | 85.2 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | trans | -163.7 | 121 | 159.9 | -107 | 157.2 | -158.9 | 0 | 0 | 108.8 | R836 | R836-E842 IonicContact NH1-OE2 3.83Å; R836-E842 PolarHBondContact NH1-OE2 3.36Å | ||
| 843 | S | 30.7 | Very low | 34.2 | Very low | 39 Ų | 39 | 89.4 Ų | 89.4 | 27% | 0.273 | 52% | 0.522 | S | S | . | . | trans | -84.7 | 131.3 | 176.8 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | E831 | E831-S843 VanDerWaalsContact CD-CB 3.4Å; E831-S843 WeakPolarHBondContact OE1-CB 3.29Å | ||
| 844 | A | 27.9 | Very low | 32 | Very low | 61 Ų | 61 | 96.8 Ų | 96.8 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | trans | -100.9 | 125.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 845 | I | 25.4 | Very low | 30.1 | Very low | 96 Ų | 96 | 100.4 Ų | 100.4 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | trans | -104 | 128.2 | 166.6 | -56.1 | 175.1 | 0 | 0 | 0 | 106.8 | K847 | I845-K847 PolarHBondContact O-N 2.78Š| ||
| 846 | A | 25.4 | Very low | 28.4 | Very low | 65 Ų | 65 | 107.6 Ų | 107.6 | 54% | 0.537 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.2 | 3.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 847 | K | 24.6 | Very low | 27 | Very low | 181 Ų | 181 | 104.6 Ų | 104.6 | 79% | 0.787 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.8 | 14.2 | -179 | -79.8 | -167.4 | 176.1 | 173.7 | 0 | 116.3 | I845 | I845-K847 PolarHBondContact O-N 2.78Š|
| 848 | G | 22.6 | Very low | 26 | Very low | 36 Ų | 36 | 104.6 Ų | 104.6 | 37% | 0.371 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -147.3 | 131.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | T850 | G848-T850 PolarHBondContact O-N 3.41Š|
| 849 | H | 21.3 | Very low | 25.3 | Very low | 197 Ų | 197 | 100.5 Ų | 100.5 | 91% | 0.912 | 63% | 0.633 | S | S | * | * | trans | -40 | 123.1 | 177.7 | -66.4 | -46 | 0 | 0 | 0 | 112.6 | A851 | H849-A851 PolarHBondContact O-N 3.03Š| ||
| 850 | T | 23.6 | Very low | 24.9 | Very low | 97 Ų | 97 | 103 Ų | 103 | 60% | 0.595 | 65% | 0.647 | S | S | * | * | trans | -63.2 | 122 | 167.8 | 39.9 | 0 | 0 | 0 | 0 | 108.8 | G848 S852 | G848-T850 PolarHBondContact O-N 3.41Å; T850-S852 PolarHBondContact O-N 3.14Å | ||
| 851 | A | 22.8 | Very low | 24.5 | Very low | 101 Ų | 101 | 105.1 Ų | 105.1 | 84% | 0.835 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -76.3 | 71.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | H849 | H849-A851 PolarHBondContact O-N 3.03Š|
| 852 | S | 22.7 | Very low | 23.9 | Very low | 72 Ų | 72 | 111.5 Ų | 111.5 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | trans | -178.2 | 153.3 | 157.1 | -168.3 | 0 | 0 | 0 | 0 | 109.3 | T850 | T850-S852 PolarHBondContact O-N 3.14Š| ||
| 853 | C | 23.5 | Very low | 23.6 | Very low | 111 Ų | 111 | 114.4 Ų | 114.4 | 75% | 0.75 | 70% | 0.696 | S | S | * | * | trans | 79.1 | 78.1 | -173.2 | -56 | 0 | 0 | 0 | 0 | 115 | I855 | C853-I855 PolarHBondContact O-N 3.29Å; C853-I855 VanDerWaalsContact O-N 3.11Å | ||
| 854 | D | 20.6 | Very low | 23.1 | Very low | 164 Ų | 164 | 117.6 Ų | 117.6 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | trans | -52.9 | 111.4 | 155.3 | -79.1 | -39.3 | 0 | 0 | 0 | 110.2 | ||||
| 855 | I | 22.7 | Very low | 22.8 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | 23.5 | 102.4 | 142.9 | -51.4 | 179.6 | 0 | 0 | 0 | 116.1 | C853 G857 | C853-I855 PolarHBondContact O-N 3.29Å; C853-I855 VanDerWaalsContact O-N 3.11Å; I855-G857 PolarHBondContact O-N 3.31Å | ||
| 856 | I | 23.4 | Very low | 22.6 | Very low | 171 Ų | 171 | 125.2 Ų | 125.2 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -56.6 | 130.8 | 151.6 | -64.7 | 169.3 | 0 | 0 | 0 | 107.9 | ||||
| 857 | G | 22.1 | Very low | 22.6 | Very low | 60 Ų | 60 | 127.9 Ų | 127.9 | 62% | 0.619 | 76% | 0.761 | S | S | * | * | trans | -55.5 | 161.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117 | I855 G859 | I855-G857 PolarHBondContact O-N 3.31Å; G857-G859 PolarHBondContact O-N 3.12Å | ||
| 858 | A | 22.4 | Very low | 22.5 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 96% | 0.959 | 76% | 0.761 | S | S | * | * | trans | -44.9 | 113.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 859 | G | 23.2 | Very low | 22.4 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -157.8 | 106.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | G857 S861 | G857-G859 PolarHBondContact O-N 3.12Å; G859-S861 PolarHBondContact O-N 3.45Å; G859-S861 VanDerWaalsContact O-N 3.08Å | ||
| 860 | N | 23 | Very low | 22.5 | Very low | 177 Ų | 177 | 127 Ų | 127 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | trans | -49.9 | 110.3 | -178.1 | -65 | -27.8 | 0 | 0 | 0 | 112 | ||||
| 861 | S | 23.3 | Very low | 22.4 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -157 | 105.5 | 157.3 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | G859 H863 | G859-S861 PolarHBondContact O-N 3.45Å; G859-S861 VanDerWaalsContact O-N 3.08Å; S861-H863 PolarHBondContact O-N 3.27Å; S861-H863 PolarHBondContact OG-CD2 3.31Å | ||
| 862 | M | 19.9 | Very low | 22.4 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -73.4 | 109.4 | 164.8 | -73.1 | -179.7 | 68 | 0 | 0 | 108.6 | ||||
| 863 | H | 23.5 | Very low | 22.3 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -126.1 | 106.3 | 156.2 | -80.8 | -61.5 | 0 | 0 | 0 | 110.4 | S861 L865 | S861-H863 PolarHBondContact O-N 3.27Å; S861-H863 PolarHBondContact OG-CD2 3.31Å; H863-L865 PolarHBondContact O-N 3.11Å | ||
| 864 | S | 21.2 | Very low | 22.2 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -63.8 | 102.1 | 171.4 | -163 | 0 | 0 | 0 | 0 | 109.4 | L866 | S864-L866 PolarHBondContact O-N 3.29Š| ||
| 865 | L | 22.4 | Very low | 22.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -93.4 | 82 | 168.7 | -75.2 | 165.1 | 0 | 0 | 0 | 108.5 | H863 | H863-L865 PolarHBondContact O-N 3.11Š| ||
| 866 | L | 20.2 | Very low | 22.4 | Very low | 151 Ų | 151 | 129 Ų | 129 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -94.8 | 113.1 | 164.2 | -79.8 | 160.8 | 0 | 0 | 0 | 108.3 | S864 | S864-L866 PolarHBondContact O-N 3.29Š| ||
| 867 | P | 25.8 | Very low | 22.5 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 122.6 | 165.4 | -9 | 26.6 | 0 | 0 | 0 | 109.6 | ||
| 868 | G | 21.4 | Very low | 22.5 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 161.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 869 | K | 21.3 | Very low | 22.6 | Very low | 212 Ų | 212 | 135.2 Ų | 135.2 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 132.4 | 176.1 | -63.7 | 165.1 | 175.5 | 176.7 | 0 | 111.4 | ||
| 870 | S | 23.4 | Very low | 22.5 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -145.1 | 106.3 | 155.9 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | G872 | S870-G872 PolarHBondContact O-N 3.35Š| ||
| 871 | N | 21.1 | Very low | 22.6 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 92% | 0.92 | 78% | 0.776 | S | S | * | * | trans | -76.8 | 103.6 | 166.7 | -69.8 | -15.2 | 0 | 0 | 0 | 106.1 | ||||
| 872 | G | 23.4 | Very low | 22.5 | Very low | 53 Ų | 53 | 137.3 Ų | 137.3 | 55% | 0.546 | 78% | 0.776 | S | S | . | * | trans | -157.9 | 113.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | S870 I874 | S870-G872 PolarHBondContact O-N 3.35Å; G872-I874 PolarHBondContact O-N 3.48Å; G872-I874 VanDerWaalsContact O-N 3.16Å | ||
| 873 | E | 21 | Very low | 22.7 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -69.3 | 96.6 | 178.6 | -172.6 | 170.2 | -173.2 | 0 | 0 | 109.2 | T875 | E873-T875 PolarHBondContact O-N 3.15Š| ||
| 874 | I | 22.1 | Very low | 22.6 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | -87 | 100.7 | -178.7 | -58.9 | 177.1 | 0 | 0 | 0 | 109.3 | G872 G876 | G872-I874 PolarHBondContact O-N 3.48Å; G872-I874 VanDerWaalsContact O-N 3.16Å; I874-G876 PolarHBondContact O-N 3.47Å; I874-G876 VanDerWaalsContact O-N 3.17Å | ||
| 875 | T | 23.7 | Very low | 22.7 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -71.9 | 98 | 169.7 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | E873 N877 | E873-T875 PolarHBondContact O-N 3.15Å; T875-N877 PolarHBondContact O-N 3.49Å | ||
| 876 | G | 22.9 | Very low | 22.7 | Very low | 65 Ų | 65 | 131.6 Ų | 131.6 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 73.3 | -43 | 136.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | I874 | I874-G876 PolarHBondContact O-N 3.47Å; I874-G876 VanDerWaalsContact O-N 3.17Å |
| 877 | N | 24.7 | Very low | 22.8 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -135.5 | 3.3 | -163.4 | -80.5 | 2.4 | 0 | 0 | 0 | 116.5 | T875 | T875-N877 PolarHBondContact O-N 3.49Š|
| 878 | E | 23 | Very low | 22.6 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | -105.5 | 80 | 173 | -78.8 | 179.8 | 159 | 0 | 0 | 110.3 | D880 | E878-D880 PolarHBondContact O-N 3.35Š| ||
| 879 | I | 23.4 | Very low | 22.6 | Very low | 148 Ų | 148 | 126 Ų | 126 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -86.1 | 94.7 | 155 | -58.4 | 174.9 | 0 | 0 | 0 | 104.6 | N881 | I879-N881 PolarHBondContact O-N 2.95Š| ||
| 880 | D | 22.9 | Very low | 22.6 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | -57 | 123.7 | 167.2 | -163.9 | -18 | 0 | 0 | 0 | 107.8 | E878 T882 | E878-D880 PolarHBondContact O-N 3.35Å; D880-T882 PolarHBondContact O-N 3.02Å; D880-T882 PolarHBondContact OD1-OG1 3.28Å; D880-T882 PolarHBondContact OD2-OG1 3.42Å | ||
| 881 | N | 24.4 | Very low | 22.4 | Very low | 155 Ų | 155 | 125 Ų | 125 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -69.2 | 12 | -175.3 | -79 | -31.8 | 0 | 0 | 0 | 113.2 | I879 I883 | I879-N881 PolarHBondContact O-N 2.95Å; N881-I883 PolarHBondContact O-N 3.06Å |
| 882 | T | 22 | Very low | 22.5 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 64% | 0.644 | 71% | 0.713 | S | S | * | * | trans | -99.7 | 54.2 | -178.8 | 41.5 | 0 | 0 | 0 | 0 | 111.8 | D880 P884 | D880-T882 PolarHBondContact O-N 3.02Å; D880-T882 PolarHBondContact OD1-OG1 3.28Å; D880-T882 PolarHBondContact OD2-OG1 3.42Å; T882-P884 WeakPolarHBondContact O-CD 3.26Å | ||
| 883 | I | 22.8 | Very low | 22.4 | Very low | 140 Ų | 140 | 122 Ų | 122 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -80.1 | 115.6 | 147 | -62.7 | 177.3 | 0 | 0 | 0 | 105.1 | N881 D885 | N881-I883 PolarHBondContact O-N 3.06Å; I883-D885 PolarHBondContact O-N 3Å |
| 884 | P | 22.3 | Very low | 22.4 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | trans | -54.6 | 128.1 | -178.1 | 20.1 | -30 | 0 | 0 | 0 | 109.4 | T882 V886 | T882-P884 WeakPolarHBondContact O-CD 3.26Å; P884-V886 PolarHBondContact O-N 2.82Å | ||
| 885 | D | 22.5 | Very low | 22.5 | Very low | 126 Ų | 126 | 117.8 Ų | 117.8 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | trans | -37.8 | 98.6 | 179.9 | -140.7 | 12.8 | 0 | 0 | 0 | 111.2 | I883 T887 | I883-D885 PolarHBondContact O-N 3Å; D885-T887 WeakPolarHBondContact CB-OG1 3.24Å; D885-T887 PolarHBondContact O-N 2.74Å; D885-T887 WeakPolarHBondContact OD1-CG2 3.41Å; D885-T887 PolarHBondContact OD1-OG1 2.78Å; D885-T887 WeakPolarHBondContact OD2-CB 3.39Å; D885-T887 WeakPolarHBondContact OD2-CG2 3.37Å; D885-T887 PolarHBondContact OD2-OG1 2.65Å | ||
| 886 | V | 23.1 | Very low | 22.4 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 74% | 0.739 | 72% | 0.716 | S | S | * | * | trans | -78.7 | 48.2 | 158.6 | -164.8 | 0 | 0 | 0 | 0 | 107.4 | P884 | P884-V886 PolarHBondContact O-N 2.82Š| ||
| 887 | T | 22.7 | Very low | 22.5 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 58% | 0.583 | 73% | 0.725 | S | S | * | * | trans | -82.6 | 5.9 | 159.3 | 46.9 | 0 | 0 | 0 | 0 | 111.3 | D885 A889 | D885-T887 WeakPolarHBondContact CB-OG1 3.24Å; D885-T887 PolarHBondContact O-N 2.74Å; D885-T887 WeakPolarHBondContact OD1-CG2 3.41Å; D885-T887 PolarHBondContact OD1-OG1 2.78Å; D885-T887 WeakPolarHBondContact OD2-CB 3.39Å; D885-T887 WeakPolarHBondContact OD2-CG2 3.37Å; D885-T887 PolarHBondContact OD2-OG1 2.65Å; T887-A889 PolarHBondContact O-N 1.99Å | ||
| 888 | G | 20.8 | Very low | 22.4 | Very low | 51 Ų | 51 | 117.5 Ų | 117.5 | 53% | 0.526 | 72% | 0.715 | S | S | . | * | S | Bend | trans | -54.6 | 95 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | L890 | G888-L890 VanDerWaalsContact C-N 3.31Å; G888-L890 PolarHBondContact O-N 3.01Å |
| 889 | A | 21.1 | Very low | 22.4 | Very low | 83 Ų | 83 | 117.5 Ų | 117.5 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | trans | -43.7 | 102.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 106 | T887 I891 | T887-A889 PolarHBondContact O-N 1.99Å; A889-I891 PolarHBondContact O-N 3.08Å | ||
| 890 | L | 20.6 | Very low | 22.6 | Very low | 142 Ų | 142 | 114.7 Ų | 114.7 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | trans | -65.3 | 99.7 | 172 | -131.5 | 93.1 | 0 | 0 | 0 | 102.4 | G888 T892 | G888-L890 VanDerWaalsContact C-N 3.31Å; G888-L890 PolarHBondContact O-N 3.01Å; L890-T892 PolarHBondContact O-N 2.97Å | ||
| 891 | I | 21 | Very low | 22.6 | Very low | 160 Ų | 160 | 114.8 Ų | 114.8 | 82% | 0.821 | 72% | 0.724 | S | S | * | * | trans | -62.8 | 88.7 | 171.3 | -59.9 | 174.5 | 0 | 0 | 0 | 103.2 | A889 G893 | A889-I891 PolarHBondContact O-N 3.08Å; I891-G893 PolarHBondContact O-N 3Å | ||
| 892 | T | 22.8 | Very low | 22.7 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -68.5 | 82 | 164.5 | 53.8 | 0 | 0 | 0 | 0 | 104.2 | L890 P894 | L890-T892 PolarHBondContact O-N 2.97Å; T892-P894 WeakPolarHBondContact O-CD 3.19Å; T892-P894 VanDerWaalsContact O-N 3.1Å | ||
| 893 | G | 20.1 | Very low | 22.8 | Very low | 48 Ų | 48 | 119.6 Ų | 119.6 | 50% | 0.495 | 73% | 0.731 | S | S | . | * | trans | -53.1 | 118.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | I891 C895 | I891-G893 PolarHBondContact O-N 3Å; G893-C895 PolarHBondContact O-N 3.45Å; G893-C895 VanDerWaalsContact O-N 3.16Å | ||
| 894 | P | 22 | Very low | 23.1 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | -53.1 | 129.2 | 172.3 | 22 | -30.6 | 0 | 0 | 0 | 106.2 | T892 M896 | T892-P894 WeakPolarHBondContact O-CD 3.19Å; T892-P894 VanDerWaalsContact O-N 3.1Å; P894-M896 VanDerWaalsContact C-N 3.27Å; P894-M896 PolarHBondContact O-N 3.35Å | ||
| 895 | C | 23 | Very low | 23.5 | Very low | 132 Ų | 132 | 122 Ų | 122 | 89% | 0.892 | 73% | 0.733 | S | S | * | * | trans | -54.1 | 99.4 | 177.3 | -60.7 | 0 | 0 | 0 | 0 | 107.4 | G893 A897 | G893-C895 PolarHBondContact O-N 3.45Å; G893-C895 VanDerWaalsContact O-N 3.16Å; C895-A897 PolarHBondContact O-N 2.71Å | ||
| 896 | M | 23.2 | Very low | 24.1 | Very low | 173 Ų | 173 | 124 Ų | 124 | 85% | 0.852 | 73% | 0.733 | S | S | * | * | trans | -58.3 | 126.7 | -179.3 | -75.9 | -75.9 | -78.7 | 0 | 0 | 105.6 | P894 G898 | P894-M896 VanDerWaalsContact C-N 3.27Å; P894-M896 PolarHBondContact O-N 3.35Å; M896-G898 PolarHBondContact O-N 2.81Å | ||
| 897 | A | 24.2 | Very low | 24.8 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -57.2 | 79.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | C895 N899 | C895-A897 PolarHBondContact O-N 2.71Å; A897-N899 PolarHBondContact O-N 2.86Å | ||
| 898 | G | 22.1 | Very low | 26.7 | Very low | 61 Ų | 61 | 125.7 Ų | 125.7 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | trans | -68.7 | 115.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | M896 S900 | M896-G898 PolarHBondContact O-N 2.81Å; G898-S900 PolarHBondContact O-N 3.31Å | ||
| 899 | N | 24.1 | Very low | 28.9 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | trans | -65.8 | 53.2 | -168.1 | -136.7 | 1.4 | 0 | 0 | 0 | 113.5 | A897 | A897-N899 PolarHBondContact O-N 2.86Š| ||
| 900 | S | 26.1 | Very low | 31.1 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | trans | -107.5 | 107 | 179 | 83.7 | 0 | 0 | 0 | 0 | 109.7 | G898 K902 | G898-S900 PolarHBondContact O-N 3.31Å; S900-K902 PolarHBondContact O-N 3.47Å | ||
| 901 | S | 24.3 | Very low | 33.4 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | trans | -69.4 | 37.3 | -176.8 | -36.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 902 | K | 25.2 | Very low | 35.9 | Very low | 170 Ų | 170 | 108.9 Ų | 108.9 | 74% | 0.739 | 62% | 0.62 | S | S | * | * | trans | -129.7 | 62.3 | -178.3 | -68 | -175.3 | -179.9 | 177.3 | 0 | 110.1 | S900 N904 | S900-K902 PolarHBondContact O-N 3.47Å; K902-N904 VanDerWaalsContact C-N 3.29Å; K902-N904 PolarHBondContact O-N 2.62Å | ||
| 903 | H | 24 | Very low | 38.5 | Very low | 190 Ų | 190 | 103.5 Ų | 103.5 | 88% | 0.88 | 59% | 0.587 | S | S | * | * | trans | -62.3 | 97.9 | 160.7 | -82.1 | -74.7 | 0 | 0 | 0 | 107.9 | Q905 | H903-Q905 PolarHBondContact O-N 2.99Š| ||
| 904 | N | 29.2 | Very low | 41.6 | Very low | 123 Ų | 123 | 101.3 Ų | 101.3 | 66% | 0.658 | 56% | 0.564 | S | S | * | * | trans | -59.2 | 127.5 | 177.8 | -82.7 | -34.3 | 0 | 0 | 0 | 109.2 | K902 Y906 | K902-N904 VanDerWaalsContact C-N 3.29Å; K902-N904 PolarHBondContact O-N 2.62Å; N904-Y906 HydrophobicContact CB-CD2 3.9Å; N904-Y906 HydrophobicContact CB-CE2 4.24Å; N904-Y906 PolarHBondContact O-N 3.12Å | ||
| 905 | Q | 32.1 | Very low | 44.8 | Very low | 179 Ų | 179 | 96.2 Ų | 96.2 | 84% | 0.836 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -70.6 | 37.4 | -170.4 | -156.2 | 176.3 | 27.6 | 0 | 0 | 114.1 | H903 D907 | H903-Q905 PolarHBondContact O-N 2.99Å; Q905-D907 PolarHBondContact O-N 3.31Å |
| 906 | Y | 34.3 | Very low | 47.9 | Very low | 168 Ų | 168 | 90.4 Ų | 90.4 | 66% | 0.659 | 49% | 0.491 | S | S | * | . | trans | -87.1 | 47.2 | 172 | -67 | -76.3 | 0 | 0 | 0 | 111 | N904 H908 | N904-Y906 HydrophobicContact CB-CD2 3.9Å; N904-Y906 HydrophobicContact CB-CE2 4.24Å; N904-Y906 PolarHBondContact O-N 3.12Å; Y906-H908 VanDerWaalsContact C-N 3.29Å; Y906-H908 PolarHBondContact O-N 2.89Å | ||
| 907 | D | 38.4 | Very low | 51.2 | Low | 118 Ų | 118 | 82.2 Ų | 82.2 | 63% | 0.631 | 45% | 0.45 | S | S | * | . | trans | -66.1 | 91.3 | 175 | -71.1 | -29.2 | 0 | 0 | 0 | 109.7 | Q905 | Q905-D907 PolarHBondContact O-N 3.31Š| ||
| 908 | H | 62.6 | Low | 54.3 | Low | 135 Ų | 135 | 78.3 Ų | 78.3 | 63% | 0.625 | 41% | 0.413 | S | S | * | . | trans | 55 | 99.7 | 149.5 | -44.2 | -48 | 0 | 0 | 0 | 116.9 | Y906 W1100 | Y906-H908 VanDerWaalsContact C-N 3.29Å; Y906-H908 PolarHBondContact O-N 2.89Å; H908-W1100 PolarHBondContact O-NE1 3.23Å | ||
| 909 | L | 65.4 | Low | 57.5 | Low | 74 Ų | 74 | 76.3 Ų | 76.3 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | trans | -52.7 | 150.7 | 158.1 | -70.9 | 160.9 | 0 | 0 | 0 | 110 | G911 F1038 R1050 W1100 | L909-G911 PolarHBondContact O-N 3.3Å; L909-F1038 HydrophobicContact CD2-CE2 3.82Å; L909-F1038 HydrophobicContact CD2-CZ 4Å; L909-R1050 VanDerWaalsContact C-NH1 3.29Å; L909-R1050 VanDerWaalsContact CB-CZ 3.49Å; L909-W1100 HydrophobicContact CD2-CZ2 4.37Å | ||
| 910 | P | 68.9 | Low | 60.4 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -71.1 | 130.9 | -167.6 | 26.1 | -26 | 0 | 0 | 0 | 111.4 | R1050 L1093 W1100 | P910-R1050 WeakPolarHBondContact O-CD 3.36Å; P910-R1050 PolarHBondContact O-NH1 3.08Å; P910-L1093 HydrophobicContact CB-CD1 3.81Å; P910-L1093 HydrophobicContact CG-CD1 3.89Å; P910-W1100 HydrophobicContact CB-CB 4.19Å; P910-W1100 HydrophobicContact CB-CD2 3.88Å; P910-W1100 HydrophobicContact CB-CE3 4.48Å; P910-W1100 HydrophobicContact CB-CG 3.67Å; P910-W1100 VanDerWaalsContact CD-CE2 3.4Å; P910-W1100 HydrophobicContact CG-CD2 3.77Å; P910-W1100 HydrophobicContact CG-CE3 4.04Å; P910-W1100 HydrophobicContact CG-CG 4.14Å; P910-W1100 HydrophobicContact CG-CZ2 4.29Å; P910-W1100 HydrophobicContact CG-CZ3 4.4Å | ||
| 911 | G | 69.3 | Low | 62.9 | Low | 7 Ų | 7 | 68.6 Ų | 68.6 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | trans | -61.2 | 178.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L909 S913 G1018 | L909-G911 PolarHBondContact O-N 3.3Å; G911-S913 PolarHBondContact O-N 2.94Å; G911-G1018 WeakPolarHBondContact CA-O 3.23Å | ||
| 912 | A | 72.7 | Confident | 65.2 | Low | 2 Ų | 2 | 67.9 Ų | 67.9 | 2% | 0.017 | 35% | 0.347 | C | S | . | . | trans | -64.6 | 129.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I833 V835 L967 G1018 P1048 | I833-A912 HydrophobicContact CD1-CB 4.21Å; I833-A912 HydrophobicContact CG2-CB 4.15Å; V835-A912 HydrophobicContact CG2-CB 3.99Å; A912-L967 HydrophobicContact CB-CD2 4.13Å; A912-G1018 PolarHBondContact N-O 2.81Å; A912-P1048 HydrophobicContact CB-CB 4.04Å; A912-P1048 HydrophobicContact CB-CG 4.4Å | ||
| 913 | S | 78.3 | Confident | 67.6 | Low | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | trans | -136.1 | -14.1 | -179.8 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | G911 L933 L1022 | G911-S913 PolarHBondContact O-N 2.94Å; S913-L933 PolarHBondContact O-N 2.91Å; S913-L1022 WeakPolarHBondContact OG-CD1 3.36Å | ||
| 914 | A | 84.6 | Confident | 70.3 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 133.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | T930 G931 S966 L967 | A914-T930 HydrophobicContact CB-CG2 3.69Å; A914-G931 CarbonylContact C-O 3.47Å; A914-G931 WeakPolarHBondContact CA-O 3.34Å; A914-S966 PolarHBondContact O-OG 2.97Å; A914-L967 WeakPolarHBondContact O-CD2 3.26Å |
| 915 | V | 88 | Confident | 72.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 156.5 | 173 | -61.3 | 0 | 0 | 0 | 0 | 109.4 | T930 G931 L933 V945 V962 V964 L967 | V915-T930 CarbonylContact O-C 3.57Å; V915-T930 WeakPolarHBondContact O-CA 3.46Å; V915-T930 WeakPolarHBondContact O-CG2 3.35Å; V915-G931 WeakPolarHBondContact CG2-O 3.44Å; V915-G931 PolarHBondContact N-O 3Å; V915-G931 PolarHBondContact O-N 3.1Å; V915-L933 HydrophobicContact CG1-CB 4.47Å; V915-V945 HydrophobicContact CG2-CG1 3.63Å; V915-V945 HydrophobicContact CG2-CG2 4.25Å; V915-V962 HydrophobicContact CB-CG1 3.89Å; V915-V962 HydrophobicContact CG2-CG1 3.72Å; V915-V964 HydrophobicContact CG1-CB 4.42Å; V915-V964 HydrophobicContact CG1-CG1 4.02Å; V915-L967 HydrophobicContact CG1-CD1 3.67Å; V915-L967 HydrophobicContact CG1-CG 4.05Å |
| 916 | H | 89.6 | Confident | 75.3 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 137.7 | 177.2 | -75.7 | -82.2 | 0 | 0 | 0 | 111.9 | Y918 V962 Y963 V1042 | H916-Y918 HydrophobicContact CB-CD2 4.16Å; H916-Y918 HydrophobicContact CB-CE2 3.55Å; H916-V962 CarbonylContact O-C 3.53Å; H916-V962 WeakPolarHBondContact O-CA 3.21Å; H916-Y963 HydrophobicContact CB-CD1 4.42Å; H916-Y963 PolarHBondContact N-O 3.4Å; H916-Y963 PolarHBondContact O-N 2.86Å; H916-V1042 VanDerWaalsContact CE1-CB 3.46Å; H916-V1042 WeakPolarHBondContact CE1-CB 3.05Å; H916-V1042 WeakPolarHBondContact NE2-CB 3.31Å; H916-V1042 WeakPolarHBondContact NE2-CG1 3.48Å; H916-V1042 WeakPolarHBondContact NE2-CG2 3.13Å |
| 917 | I | 91.7 | Very high | 77.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.9 | 174.8 | -61.8 | 163.4 | 0 | 0 | 0 | 107.6 | L928 C929 T947 V952 Y960 V962 L1007 | I917-L928 WeakPolarHBondContact O-CB 2.98Å; I917-L928 PolarHBondContact O-N 3.35Å; I917-C929 VanDerWaalsContact CD1-SG 3.6Å; I917-C929 PolarHBondContact N-O 3.47Å; I917-C929 PolarHBondContact O-N 2.73Å; I917-T947 HydrophobicContact CD1-CG2 3.7Å; I917-V952 HydrophobicContact CG2-CG2 4.14Å; I917-Y960 HydrophobicContact CG2-CD1 4.32Å; I917-V962 HydrophobicContact CG1-CG2 4.27Å; I917-L1007 HydrophobicContact CD1-CD1 3.7Å; I917-L1007 HydrophobicContact CG1-CD1 4Å; I917-L1007 HydrophobicContact CG2-CD1 4.34Å |
| 918 | Y | 89.7 | Confident | 80.2 | Confident | 22 Ų | 22 | 45 Ų | 45 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.4 | 177.8 | -72.9 | -98.4 | 0 | 0 | 0 | 110.1 | P815 H916 I925 E926 P927 Y960 Q961 Y963 L981 | P815-Y918 HydrophobicContact CB-CD1 4.45Å; P815-Y918 HydrophobicContact CB-CE1 3.76Å; H916-Y918 HydrophobicContact CB-CD2 4.16Å; H916-Y918 HydrophobicContact CB-CE2 3.55Å; Y918-I925 HydrophobicContact CD1-CD1 4.25Å; Y918-I925 HydrophobicContact CD1-CG1 3.79Å; Y918-I925 HydrophobicContact CG-CD1 4.22Å; Y918-I925 HydrophobicContact CG-CG1 4.07Å; Y918-E926 VanDerWaalsContact CA-O 3.31Å; Y918-E926 WeakPolarHBondContact CA-O 3.49Å; Y918-E926 VanDerWaalsContact CD1-C 3.4Å; Y918-E926 WeakPolarHBondContact CD1-O 3.42Å; Y918-P927 VanDerWaalsContact CD1-CA 3.48Å; Y918-P927 HydrophobicContact CD1-CB 4.08Å; Y918-P927 HydrophobicContact CE1-CB 3.59Å; Y918-P927 HydrophobicContact CE1-CG 4.25Å; Y918-Y960 WeakPolarHBondContact O-CA 3.1Å; Y918-Q961 PolarHBondContact N-O 2.84Å; Y918-Q961 PolarHBondContact O-N 3.47Å; Y918-Y963 HydrophobicContact CE2-CG 4.36Å; Y918-L981 HydrophobicContact CD2-CD1 4.46Å |
| 919 | I | 88.7 | Confident | 81.6 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 132.8 | 165.8 | -172.6 | 172.1 | 0 | 0 | 0 | 108.8 | E926 K958 Y960 | I919-E926 HydrophobicContact CG2-CB 3.93Å; I919-E926 PolarHBondContact N-O 3.1Å; I919-E926 PolarHBondContact O-N 3.37Å; I919-K958 HydrophobicContact CD1-CB 4.29Å; I919-K958 HydrophobicContact CD1-CD 3.54Å; I919-K958 HydrophobicContact CD1-CG 3.97Å; I919-Y960 HydrophobicContact CB-CD1 4.46Å; I919-Y960 HydrophobicContact CB-CE1 4.43Å; I919-Y960 HydrophobicContact CG1-CE1 4.38Å |
| 920 | V | 86 | Confident | 82.9 | Confident | 37 Ų | 37 | 35.1 Ų | 35.1 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116.8 | -179.4 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | I925 K959 Q961 | V920-I925 HydrophobicContact CG2-CD1 4.32Å; V920-I925 HydrophobicContact CG2-CG1 4.26Å; V920-K959 HydrophobicContact CB-CB 4.16Å; V920-K959 PolarHBondContact N-O 2.55Å; V920-Q961 HydrophobicContact CG2-CB 3.99Å; V920-Q961 HydrophobicContact CG2-CG 3.71Å |
| 921 | S | 78.6 | Confident | 84 | Confident | 61 Ų | 61 | 35.1 Ų | 35.1 | 43% | 0.427 | 20% | 0.201 | S | C | . | . | trans | -105.4 | 165.4 | 170.8 | -65.4 | 0 | 0 | 0 | 0 | 109.5 | K923 S924 | S921-K923 PolarHBondContact O-N 3.49Å; S921-S924 PolarHBondContact N-O 2.95Å; S921-S924 PolarHBondContact O-N 2.78Å | ||
| 922 | A | 72.5 | Confident | 85 | Confident | 107 Ų | 107 | 34.8 Ų | 34.8 | 88% | 0.884 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -59.4 | -21 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 923 | K | 75.7 | Confident | 85.6 | Confident | 196 Ų | 196 | 34.9 Ų | 34.9 | 85% | 0.852 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -118.3 | -12 | -175.4 | -63.1 | -175.1 | 178.8 | -176.7 | 0 | 114.8 | S921 | S921-K923 PolarHBondContact O-N 3.49Š|
| 924 | S | 80.8 | Confident | 85.9 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | trans | -154 | 153.2 | -172.5 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | S921 E926 | S921-S924 PolarHBondContact N-O 2.95Å; S921-S924 PolarHBondContact O-N 2.78Å; S924-E926 PolarHBondContact OG-OE1 3.32Å | ||
| 925 | I | 82.6 | Confident | 85.5 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 11% | 0.108 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.3 | 165.3 | -168.1 | 171.4 | 0 | 0 | 0 | 108.4 | I813 P815 Y918 V920 L981 | I813-I925 HydrophobicContact CG2-CB 4.32Å; I813-I925 HydrophobicContact CG2-CG2 3.83Å; P815-I925 HydrophobicContact CB-CG2 4.27Å; Y918-I925 HydrophobicContact CD1-CD1 4.25Å; Y918-I925 HydrophobicContact CD1-CG1 3.79Å; Y918-I925 HydrophobicContact CG-CD1 4.22Å; Y918-I925 HydrophobicContact CG-CG1 4.07Å; V920-I925 HydrophobicContact CG2-CD1 4.32Å; V920-I925 HydrophobicContact CG2-CG1 4.26Å; I925-L981 HydrophobicContact CD1-CD1 4.24Å; I925-L981 HydrophobicContact CD1-CD2 3.74Å |
| 926 | E | 83.9 | Confident | 84.8 | Confident | 101 Ų | 101 | 40.1 Ų | 40.1 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132 | -172.2 | -73.2 | 167.7 | -150.6 | 0 | 0 | 110.8 | Y918 I919 S924 L928 | Y918-E926 VanDerWaalsContact CA-O 3.31Å; Y918-E926 WeakPolarHBondContact CA-O 3.49Å; Y918-E926 VanDerWaalsContact CD1-C 3.4Å; Y918-E926 WeakPolarHBondContact CD1-O 3.42Å; I919-E926 HydrophobicContact CG2-CB 3.93Å; I919-E926 PolarHBondContact N-O 3.1Å; I919-E926 PolarHBondContact O-N 3.37Å; S924-E926 PolarHBondContact OG-OE1 3.32Å; E926-L928 PolarHBondContact O-N 3.06Å |
| 927 | P | 85.5 | Confident | 83.8 | Confident | 48 Ų | 48 | 49.3 Ų | 49.3 | 31% | 0.312 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 129.6 | 176.6 | 27.9 | -33.1 | 0 | 0 | 0 | 109.5 | Y918 Y1086 | Y918-P927 VanDerWaalsContact CD1-CA 3.48Å; Y918-P927 HydrophobicContact CD1-CB 4.08Å; Y918-P927 HydrophobicContact CE1-CB 3.59Å; Y918-P927 HydrophobicContact CE1-CG 4.25Å; P927-Y1086 HydrophobicContact CB-CD2 4.37Å; P927-Y1086 HydrophobicContact CB-CE1 4.23Å; P927-Y1086 HydrophobicContact CB-CE2 3.75Å; P927-Y1086 HydrophobicContact CG-CE1 4.21Å; P927-Y1086 HydrophobicContact CG-CE2 4.02Å; P927-Y1086 WeakPolarHBondContact CG-OH 3.24Å |
| 928 | L | 88.6 | Confident | 82.7 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -56.2 | -175.4 | -172.8 | 64.9 | 0 | 0 | 0 | 111.7 | I917 E926 C951 Y960 | I917-L928 WeakPolarHBondContact O-CB 2.98Å; I917-L928 PolarHBondContact O-N 3.35Å; E926-L928 PolarHBondContact O-N 3.06Å; L928-C951 WeakPolarHBondContact CD2-O 3.25Å; L928-Y960 HydrophobicContact CD2-CD1 4.34Å; L928-Y960 HydrophobicContact CD2-CE1 3.84Å |
| 929 | C | 93 | Very high | 82 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | -175.4 | -174.2 | 80.4 | 0 | 0 | 0 | 0 | 112.3 | I917 C951 V1088 | I917-C929 VanDerWaalsContact CD1-SG 3.6Å; I917-C929 PolarHBondContact N-O 3.47Å; I917-C929 PolarHBondContact O-N 2.73Å; C929-C951 HydrophobicContact CB-CB 3.73Å; C929-C951 WeakPolarHBondContact CB-SG 3.45Å; C929-C951 WeakPolarHBondContact SG-CB 3.32Å; C929-C951 CovalentContact SG-SG 1.99Å; C929-C951 PolarHBondContact SG-SG 3.38Å; C929-V1088 HydrophobicContact CB-CB 4.31Å; C929-V1088 WeakPolarHBondContact CB-O 3.34Å |
| 930 | T | 92.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 154.3 | 173.2 | -61.2 | 0 | 0 | 0 | 0 | 111 | A914 V915 T947 Y1086 V1088 G1089 S1090 | A914-T930 HydrophobicContact CB-CG2 3.69Å; V915-T930 CarbonylContact O-C 3.57Å; V915-T930 WeakPolarHBondContact O-CA 3.46Å; V915-T930 WeakPolarHBondContact O-CG2 3.35Å; T930-T947 PolarHBondContact O-OG1 3.38Å; T930-Y1086 WeakPolarHBondContact CB-O 3.33Å; T930-Y1086 PolarHBondContact OG1-O 3.43Å; T930-V1088 PolarHBondContact N-O 3.17Å; T930-G1089 CarbonylContact O-C 3.52Å; T930-G1089 VanDerWaalsContact O-C 3.31Å; T930-G1089 WeakPolarHBondContact O-CA 3.28Å; T930-S1090 WeakPolarHBondContact CB-OG 3.24Å; T930-S1090 WeakPolarHBondContact CG2-OG 3.13Å |
| 931 | G | 91.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 179.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111 | A914 V915 L946 | A914-G931 CarbonylContact C-O 3.47Å; A914-G931 WeakPolarHBondContact CA-O 3.34Å; V915-G931 WeakPolarHBondContact CG2-O 3.44Å; V915-G931 PolarHBondContact N-O 3Å; V915-G931 PolarHBondContact O-N 3.1Å; G931-L946 CarbonylContact C-O 3.55Å; G931-L946 WeakPolarHBondContact CA-O 3.42Å |
| 932 | T | 90.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.7 | 178.4 | -47.3 | 0 | 0 | 0 | 0 | 109.5 | Y934 V945 L946 L1022 P1091 | T932-Y934 PolarHBondContact O-N 3.08Å; T932-Y934 VanDerWaalsContact O-N 3.14Å; T932-V945 CarbonylContact O-C 3.56Å; T932-V945 WeakPolarHBondContact O-CA 3.28Å; T932-L946 PolarHBondContact N-O 3.24Å; T932-L946 PolarHBondContact O-N 3.34Å; T932-L1022 HydrophobicContact CG2-CD1 4Å; T932-P1091 HydrophobicContact CG2-CB 4.18Å; T932-P1091 HydrophobicContact CG2-CG 4.01Å; T932-P1091 WeakPolarHBondContact OG1-CB 3.26Å; T932-P1091 WeakPolarHBondContact OG1-CD 3.02Å; T932-P1091 WeakPolarHBondContact OG1-CG 3.1Å |
| 933 | L | 86.6 | Confident | 82 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 112.8 | 170.9 | -172.4 | 70.5 | 0 | 0 | 0 | 109.3 | S913 V915 V945 L967 V1013 V1015 I1019 | S913-L933 PolarHBondContact O-N 2.91Å; V915-L933 HydrophobicContact CG1-CB 4.47Å; L933-V945 HydrophobicContact CD1-CG2 3.99Å; L933-L967 HydrophobicContact CB-CD1 4.4Å; L933-L967 HydrophobicContact CD2-CD1 4.15Å; L933-V1013 HydrophobicContact CD1-CB 4.32Å; L933-V1013 HydrophobicContact CD1-CG2 4.38Å; L933-V1013 HydrophobicContact CD2-CB 4.08Å; L933-V1013 HydrophobicContact CD2-CG1 3.91Å; L933-V1015 HydrophobicContact CD2-CG2 4.38Å; L933-I1019 HydrophobicContact CD2-CG2 4.28Å |
| 934 | Y | 84 | Confident | 82.6 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 13% | 0.125 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 121.2 | -179.3 | 173.9 | -99.3 | 0 | 0 | 0 | 110.1 | T932 R936 S942 E944 L946 M1006 L1024 V1141 | T932-Y934 PolarHBondContact O-N 3.08Å; T932-Y934 VanDerWaalsContact O-N 3.14Å; Y934-R936 HydrophobicContact CE1-CG 4.07Å; Y934-S942 WeakPolarHBondContact O-CB 2.95Å; Y934-S942 PolarHBondContact O-OG 3.16Å; Y934-E944 HydrophobicContact CD1-CB 4.22Å; Y934-E944 VanDerWaalsContact CD1-OE2 3.28Å; Y934-E944 WeakPolarHBondContact CD1-OE2 3.46Å; Y934-E944 WeakPolarHBondContact CE1-OE2 3.28Å; Y934-E944 PolarHBondContact N-O 2.69Å; Y934-L946 HydrophobicContact CD2-CD1 3.75Å; Y934-L946 HydrophobicContact CG-CD1 3.94Å; Y934-L946 HydrophobicContact CG-CG 4.39Å; Y934-M1006 HydrophobicContact CD1-CE 3.92Å; Y934-M1006 HydrophobicContact CG-CE 4.2Å; Y934-L1024 HydrophobicContact CE2-CD1 3.92Å; Y934-L1024 HydrophobicContact CE2-CG 3.98Å; Y934-V1141 HydrophobicContact CD1-CG1 4.18Å; Y934-V1141 HydrophobicContact CE1-CB 4.3Å; Y934-V1141 HydrophobicContact CE1-CG1 3.65Å; Y934-V1141 HydrophobicContact CE1-CG2 4.26Å; Y934-V1141 HydrophobicContact CE2-CG2 4.23Å |
| 935 | T | 76.2 | Confident | 83.1 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | trans | -119.7 | 131.5 | -178.4 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | Q939 S942 V1015 P1021 | T935-Q939 HydrophobicContact CG2-CB 4.36Å; T935-Q939 VanDerWaalsContact CG2-O 3.27Å; T935-Q939 WeakPolarHBondContact CG2-O 3.35Å; T935-S942 WeakPolarHBondContact OG1-CB 3.21Å; T935-V1015 HydrophobicContact CG2-CG2 3.81Å; T935-V1015 VanDerWaalsContact OG1-CG2 3.3Å; T935-V1015 WeakPolarHBondContact OG1-CG2 3.24Å; T935-P1021 HydrophobicContact CG2-CB 4.43Å; T935-P1021 HydrophobicContact CG2-CG 4.49Å | ||
| 936 | R | 73.1 | Confident | 83.4 | Confident | 74 Ų | 74 | 48.1 Ų | 48.1 | 28% | 0.279 | 24% | 0.24 | S | C | . | . | trans | -71.9 | 151.3 | 176.4 | -60 | -178.2 | -175.3 | -94 | -12.5 | 111 | Y934 G938 Q939 E944 | Y934-R936 HydrophobicContact CE1-CG 4.07Å; R936-G938 PolarHBondContact O-N 2.85Å; R936-Q939 HydrophobicContact CB-CG 4.23Å; R936-Q939 PolarHBondContact O-N 3.08Å; R936-Q939 VanDerWaalsContact O-N 3.13Å; R936-E944 IonicContact CZ-OE1 3.67Å; R936-E944 IonicContact CZ-OE2 3.6Å; R936-E944 IonicContact NE-OE1 3.76Å; R936-E944 IonicContact NE-OE2 2.91Å; R936-E944 IonicContact NH2-OE1 2.67Å; R936-E944 PolarHBondContact NH2-OE1 2.61Å; R936-E944 IonicContact NH2-OE2 3.76Å; R936-E944 PolarHBondContact NH2-OE2 2.88Å; R936-E944 VanDerWaalsContact NH2-OE2 3.08Å | ||
| 937 | R | 69.3 | Low | 83.8 | Confident | 203 Ų | 203 | 43.3 Ų | 43.3 | 77% | 0.766 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 125.4 | 177.4 | -78 | -175.5 | 179.4 | 165.6 | 2.3 | 111.2 | ||
| 938 | G | 68.3 | Low | 84.1 | Confident | 89 Ų | 89 | 41 Ų | 41 | 92% | 0.918 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 6.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R936 | R936-G938 PolarHBondContact O-N 2.85Š|
| 939 | Q | 74.5 | Confident | 84 | Confident | 104 Ų | 104 | 38 Ų | 38 | 49% | 0.486 | 19% | 0.187 | S | C | . | . | trans | -99.5 | 135.6 | 173.7 | -67.2 | -167.2 | -40.2 | 0 | 0 | 111.1 | T935 R936 | T935-Q939 HydrophobicContact CG2-CB 4.36Å; T935-Q939 VanDerWaalsContact CG2-O 3.27Å; T935-Q939 WeakPolarHBondContact CG2-O 3.35Å; R936-Q939 HydrophobicContact CB-CG 4.23Å; R936-Q939 PolarHBondContact O-N 3.08Å; R936-Q939 VanDerWaalsContact O-N 3.13Å | ||
| 940 | E | 72.4 | Confident | 83.7 | Confident | 134 Ų | 134 | 42.2 Ų | 42.2 | 63% | 0.626 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -88.4 | -8.9 | 176.3 | -64.9 | -174.4 | 168.6 | 0 | 0 | 113.3 | V1015 | E940-V1015 WeakPolarHBondContact O-CB 2.98Å; E940-V1015 PolarHBondContact O-N 3.48Å |
| 941 | Y | 79.9 | Confident | 83.5 | Confident | 100 Ų | 100 | 42.7 Ų | 42.7 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146 | -178.3 | -64 | -93.5 | 0 | 0 | 0 | 110.1 | V1013 K1014 | Y941-V1013 CarbonylContact C-O 3.59Å; Y941-V1013 VanDerWaalsContact CA-O 3.28Å; Y941-V1013 WeakPolarHBondContact CA-O 3.32Å; Y941-K1014 HydrophobicContact CD1-CB 3.82Å; Y941-K1014 HydrophobicContact CD1-CG 4.13Å; Y941-K1014 HydrophobicContact CE1-CB 3.49Å; Y941-K1014 VanDerWaalsContact CE1-CB 3.49Å; Y941-K1014 HydrophobicContact CE1-CD 3.99Å; Y941-K1014 HydrophobicContact CE1-CG 3.57Å |
| 942 | S | 84.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 140.9 | 173 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | Y934 T935 E944 V1013 | Y934-S942 WeakPolarHBondContact O-CB 2.95Å; Y934-S942 PolarHBondContact O-OG 3.16Å; T935-S942 WeakPolarHBondContact OG1-CB 3.21Å; S942-E944 PolarHBondContact OG-N 2.94Å; S942-E944 PolarHBondContact OG-O 2.95Å; S942-V1013 PolarHBondContact N-O 3.45Å; S942-V1013 PolarHBondContact O-N 2.85Å |
| 943 | D | 88.2 | Confident | 82.5 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 15.1 | 168.3 | 56 | -15.9 | 0 | 0 | 0 | 111.6 | K1008 L1009 R1012 | D943-K1008 CarbonylContact O-C 3.53Å; D943-K1008 VanDerWaalsContact O-CA 3.31Å; D943-K1008 WeakPolarHBondContact O-CA 3.48Å; D943-K1008 WeakPolarHBondContact OD2-CE 3.37Å; D943-K1008 IonicContact OD2-NZ 3.83Å; D943-L1009 HydrophobicContact CB-CB 4.28Å; D943-L1009 PolarHBondContact O-N 3.33Å; D943-R1012 HydrophobicContact CB-CG 3.96Å |
| 944 | E | 88.8 | Confident | 81.4 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.8 | -172.2 | -70.6 | 177.6 | 179.4 | 0 | 0 | 110.2 | Y934 R936 S942 M1006 L1007 Q1145 | Y934-E944 HydrophobicContact CD1-CB 4.22Å; Y934-E944 VanDerWaalsContact CD1-OE2 3.28Å; Y934-E944 WeakPolarHBondContact CD1-OE2 3.46Å; Y934-E944 WeakPolarHBondContact CE1-OE2 3.28Å; Y934-E944 PolarHBondContact N-O 2.69Å; R936-E944 IonicContact CZ-OE1 3.67Å; R936-E944 IonicContact CZ-OE2 3.6Å; R936-E944 IonicContact NE-OE1 3.76Å; R936-E944 IonicContact NE-OE2 2.91Å; R936-E944 IonicContact NH2-OE1 2.67Å; R936-E944 PolarHBondContact NH2-OE1 2.61Å; R936-E944 IonicContact NH2-OE2 3.76Å; R936-E944 PolarHBondContact NH2-OE2 2.88Å; R936-E944 VanDerWaalsContact NH2-OE2 3.08Å; S942-E944 PolarHBondContact OG-N 2.94Å; S942-E944 PolarHBondContact OG-O 2.95Å; E944-M1006 HydrophobicContact CB-CE 4.21Å; E944-M1006 HydrophobicContact CB-SD 3.75Å; E944-M1006 HydrophobicContact CG-SD 4.43Å; E944-L1007 WeakPolarHBondContact CA-O 3.44Å; E944-Q1145 PolarHBondContact OE1-NE2 3.37Å |
| 945 | V | 90.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.6 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | V915 T932 L933 V962 M1006 L1007 L1009 | V915-V945 HydrophobicContact CG2-CG1 3.63Å; V915-V945 HydrophobicContact CG2-CG2 4.25Å; T932-V945 CarbonylContact O-C 3.56Å; T932-V945 WeakPolarHBondContact O-CA 3.28Å; L933-V945 HydrophobicContact CD1-CG2 3.99Å; V945-V962 HydrophobicContact CG2-CG1 4.34Å; V945-M1006 VanDerWaalsContact C-SD 3.56Å; V945-M1006 CarbonylContact O-C 3.58Å; V945-M1006 WeakPolarHBondContact O-CA 3.2Å; V945-M1006 VanDerWaalsContact O-SD 3.36Å; V945-L1007 HydrophobicContact CB-CB 4.27Å; V945-L1007 PolarHBondContact N-O 3.39Å; V945-L1007 PolarHBondContact O-N 3.28Å; V945-L1009 HydrophobicContact CG2-CD1 3.98Å; V945-L1009 HydrophobicContact CG2-CD2 4.28Å; V945-L1009 HydrophobicContact CG2-CG 4.22Å |
| 946 | L | 90 | Very high | 79.3 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.2 | 176.3 | -74.5 | 173.1 | 0 | 0 | 0 | 111.3 | G931 T932 Y934 M1006 L1024 V1141 | G931-L946 CarbonylContact C-O 3.55Å; G931-L946 WeakPolarHBondContact CA-O 3.42Å; T932-L946 PolarHBondContact N-O 3.24Å; T932-L946 PolarHBondContact O-N 3.34Å; Y934-L946 HydrophobicContact CD2-CD1 3.75Å; Y934-L946 HydrophobicContact CG-CD1 3.94Å; Y934-L946 HydrophobicContact CG-CG 4.39Å; L946-M1006 HydrophobicContact CD1-CE 4.3Å; L946-M1006 HydrophobicContact CD2-CB 4.36Å; L946-M1006 HydrophobicContact CD2-CE 3.25Å; L946-M1006 HydrophobicContact CD2-SD 3.67Å; L946-M1006 HydrophobicContact CG-CE 3.59Å; L946-M1006 HydrophobicContact CG-SD 3.88Å; L946-L1024 HydrophobicContact CD1-CD2 4.36Å; L946-V1141 HydrophobicContact CD1-CG2 4.14Å; L946-V1141 HydrophobicContact CD2-CG2 4.14Å |
| 947 | T | 92.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 179.3 | 173 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | I917 T930 V952 M1004 T1005 L1007 G1089 I1105 | I917-T947 HydrophobicContact CD1-CG2 3.7Å; T930-T947 PolarHBondContact O-OG1 3.38Å; T947-V952 HydrophobicContact CG2-CG2 4.12Å; T947-M1004 WeakPolarHBondContact O-CA 3.46Å; T947-T1005 HydrophobicContact CG2-CG2 4.5Å; T947-T1005 PolarHBondContact N-O 3.1Å; T947-T1005 PolarHBondContact O-N 3.19Å; T947-L1007 HydrophobicContact CG2-CD1 4.45Å; T947-G1089 WeakPolarHBondContact OG1-CA 3.21Å; T947-I1105 WeakPolarHBondContact O-CD1 3.37Å |
| 948 | A | 91 | Very high | 79.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 142.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R950 C951 V952 V1088 I1105 | A948-R950 PolarHBondContact O-N 2.73Å; A948-C951 WeakPolarHBondContact O-CB 3.43Å; A948-C951 PolarHBondContact O-N 3.04Å; A948-V952 PolarHBondContact O-N 3.03Å; A948-V1088 HydrophobicContact CB-CG1 4.26Å; A948-I1105 HydrophobicContact CB-CG2 3.94Å |
| 949 | S | 86.8 | Confident | 80 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.2 | 175.7 | -66.5 | 0 | 0 | 0 | 0 | 113.8 | C951 V952 N989 G1003 M1004 T1005 | S949-C951 PolarHBondContact O-N 2.94Å; S949-V952 CarbonylContact O-C 3.54Å; S949-V952 PolarHBondContact O-N 2.63Å; S949-N989 VanDerWaalsContact CB-OD1 3.23Å; S949-N989 WeakPolarHBondContact CB-OD1 3.24Å; S949-N989 PolarHBondContact OG-OD1 2.85Å; S949-G1003 PolarHBondContact N-O 2.95Å; S949-G1003 VanDerWaalsContact OG-CA 3.24Å; S949-G1003 WeakPolarHBondContact OG-CA 3.28Å; S949-M1004 PolarHBondContact OG-N 3.43Å; S949-M1004 PolarHBondContact OG-O 3.2Å; S949-T1005 WeakPolarHBondContact CA-OG1 3.31Å; S949-T1005 PolarHBondContact OG-OG1 3.42Å |
| 950 | R | 87 | Confident | 80.8 | Confident | 91 Ų | 91 | 51.5 Ų | 51.5 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.7 | 170.7 | 170.6 | 174.9 | -54.6 | -61.3 | -11.7 | 113.2 | A948 E1001 D1107 | A948-R950 PolarHBondContact O-N 2.73Å; R950-E1001 IonicContact CZ-OE2 3.01Å; R950-E1001 PolarHBondContact N-O 3.02Å; R950-E1001 IonicContact NH1-OE2 2.69Å; R950-E1001 PolarHBondContact NH1-OE2 3.41Å; R950-E1001 IonicContact NH2-OE2 3.85Å; R950-E1001 PolarHBondContact NH2-OE2 3.23Å; R950-D1107 IonicContact CZ-OD2 2.77Å; R950-D1107 IonicContact NE-OD1 3.16Å; R950-D1107 IonicContact NE-OD2 3.43Å; R950-D1107 PolarHBondContact NE-OD2 3.45Å; R950-D1107 VanDerWaalsContact NE-OD2 3.12Å; R950-D1107 IonicContact NH2-OD2 2.74Å |
| 951 | C | 89 | Confident | 81.7 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -51.2 | 179.1 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L928 C929 A948 S949 P953 V1088 | L928-C951 WeakPolarHBondContact CD2-O 3.25Å; C929-C951 HydrophobicContact CB-CB 3.73Å; C929-C951 WeakPolarHBondContact CB-SG 3.45Å; C929-C951 WeakPolarHBondContact SG-CB 3.32Å; C929-C951 CovalentContact SG-SG 1.99Å; C929-C951 PolarHBondContact SG-SG 3.38Å; A948-C951 WeakPolarHBondContact O-CB 3.43Å; A948-C951 PolarHBondContact O-N 3.04Å; S949-C951 PolarHBondContact O-N 2.94Å; C951-P953 VanDerWaalsContact O-CD 3.25Å; C951-P953 WeakPolarHBondContact O-CD 3.36Å; C951-V1088 HydrophobicContact CB-CG1 4.28Å |
| 952 | V | 86.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -116.8 | 87.5 | -176.5 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | I917 T947 A948 S949 Y960 I987 T1005 L1007 | I917-V952 HydrophobicContact CG2-CG2 4.14Å; T947-V952 HydrophobicContact CG2-CG2 4.12Å; A948-V952 PolarHBondContact O-N 3.03Å; S949-V952 CarbonylContact O-C 3.54Å; S949-V952 PolarHBondContact O-N 2.63Å; V952-Y960 HydrophobicContact CG1-CD2 4.25Å; V952-Y960 HydrophobicContact CG1-CE1 4.15Å; V952-Y960 HydrophobicContact CG1-CE2 3.82Å; V952-Y960 HydrophobicContact CG2-CE1 4.37Å; V952-I987 HydrophobicContact CG1-CD1 3.91Å; V952-I987 HydrophobicContact CG1-CG1 4.45Å; V952-I987 HydrophobicContact CG1-CG2 3.83Å; V952-T1005 HydrophobicContact CB-CG2 4.07Å; V952-T1005 HydrophobicContact CG1-CG2 4.34Å; V952-T1005 PolarHBondContact O-OG1 3.33Å; V952-L1007 HydrophobicContact CB-CD2 4.3Å; V952-L1007 HydrophobicContact CG1-CD2 3.95Å; V952-L1007 HydrophobicContact CG2-CD1 4.34Å; V952-L1007 HydrophobicContact CG2-CD2 4.21Å |
| 953 | P | 72.5 | Confident | 82.4 | Confident | 59 Ų | 59 | 42.3 Ų | 42.3 | 38% | 0.383 | 26% | 0.255 | S | S | . | . | trans | -66.1 | 156.6 | 178.1 | 24.8 | -32 | 0 | 0 | 0 | 111.9 | C951 S955 | C951-P953 VanDerWaalsContact O-CD 3.25Å; C951-P953 WeakPolarHBondContact O-CD 3.36Å; P953-S955 PolarHBondContact O-N 3.08Å | ||
| 954 | P | 64.7 | Low | 82.1 | Confident | 88 Ų | 88 | 41.7 Ų | 41.7 | 57% | 0.571 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -70.9 | 125.4 | -179.6 | 22.8 | -13.8 | 0 | 0 | 0 | 110.5 | N989 | P954-N989 HydrophobicContact CB-CB 4.28Å; P954-N989 WeakPolarHBondContact CD-ND2 3.49Å; P954-N989 VanDerWaalsContact CG-ND2 3.35Å; P954-N989 WeakPolarHBondContact CG-ND2 3.36Å |
| 955 | S | 59.3 | Low | 81.5 | Confident | 121 Ų | 121 | 41 Ų | 41 | 85% | 0.846 | 25% | 0.249 | S | C | * | . | trans | 63.5 | 60.1 | 156.1 | -57.9 | 0 | 0 | 0 | 0 | 119.6 | P953 | P953-S955 PolarHBondContact O-N 3.08Š| ||
| 956 | G | 56.6 | Low | 80.8 | Confident | 56 Ų | 56 | 41.4 Ų | 41.4 | 58% | 0.577 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -102.2 | 17.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117 | K958 | G956-K958 PolarHBondContact O-N 3.31Š|
| 957 | G | 62.3 | Low | 80.1 | Confident | 84 Ų | 84 | 41.4 Ų | 41.4 | 87% | 0.866 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 62.8 | 3.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 958 | K | 77.5 | Confident | 79.1 | Confident | 119 Ų | 119 | 43.6 Ų | 43.6 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | trans | -74.9 | 136.4 | -179.5 | -70.7 | 172 | 167.6 | -167.3 | 0 | 110 | I919 G956 Y960 | I919-K958 HydrophobicContact CD1-CB 4.29Å; I919-K958 HydrophobicContact CD1-CD 3.54Å; I919-K958 HydrophobicContact CD1-CG 3.97Å; G956-K958 PolarHBondContact O-N 3.31Å; K958-Y960 HydrophobicContact CB-CE2 3.88Å | ||
| 959 | K | 86.2 | Confident | 78 | Confident | 157 Ų | 157 | 44.5 Ų | 44.5 | 68% | 0.683 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 140 | 172.1 | -67.2 | -177.8 | 179.8 | 179.7 | 0 | 109.1 | V920 | V920-K959 HydrophobicContact CB-CB 4.16Å; V920-K959 PolarHBondContact N-O 2.55Å |
| 960 | Y | 90.6 | Very high | 77.2 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.6 | 179.3 | -59.8 | -88.4 | 0 | 0 | 0 | 110.4 | I917 Y918 I919 L928 V952 K958 V984 I987 | I917-Y960 HydrophobicContact CG2-CD1 4.32Å; Y918-Y960 WeakPolarHBondContact O-CA 3.1Å; I919-Y960 HydrophobicContact CB-CD1 4.46Å; I919-Y960 HydrophobicContact CB-CE1 4.43Å; I919-Y960 HydrophobicContact CG1-CE1 4.38Å; L928-Y960 HydrophobicContact CD2-CD1 4.34Å; L928-Y960 HydrophobicContact CD2-CE1 3.84Å; V952-Y960 HydrophobicContact CG1-CD2 4.25Å; V952-Y960 HydrophobicContact CG1-CE1 4.15Å; V952-Y960 HydrophobicContact CG1-CE2 3.82Å; V952-Y960 HydrophobicContact CG2-CE1 4.37Å; K958-Y960 HydrophobicContact CB-CE2 3.88Å; Y960-V984 WeakPolarHBondContact O-CG2 3.04Å; Y960-V984 PolarHBondContact O-N 3.32Å; Y960-I987 HydrophobicContact CD2-CD1 3.54Å; Y960-I987 HydrophobicContact CE2-CD1 3.63Å |
| 961 | Q | 90.6 | Very high | 76.2 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 15% | 0.15 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 145.1 | 172.5 | -77.3 | 176.2 | -5.2 | 0 | 0 | 109.5 | Y918 V920 L981 I982 E983 | Y918-Q961 PolarHBondContact N-O 2.84Å; Y918-Q961 PolarHBondContact O-N 3.47Å; V920-Q961 HydrophobicContact CG2-CB 3.99Å; V920-Q961 HydrophobicContact CG2-CG 3.71Å; Q961-L981 HydrophobicContact CB-CD1 3.83Å; Q961-L981 HydrophobicContact CB-CG 4.02Å; Q961-L981 HydrophobicContact CG-CG 4.46Å; Q961-L981 VanDerWaalsContact OE1-CG 3.3Å; Q961-I982 CarbonylContact C-O 3.56Å; Q961-I982 WeakPolarHBondContact CA-O 3.26Å; Q961-E983 HydrophobicContact CG-CG 4.01Å |
| 962 | V | 90.5 | Very high | 75.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.5 | 179 | -179.6 | 0 | 0 | 0 | 0 | 109 | V915 H916 I917 V945 V964 I982 V984 L1007 L1009 | V915-V962 HydrophobicContact CB-CG1 3.89Å; V915-V962 HydrophobicContact CG2-CG1 3.72Å; H916-V962 CarbonylContact O-C 3.53Å; H916-V962 WeakPolarHBondContact O-CA 3.21Å; I917-V962 HydrophobicContact CG1-CG2 4.27Å; V945-V962 HydrophobicContact CG2-CG1 4.34Å; V962-V964 HydrophobicContact CG1-CG1 4.08Å; V962-I982 PolarHBondContact N-O 3.43Å; V962-I982 PolarHBondContact O-N 2.95Å; V962-V984 HydrophobicContact CG2-CG2 3.86Å; V962-L1007 HydrophobicContact CG2-CD1 4.14Å; V962-L1009 HydrophobicContact CB-CD2 3.8Å; V962-L1009 HydrophobicContact CG1-CD2 4.48Å; V962-L1009 HydrophobicContact CG2-CD2 3.59Å |
| 963 | Y | 88.5 | Confident | 74.4 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 114.7 | 173.3 | 175.8 | -103.7 | 0 | 0 | 0 | 109.9 | L817 H916 Y918 G965 L977 T980 | L817-Y963 HydrophobicContact CD2-CE1 4.35Å; H916-Y963 HydrophobicContact CB-CD1 4.42Å; H916-Y963 PolarHBondContact N-O 3.4Å; H916-Y963 PolarHBondContact O-N 2.86Å; Y918-Y963 HydrophobicContact CE2-CG 4.36Å; Y963-G965 VanDerWaalsContact CZ-CA 3.44Å; Y963-L977 HydrophobicContact CE2-CD1 4Å; Y963-T980 WeakPolarHBondContact CA-O 3.27Å; Y963-T980 WeakPolarHBondContact CD2-OG1 3.18Å; Y963-T980 WeakPolarHBondContact CE2-OG1 3.45Å |
| 964 | V | 83.1 | Confident | 74.3 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | trans | -100.2 | 2.6 | 179.6 | -57.7 | 0 | 0 | 0 | 0 | 113.2 | V915 V962 S966 L967 T980 I982 V1013 | V915-V964 HydrophobicContact CG1-CB 4.42Å; V915-V964 HydrophobicContact CG1-CG1 4.02Å; V962-V964 HydrophobicContact CG1-CG1 4.08Å; V964-S966 PolarHBondContact O-N 2.9Å; V964-L967 WeakPolarHBondContact O-CB 3.31Å; V964-L967 PolarHBondContact O-N 3.14Å; V964-T980 WeakPolarHBondContact CG2-O 3.35Å; V964-T980 PolarHBondContact N-O 3.05Å; V964-I982 HydrophobicContact CG1-CD1 4.29Å; V964-I982 HydrophobicContact CG2-CD1 4.06Å; V964-V1013 HydrophobicContact CG1-CG2 4.01Å; V964-V1013 HydrophobicContact CG2-CG2 4.44Å | ||
| 965 | G | 77 | Confident | 74.5 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -65.2 | -19.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y963 L967 L968 | Y963-G965 VanDerWaalsContact CZ-CA 3.44Å; G965-L967 PolarHBondContact O-N 2.8Å; G965-L968 PolarHBondContact O-N 3Å |
| 966 | S | 75.6 | Confident | 75.1 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -62.7 | -16 | 169.6 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | A914 V964 | A914-S966 PolarHBondContact O-OG 2.97Å; V964-S966 PolarHBondContact O-N 2.9Å |
| 967 | L | 75.3 | Confident | 75.8 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -93.4 | 1.5 | 175.7 | -54.7 | -178 | 0 | 0 | 0 | 112.9 | A912 A914 V915 L933 V964 G965 I1019 | A912-L967 HydrophobicContact CB-CD2 4.13Å; A914-L967 WeakPolarHBondContact O-CD2 3.26Å; V915-L967 HydrophobicContact CG1-CD1 3.67Å; V915-L967 HydrophobicContact CG1-CG 4.05Å; L933-L967 HydrophobicContact CB-CD1 4.4Å; L933-L967 HydrophobicContact CD2-CD1 4.15Å; V964-L967 WeakPolarHBondContact O-CB 3.31Å; V964-L967 PolarHBondContact O-N 3.14Å; G965-L967 PolarHBondContact O-N 2.8Å; L967-I1019 HydrophobicContact CB-CD1 3.78Å; L967-I1019 HydrophobicContact CB-CG1 4Å; L967-I1019 HydrophobicContact CD1-CD1 3.97Å; L967-I1019 HydrophobicContact CD1-CG1 4.37Å; L967-I1019 HydrophobicContact CD1-CG2 4.3Å; L967-I1019 HydrophobicContact CG-CD1 4.44Å |
| 968 | L | 71.2 | Confident | 76.3 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -116.4 | 157.6 | -177.8 | -62 | 177.8 | 0 | 0 | 0 | 111.1 | G965 A973 T980 I1016 | G965-L968 PolarHBondContact O-N 3Å; L968-A973 HydrophobicContact CB-CB 4.37Å; L968-T980 HydrophobicContact CD1-CG2 3.63Å; L968-I1016 HydrophobicContact CD2-CD1 4.15Å |
| 969 | P | 68.3 | Low | 76.2 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | trans | -54.3 | 139.4 | 165.8 | -21.9 | 32.4 | 0 | 0 | 0 | 110.9 | V835 D837 R971 M972 A973 | V835-P969 HydrophobicContact CG1-CG 4.29Å; D837-P969 VanDerWaalsContact OD1-CG 3.29Å; D837-P969 WeakPolarHBondContact OD1-CG 3.44Å; P969-R971 VanDerWaalsContact C-N 3.32Å; P969-R971 PolarHBondContact O-N 2.99Å; P969-M972 HydrophobicContact CB-SD 4.46Å; P969-M972 HydrophobicContact CG-SD 4Å; P969-M972 PolarHBondContact O-N 2.92Å; P969-M972 VanDerWaalsContact O-N 3.13Å; P969-A973 PolarHBondContact O-N 3.33Å | ||
| 970 | R | 68.7 | Low | 75.9 | Confident | 89 Ų | 89 | 54 Ų | 54 | 34% | 0.336 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.2 | -40.5 | -170.2 | -170.7 | 172.2 | -176.6 | 119.1 | 1.4 | 113.6 | P818 A973 V974 H1045 | P818-R970 PolarHBondContact O-NH2 3.06Å; R970-A973 PolarHBondContact O-N 3.34Å; R970-V974 HydrophobicContact CG-CG2 4.49Å; R970-V974 WeakPolarHBondContact O-CG2 3.32Å; R970-V974 PolarHBondContact O-N 2.89Å; R970-H1045 PolarHBondContact NH1-O 3.21Å |
| 971 | R | 66.5 | Low | 75.7 | Confident | 218 Ų | 218 | 54.4 Ų | 54.4 | 82% | 0.823 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -58.1 | -51.9 | 177.7 | -71.7 | -175.3 | 178.5 | 174.8 | -2.2 | 111 | P969 A973 V974 D975 | P969-R971 VanDerWaalsContact C-N 3.32Å; P969-R971 PolarHBondContact O-N 2.99Å; R971-A973 VanDerWaalsContact C-N 3.3Å; R971-A973 PolarHBondContact O-N 3.43Å; R971-V974 PolarHBondContact O-N 2.89Å; R971-D975 VanDerWaalsContact O-CG 3.27Å; R971-D975 PolarHBondContact O-N 2.85Å |
| 972 | M | 67.2 | Low | 75.6 | Confident | 87 Ų | 87 | 53.4 Ų | 53.4 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.7 | -38.4 | 176.3 | -64.5 | 180 | 69.3 | 0 | 0 | 113 | P969 V974 D975 Q976 | P969-M972 HydrophobicContact CB-SD 4.46Å; P969-M972 HydrophobicContact CG-SD 4Å; P969-M972 PolarHBondContact O-N 2.92Å; P969-M972 VanDerWaalsContact O-N 3.13Å; M972-V974 VanDerWaalsContact C-N 3.3Å; M972-V974 PolarHBondContact O-N 2.82Å; M972-D975 PolarHBondContact O-N 2.84Å; M972-Q976 WeakPolarHBondContact O-CB 3.13Å; M972-Q976 PolarHBondContact O-N 2.7Å |
| 973 | A | 71.2 | Confident | 75.5 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.1 | -34.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L968 P969 R970 R971 L977 | L968-A973 HydrophobicContact CB-CB 4.37Å; P969-A973 PolarHBondContact O-N 3.33Å; R970-A973 PolarHBondContact O-N 3.34Å; R971-A973 VanDerWaalsContact C-N 3.3Å; R971-A973 PolarHBondContact O-N 3.43Å; A973-L977 WeakPolarHBondContact O-CA 3.16Å; A973-L977 PolarHBondContact O-N 3.5Å |
| 974 | V | 69.7 | Low | 75.6 | Confident | 79 Ų | 79 | 57.7 Ų | 57.7 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.8 | -48.2 | 174.9 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | L817 R970 R971 M972 Q976 L977 | L817-V974 HydrophobicContact CD1-CG2 3.9Å; R970-V974 HydrophobicContact CG-CG2 4.49Å; R970-V974 WeakPolarHBondContact O-CG2 3.32Å; R970-V974 PolarHBondContact O-N 2.89Å; R971-V974 PolarHBondContact O-N 2.89Å; M972-V974 VanDerWaalsContact C-N 3.3Å; M972-V974 PolarHBondContact O-N 2.82Å; V974-Q976 VanDerWaalsContact C-N 3.25Å; V974-Q976 PolarHBondContact O-N 2.8Å; V974-L977 PolarHBondContact O-N 3.08Å |
| 975 | D | 67.8 | Low | 75.9 | Confident | 120 Ų | 120 | 59.6 Ų | 59.6 | 64% | 0.642 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.6 | -24 | -176.3 | -63.4 | -21 | 0 | 0 | 0 | 113.5 | R971 M972 | R971-D975 VanDerWaalsContact O-CG 3.27Å; R971-D975 PolarHBondContact O-N 2.85Å; M972-D975 PolarHBondContact O-N 2.84Å |
| 976 | Q | 72.2 | Confident | 76.4 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 26.1 | -176 | -58.5 | -68.7 | -70.3 | 0 | 0 | 112.5 | M972 V974 N978 R979 T980 | M972-Q976 WeakPolarHBondContact O-CB 3.13Å; M972-Q976 PolarHBondContact O-N 2.7Å; V974-Q976 VanDerWaalsContact C-N 3.25Å; V974-Q976 PolarHBondContact O-N 2.8Å; Q976-N978 VanDerWaalsContact C-N 3.32Å; Q976-N978 PolarHBondContact O-N 2.98Å; Q976-N978 VanDerWaalsContact O-N 3.16Å; Q976-R979 PolarHBondContact O-N 3.21Å; Q976-T980 PolarHBondContact O-N 3.29Å; Q976-T980 VanDerWaalsContact O-N 3.12Å |
| 977 | L | 71.5 | Confident | 77 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -46.5 | -50.7 | -172.6 | -159.9 | 86.4 | 0 | 0 | 0 | 113.1 | L814 L817 Y963 A973 V974 R979 T980 L981 | L814-L977 HydrophobicContact CB-CD2 3.75Å; L814-L977 HydrophobicContact CD1-CD2 4.11Å; L814-L977 HydrophobicContact CD2-CD2 4.01Å; L814-L977 HydrophobicContact CG-CD2 4.14Å; L817-L977 HydrophobicContact CD1-CD1 3.36Å; L817-L977 HydrophobicContact CD2-CD1 4.31Å; L817-L977 HydrophobicContact CG-CD1 3.73Å; Y963-L977 HydrophobicContact CE2-CD1 4Å; A973-L977 WeakPolarHBondContact O-CA 3.16Å; A973-L977 PolarHBondContact O-N 3.5Å; V974-L977 PolarHBondContact O-N 3.08Å; L977-R979 VanDerWaalsContact C-N 3.26Å; L977-R979 PolarHBondContact O-N 3.05Å; L977-T980 PolarHBondContact O-N 2.71Å; L977-T980 VanDerWaalsContact O-N 3.09Å; L977-T980 PolarHBondContact O-OG1 3.37Å; L977-L981 PolarHBondContact O-N 3.42Å |
| 978 | N | 73.3 | Confident | 77.4 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.3 | -33 | -179.3 | -63 | 20 | 0 | 0 | 0 | 113 | L814 Q976 | L814-N978 WeakPolarHBondContact CD1-OD1 3.13Å; L814-N978 HydrophobicContact CD2-CB 4.45Å; L814-N978 WeakPolarHBondContact CD2-OD1 3.43Å; Q976-N978 VanDerWaalsContact C-N 3.32Å; Q976-N978 PolarHBondContact O-N 2.98Å; Q976-N978 VanDerWaalsContact O-N 3.16Å |
| 979 | R | 76.4 | Confident | 77.7 | Confident | 194 Ų | 194 | 69.9 Ų | 69.9 | 73% | 0.732 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -81.9 | -22.2 | -180 | -64.1 | 178.1 | 74.8 | -171.6 | 5.7 | 112.6 | Q976 L977 L981 | Q976-R979 PolarHBondContact O-N 3.21Å; L977-R979 VanDerWaalsContact C-N 3.26Å; L977-R979 PolarHBondContact O-N 3.05Å; R979-L981 VanDerWaalsContact C-N 3.31Å |
| 980 | T | 79.6 | Confident | 77.6 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -83.7 | -7.3 | 176.4 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | Y963 V964 L968 Q976 L977 | Y963-T980 WeakPolarHBondContact CA-O 3.27Å; Y963-T980 WeakPolarHBondContact CD2-OG1 3.18Å; Y963-T980 WeakPolarHBondContact CE2-OG1 3.45Å; V964-T980 WeakPolarHBondContact CG2-O 3.35Å; V964-T980 PolarHBondContact N-O 3.05Å; L968-T980 HydrophobicContact CD1-CG2 3.63Å; Q976-T980 PolarHBondContact O-N 3.29Å; Q976-T980 VanDerWaalsContact O-N 3.12Å; L977-T980 PolarHBondContact O-N 2.71Å; L977-T980 VanDerWaalsContact O-N 3.09Å; L977-T980 PolarHBondContact O-OG1 3.37Å |
| 981 | L | 85.1 | Confident | 77.4 | Confident | 21 Ų | 21 | 66.8 Ų | 66.8 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 105.6 | 178.4 | -168.4 | 64.9 | 0 | 0 | 0 | 109.6 | Y918 I925 Q961 L977 R979 | Y918-L981 HydrophobicContact CD2-CD1 4.46Å; I925-L981 HydrophobicContact CD1-CD1 4.24Å; I925-L981 HydrophobicContact CD1-CD2 3.74Å; Q961-L981 HydrophobicContact CB-CD1 3.83Å; Q961-L981 HydrophobicContact CB-CG 4.02Å; Q961-L981 HydrophobicContact CG-CG 4.46Å; Q961-L981 VanDerWaalsContact OE1-CG 3.3Å; L977-L981 PolarHBondContact O-N 3.42Å; R979-L981 VanDerWaalsContact C-N 3.31Å |
| 982 | I | 88.1 | Confident | 77.2 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.4 | -170.4 | -55.4 | 173.3 | 0 | 0 | 0 | 110.1 | Q961 V962 V964 L1009 H1011 V1013 | Q961-I982 CarbonylContact C-O 3.56Å; Q961-I982 WeakPolarHBondContact CA-O 3.26Å; V962-I982 PolarHBondContact N-O 3.43Å; V962-I982 PolarHBondContact O-N 2.95Å; V964-I982 HydrophobicContact CG1-CD1 4.29Å; V964-I982 HydrophobicContact CG2-CD1 4.06Å; I982-L1009 HydrophobicContact CD1-CD1 4.33Å; I982-L1009 HydrophobicContact CG2-CB 3.84Å; I982-L1009 HydrophobicContact CG2-CD1 4.38Å; I982-L1009 HydrophobicContact CG2-CD2 4.44Å; I982-L1009 HydrophobicContact CG2-CG 4.45Å; I982-H1011 HydrophobicContact CG2-CB 3.88Å; I982-V1013 HydrophobicContact CD1-CG2 3.46Å; I982-V1013 VanDerWaalsContact CD1-CG2 3.46Å |
| 983 | E | 89.9 | Confident | 76.8 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 143 | 175.4 | -64.7 | -170.2 | 158.5 | 0 | 0 | 113 | Q961 K1010 | Q961-E983 HydrophobicContact CG-CG 4.01Å; E983-K1010 HydrophobicContact CB-CD 3.89Å; E983-K1010 HydrophobicContact CB-CG 4.22Å; E983-K1010 PolarHBondContact O-N 3.05Å; E983-K1010 WeakPolarHBondContact OE2-CD 3.2Å; E983-K1010 WeakPolarHBondContact OE2-CE 3.12Å; E983-K1010 IonicContact OE2-NZ 3.66Å; E983-K1010 PolarHBondContact OE2-NZ 3.18Å |
| 984 | V | 90.7 | Very high | 75.9 | Confident | 22 Ų | 22 | 61 Ų | 61 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 122 | 172.6 | 180 | 0 | 0 | 0 | 0 | 109.4 | Y960 V962 K986 I987 L1007 L1009 | Y960-V984 WeakPolarHBondContact O-CG2 3.04Å; Y960-V984 PolarHBondContact O-N 3.32Å; V962-V984 HydrophobicContact CG2-CG2 3.86Å; V984-K986 WeakPolarHBondContact CG1-O 3.42Å; V984-I987 HydrophobicContact CG1-CG1 3.75Å; V984-L1007 HydrophobicContact CG1-CB 4.14Å; V984-L1007 HydrophobicContact CG1-CD2 4.29Å; V984-L1007 HydrophobicContact CG2-CB 4.38Å; V984-L1007 HydrophobicContact CG2-CD1 4.28Å; V984-L1009 HydrophobicContact CG2-CD2 4.36Å |
| 985 | A | 88.7 | Confident | 75.2 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1008 K1010 | A985-K1008 WeakPolarHBondContact CA-O 3.2Å; A985-K1008 WeakPolarHBondContact CB-O 3.34Å; A985-K1008 PolarHBondContact N-O 2.86Å; A985-K1010 HydrophobicContact CB-CB 4.46Å; A985-K1010 HydrophobicContact CB-CG 3.61Å |
| 986 | K | 88.3 | Confident | 74.7 | Confident | 122 Ų | 122 | 59.4 Ų | 59.4 | 53% | 0.53 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 146.6 | -177.8 | -61.5 | -173.9 | 179.2 | -172.2 | 0 | 110.4 | V984 Y988 K1008 | V984-K986 WeakPolarHBondContact CG1-O 3.42Å; K986-Y988 HydrophobicContact CB-CE2 3.83Å; K986-Y988 VanDerWaalsContact CD-OH 3.3Å; K986-Y988 WeakPolarHBondContact CD-OH 3.25Å; K986-K1008 HydrophobicContact CB-CB 4.18Å; K986-K1008 PolarHBondContact N-O 2.85Å; K986-K1008 PolarHBondContact O-N 2.97Å |
| 987 | I | 87.3 | Confident | 74 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.8 | 177.4 | -58.5 | 171 | 0 | 0 | 0 | 106.7 | V952 Y960 V984 T1005 L1007 | V952-I987 HydrophobicContact CG1-CD1 3.91Å; V952-I987 HydrophobicContact CG1-CG1 4.45Å; V952-I987 HydrophobicContact CG1-CG2 3.83Å; Y960-I987 HydrophobicContact CD2-CD1 3.54Å; Y960-I987 HydrophobicContact CE2-CD1 3.63Å; V984-I987 HydrophobicContact CG1-CG1 3.75Å; I987-T1005 HydrophobicContact CG2-CG2 3.64Å; I987-L1007 HydrophobicContact CB-CD2 4.34Å; I987-L1007 HydrophobicContact CG1-CD2 3.93Å; I987-L1007 HydrophobicContact CG2-CD2 3.97Å |
| 988 | Y | 83.6 | Confident | 73.3 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 98.9 | 173.4 | -55.6 | -85.6 | 0 | 0 | 0 | 108.3 | K986 T1005 M1006 K1008 V1144 | K986-Y988 HydrophobicContact CB-CE2 3.83Å; K986-Y988 VanDerWaalsContact CD-OH 3.3Å; K986-Y988 WeakPolarHBondContact CD-OH 3.25Å; Y988-T1005 WeakPolarHBondContact O-CA 3.06Å; Y988-M1006 PolarHBondContact N-O 3.35Å; Y988-M1006 PolarHBondContact O-N 3.35Å; Y988-K1008 HydrophobicContact CE2-CB 4.05Å; Y988-K1008 HydrophobicContact CE2-CD 4.43Å; Y988-V1144 HydrophobicContact CG-CG1 4.32Å |
| 989 | N | 77.6 | Confident | 72.8 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 18% | 0.176 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.9 | 176.1 | -174.8 | 9.6 | 0 | 0 | 0 | 109.6 | S949 P954 T1005 | S949-N989 VanDerWaalsContact CB-OD1 3.23Å; S949-N989 WeakPolarHBondContact CB-OD1 3.24Å; S949-N989 PolarHBondContact OG-OD1 2.85Å; P954-N989 HydrophobicContact CB-CB 4.28Å; P954-N989 WeakPolarHBondContact CD-ND2 3.49Å; P954-N989 VanDerWaalsContact CG-ND2 3.35Å; P954-N989 WeakPolarHBondContact CG-ND2 3.36Å; N989-T1005 HydrophobicContact CB-CG2 4.39Å; N989-T1005 VanDerWaalsContact CG-OG1 3.31Å; N989-T1005 PolarHBondContact OD1-OG1 3.45Å |
| 990 | T | 66.7 | Low | 72.2 | Confident | 18 Ų | 18 | 59 Ų | 59 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 92.6 | 170.1 | 43.6 | 0 | 0 | 0 | 0 | 108.6 | F992 M1004 V1144 F1147 | T990-F992 PolarHBondContact O-N 2.78Å; T990-M1004 PolarHBondContact N-O 2.64Å; T990-M1004 VanDerWaalsContact N-O 3.08Å; T990-M1004 PolarHBondContact O-N 2.81Å; T990-M1004 PolarHBondContact OG1-O 2.78Å; T990-V1144 HydrophobicContact CG2-CB 4.27Å; T990-V1144 HydrophobicContact CG2-CG1 4.13Å; T990-V1144 HydrophobicContact CG2-CG2 4.03Å; T990-V1144 VanDerWaalsContact OG1-CG2 3.26Å; T990-V1144 WeakPolarHBondContact OG1-CG2 3.36Å; T990-F1147 HydrophobicContact CG2-CD2 3.97Å; T990-F1147 HydrophobicContact CG2-CE2 4.37Å |
| 991 | P | 63.6 | Low | 71.8 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 128.8 | 163.6 | 25.1 | -30.5 | 0 | 0 | 0 | 108.3 | Y993 E994 K1000 | P991-Y993 PolarHBondContact O-N 3.16Å; P991-Y993 VanDerWaalsContact O-N 3.11Å; P991-E994 HydrophobicContact CG-CB 4Å; P991-E994 HydrophobicContact CG-CG 4.11Å; P991-K1000 VanDerWaalsContact CB-O 3.24Å; P991-K1000 WeakPolarHBondContact CB-O 2.98Å |
| 992 | F | 62.6 | Low | 71.2 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 13% | 0.132 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.9 | -174.8 | -71.4 | -52.9 | 0 | 0 | 0 | 112.7 | T990 V1002 M1004 I1134 | T990-F992 PolarHBondContact O-N 2.78Å; F992-V1002 PolarHBondContact N-O 3.3Å; F992-V1002 VanDerWaalsContact N-O 3.12Å; F992-M1004 HydrophobicContact CE1-CE 3.64Å; F992-M1004 HydrophobicContact CE1-CG 3.98Å; F992-M1004 HydrophobicContact CE1-SD 4.14Å; F992-M1004 HydrophobicContact CE2-CB 4.22Å; F992-M1004 HydrophobicContact CE2-CG 4.15Å; F992-M1004 HydrophobicContact CZ-CB 3.97Å; F992-M1004 HydrophobicContact CZ-CE 3.87Å; F992-M1004 HydrophobicContact CZ-CG 3.47Å; F992-M1004 VanDerWaalsContact CZ-CG 3.47Å; F992-M1004 HydrophobicContact CZ-SD 3.72Å; F992-I1134 HydrophobicContact CD2-CG2 3.57Å; F992-I1134 HydrophobicContact CE2-CG2 3.36Å |
| 993 | Y | 58.3 | Low | 70.8 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | 42.6 | -166.1 | -55.9 | -59.2 | 0 | 0 | 0 | 111.6 | P497 P991 G995 Y996 L999 A1073 | P497-Y993 HydrophobicContact CB-CD1 3.56Å; P497-Y993 HydrophobicContact CB-CE1 3.07Å; P497-Y993 HydrophobicContact CB-CG 4.48Å; P497-Y993 HydrophobicContact CG-CD1 3.47Å; P497-Y993 VanDerWaalsContact CG-CD1 3.47Å; P497-Y993 HydrophobicContact CG-CE1 3.22Å; P991-Y993 PolarHBondContact O-N 3.16Å; P991-Y993 VanDerWaalsContact O-N 3.11Å; Y993-G995 PolarHBondContact O-N 3.38Å; Y993-Y996 PolarHBondContact O-N 2.88Å; Y993-L999 VanDerWaalsContact CB-CB 3.49Å; Y993-L999 HydrophobicContact CD2-CB 4.12Å; Y993-L999 HydrophobicContact CD2-CD1 3.86Å; Y993-L999 HydrophobicContact CG-CB 4.18Å; Y993-L999 HydrophobicContact CG-CD1 3.83Å; Y993-A1073 HydrophobicContact CE2-CB 3.45Å; Y993-A1073 VanDerWaalsContact CE2-CB 3.45Å; Y993-A1073 VanDerWaalsContact OH-CB 3.27Å; Y993-A1073 WeakPolarHBondContact OH-CB 3.05Å |
| 994 | E | 53.6 | Low | 70.6 | Confident | 135 Ų | 135 | 59.4 Ų | 59.4 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -34.8 | -178.1 | -164.2 | 170.4 | -166.5 | 0 | 0 | 114 | P991 Y996 K1000 | P991-E994 HydrophobicContact CG-CB 4Å; P991-E994 HydrophobicContact CG-CG 4.11Å; E994-Y996 PolarHBondContact O-N 2.77Å; E994-K1000 WeakPolarHBondContact O-CE 3.04Å |
| 995 | G | 53.9 | Low | 70.4 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 77% | 0.773 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 0.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y993 | Y993-G995 PolarHBondContact O-N 3.38Š|
| 996 | Y | 56.9 | Low | 70.4 | Confident | 90 Ų | 90 | 56 Ų | 56 | 35% | 0.353 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -123.1 | 112 | 179 | -63.9 | -73.3 | 0 | 0 | 0 | 110 | P496 P497 F498 Y993 E994 V998 L999 K1000 | P496-Y996 WeakPolarHBondContact CB-OH 3.26Å; P497-Y996 HydrophobicContact CG-CE2 4.42Å; F498-Y996 AromaticContact CD1-CD1 3.83Å; F498-Y996 HydrophobicContact CD1-CD1 3.83Å; F498-Y996 AromaticContact CD1-CE1 3.79Å; F498-Y996 HydrophobicContact CD1-CE1 3.79Å; F498-Y996 HydrophobicContact CD1-CG 4.3Å; F498-Y996 AromaticContact CE1-CD1 3.6Å; F498-Y996 HydrophobicContact CE1-CD1 3.6Å; F498-Y996 AromaticContact CE1-CE1 3.2Å; F498-Y996 HydrophobicContact CE1-CE1 3.2Å; F498-Y996 HydrophobicContact CE1-CG 4.47Å; F498-Y996 AromaticContact CE1-CZ 3.73Å; F498-Y996 HydrophobicContact CZ-CE1 4.22Å; Y993-Y996 PolarHBondContact O-N 2.88Å; E994-Y996 PolarHBondContact O-N 2.77Å; Y996-V998 PolarHBondContact O-N 3.38Å; Y996-V998 VanDerWaalsContact O-N 3.08Å; Y996-L999 CarbonylContact O-C 3.43Å; Y996-L999 WeakPolarHBondContact O-CA 3.4Å; Y996-L999 PolarHBondContact O-N 3.11Å; Y996-K1000 PolarHBondContact O-N 3.5Å |
| 997 | D | 59 | Low | 70.6 | Confident | 127 Ų | 127 | 50.2 Ų | 50.2 | 68% | 0.679 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -51.3 | -39.6 | -175.1 | -67.1 | -41.3 | 0 | 0 | 0 | 113.4 | L999 K1000 | D997-L999 PolarHBondContact O-N 3.43Å; D997-K1000 WeakPolarHBondContact OD1-CE 3.28Å; D997-K1000 IonicContact OD1-NZ 3.92Å; D997-K1000 PolarHBondContact OD1-NZ 3.17Å |
| 998 | V | 57.1 | Low | 70.7 | Confident | 138 Ų | 138 | 50.9 Ų | 50.9 | 84% | 0.836 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -68.2 | -16.8 | -179.1 | -166.3 | 0 | 0 | 0 | 0 | 112.7 | Y996 | Y996-V998 PolarHBondContact O-N 3.38Å; Y996-V998 VanDerWaalsContact O-N 3.08Å |
| 999 | L | 62.1 | Low | 71.1 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -122.9 | 9.3 | -171.8 | -57.1 | 174.3 | 0 | 0 | 0 | 114.1 | F498 Y993 Y996 D997 E1001 V1002 L1070 M1074 | F498-L999 HydrophobicContact CB-CD1 4.34Å; Y993-L999 VanDerWaalsContact CB-CB 3.49Å; Y993-L999 HydrophobicContact CD2-CB 4.12Å; Y993-L999 HydrophobicContact CD2-CD1 3.86Å; Y993-L999 HydrophobicContact CG-CB 4.18Å; Y993-L999 HydrophobicContact CG-CD1 3.83Å; Y996-L999 CarbonylContact O-C 3.43Å; Y996-L999 WeakPolarHBondContact O-CA 3.4Å; Y996-L999 PolarHBondContact O-N 3.11Å; D997-L999 PolarHBondContact O-N 3.43Å; L999-E1001 PolarHBondContact O-N 3.08Å; L999-V1002 HydrophobicContact CB-CB 4.5Å; L999-V1002 HydrophobicContact CD2-CB 4.38Å; L999-V1002 HydrophobicContact CD2-CG2 3.99Å; L999-V1002 PolarHBondContact O-N 3.08Å; L999-L1070 HydrophobicContact CD1-CD1 3.39Å; L999-L1070 HydrophobicContact CD2-CD1 3.27Å; L999-L1070 HydrophobicContact CD2-CG 4.45Å; L999-L1070 HydrophobicContact CG-CD1 3.89Å; L999-M1074 HydrophobicContact CD2-CE 4.41Å |
| 1000 | K | 64.2 | Low | 71.6 | Confident | 107 Ų | 107 | 52.5 Ų | 52.5 | 47% | 0.465 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.7 | 177.1 | -74.9 | 179 | 171.8 | 170.6 | 0 | 113.5 | P991 E994 Y996 D997 | P991-K1000 VanDerWaalsContact CB-O 3.24Å; P991-K1000 WeakPolarHBondContact CB-O 2.98Å; E994-K1000 WeakPolarHBondContact O-CE 3.04Å; Y996-K1000 PolarHBondContact O-N 3.5Å; D997-K1000 WeakPolarHBondContact OD1-CE 3.28Å; D997-K1000 IonicContact OD1-NZ 3.92Å; D997-K1000 PolarHBondContact OD1-NZ 3.17Å |
| 1001 | E | 69.5 | Low | 72.5 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -13.4 | 178.3 | -60.2 | 179.1 | 164.4 | 0 | 0 | 113.2 | R950 L999 G1003 | R950-E1001 IonicContact CZ-OE2 3.01Å; R950-E1001 PolarHBondContact N-O 3.02Å; R950-E1001 IonicContact NH1-OE2 2.69Å; R950-E1001 PolarHBondContact NH1-OE2 3.41Å; R950-E1001 IonicContact NH2-OE2 3.85Å; R950-E1001 PolarHBondContact NH2-OE2 3.23Å; L999-E1001 PolarHBondContact O-N 3.08Å; E1001-G1003 PolarHBondContact O-N 2.8Å |
| 1002 | V | 74.6 | Confident | 73.5 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | trans | -89.4 | 109.7 | -176 | -178.5 | 0 | 0 | 0 | 0 | 109 | F992 L999 M1074 I1134 | F992-V1002 PolarHBondContact N-O 3.3Å; F992-V1002 VanDerWaalsContact N-O 3.12Å; L999-V1002 HydrophobicContact CB-CB 4.5Å; L999-V1002 HydrophobicContact CD2-CB 4.38Å; L999-V1002 HydrophobicContact CD2-CG2 3.99Å; L999-V1002 PolarHBondContact O-N 3.08Å; V1002-M1074 HydrophobicContact CB-CE 4.49Å; V1002-M1074 HydrophobicContact CG1-CE 3.77Å; V1002-M1074 HydrophobicContact CG2-CE 3.93Å; V1002-I1134 HydrophobicContact CG1-CD1 3.79Å; V1002-I1134 HydrophobicContact CG1-CG1 3.8Å; V1002-I1134 HydrophobicContact CG1-CG2 4.41Å | ||
| 1003 | G | 79 | Confident | 74.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.9 | -171.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S949 E1001 I1134 | S949-G1003 PolarHBondContact N-O 2.95Å; S949-G1003 VanDerWaalsContact OG-CA 3.24Å; S949-G1003 WeakPolarHBondContact OG-CA 3.28Å; E1001-G1003 PolarHBondContact O-N 2.8Å; G1003-I1134 VanDerWaalsContact O-CD1 3.26Å; G1003-I1134 WeakPolarHBondContact O-CD1 3.36Å |
| 1004 | M | 84.9 | Confident | 75 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 148.3 | 166.9 | 65.6 | 175.5 | 173.3 | 0 | 0 | 110.2 | T947 S949 T990 F992 I1105 L1136 D1140 V1144 | T947-M1004 WeakPolarHBondContact O-CA 3.46Å; S949-M1004 PolarHBondContact OG-N 3.43Å; S949-M1004 PolarHBondContact OG-O 3.2Å; T990-M1004 PolarHBondContact N-O 2.64Å; T990-M1004 VanDerWaalsContact N-O 3.08Å; T990-M1004 PolarHBondContact O-N 2.81Å; T990-M1004 PolarHBondContact OG1-O 2.78Å; F992-M1004 HydrophobicContact CE1-CE 3.64Å; F992-M1004 HydrophobicContact CE1-CG 3.98Å; F992-M1004 HydrophobicContact CE1-SD 4.14Å; F992-M1004 HydrophobicContact CE2-CB 4.22Å; F992-M1004 HydrophobicContact CE2-CG 4.15Å; F992-M1004 HydrophobicContact CZ-CB 3.97Å; F992-M1004 HydrophobicContact CZ-CE 3.87Å; F992-M1004 HydrophobicContact CZ-CG 3.47Å; F992-M1004 VanDerWaalsContact CZ-CG 3.47Å; F992-M1004 HydrophobicContact CZ-SD 3.72Å; M1004-I1105 HydrophobicContact CB-CD1 3.89Å; M1004-L1136 HydrophobicContact CB-CD2 4.43Å; M1004-L1136 HydrophobicContact SD-CD2 3.94Å; M1004-D1140 HydrophobicContact CE-CB 3.32Å; M1004-D1140 HydrophobicContact SD-CB 3.74Å; M1004-V1144 HydrophobicContact CE-CG2 3.03Å; M1004-V1144 HydrophobicContact SD-CG2 4.14Å |
| 1005 | T | 87.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.1 | 169.1 | -67.6 | 0 | 0 | 0 | 0 | 109.2 | T947 S949 V952 I987 Y988 N989 L1007 | T947-T1005 HydrophobicContact CG2-CG2 4.5Å; T947-T1005 PolarHBondContact N-O 3.1Å; T947-T1005 PolarHBondContact O-N 3.19Å; S949-T1005 WeakPolarHBondContact CA-OG1 3.31Å; S949-T1005 PolarHBondContact OG-OG1 3.42Å; V952-T1005 HydrophobicContact CB-CG2 4.07Å; V952-T1005 HydrophobicContact CG1-CG2 4.34Å; V952-T1005 PolarHBondContact O-OG1 3.33Å; I987-T1005 HydrophobicContact CG2-CG2 3.64Å; Y988-T1005 WeakPolarHBondContact O-CA 3.06Å; N989-T1005 HydrophobicContact CB-CG2 4.39Å; N989-T1005 VanDerWaalsContact CG-OG1 3.31Å; N989-T1005 PolarHBondContact OD1-OG1 3.45Å; T1005-L1007 HydrophobicContact CG2-CD2 3.75Å |
| 1006 | M | 89 | Confident | 75.8 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.4 | 171.1 | -177.3 | 67.3 | 88.6 | 0 | 0 | 109.1 | Y934 E944 V945 L946 Y988 V1141 V1144 | Y934-M1006 HydrophobicContact CD1-CE 3.92Å; Y934-M1006 HydrophobicContact CG-CE 4.2Å; E944-M1006 HydrophobicContact CB-CE 4.21Å; E944-M1006 HydrophobicContact CB-SD 3.75Å; E944-M1006 HydrophobicContact CG-SD 4.43Å; V945-M1006 VanDerWaalsContact C-SD 3.56Å; V945-M1006 CarbonylContact O-C 3.58Å; V945-M1006 WeakPolarHBondContact O-CA 3.2Å; V945-M1006 VanDerWaalsContact O-SD 3.36Å; L946-M1006 HydrophobicContact CD1-CE 4.3Å; L946-M1006 HydrophobicContact CD2-CB 4.36Å; L946-M1006 HydrophobicContact CD2-CE 3.25Å; L946-M1006 HydrophobicContact CD2-SD 3.67Å; L946-M1006 HydrophobicContact CG-CE 3.59Å; L946-M1006 HydrophobicContact CG-SD 3.88Å; Y988-M1006 PolarHBondContact N-O 3.35Å; Y988-M1006 PolarHBondContact O-N 3.35Å; M1006-V1141 HydrophobicContact CE-CB 4.2Å; M1006-V1141 HydrophobicContact CE-CG1 3.48Å; M1006-V1141 VanDerWaalsContact CE-CG1 3.48Å; M1006-V1141 HydrophobicContact CE-CG2 3.71Å; M1006-V1144 HydrophobicContact CB-CG1 4.11Å |
| 1007 | L | 90.8 | Very high | 75.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130 | 173.4 | -50.7 | 177.8 | 0 | 0 | 0 | 108.7 | I917 E944 V945 T947 V952 V962 V984 I987 T1005 | I917-L1007 HydrophobicContact CD1-CD1 3.7Å; I917-L1007 HydrophobicContact CG1-CD1 4Å; I917-L1007 HydrophobicContact CG2-CD1 4.34Å; E944-L1007 WeakPolarHBondContact CA-O 3.44Å; V945-L1007 HydrophobicContact CB-CB 4.27Å; V945-L1007 PolarHBondContact N-O 3.39Å; V945-L1007 PolarHBondContact O-N 3.28Å; T947-L1007 HydrophobicContact CG2-CD1 4.45Å; V952-L1007 HydrophobicContact CB-CD2 4.3Å; V952-L1007 HydrophobicContact CG1-CD2 3.95Å; V952-L1007 HydrophobicContact CG2-CD1 4.34Å; V952-L1007 HydrophobicContact CG2-CD2 4.21Å; V962-L1007 HydrophobicContact CG2-CD1 4.14Å; V984-L1007 HydrophobicContact CG1-CB 4.14Å; V984-L1007 HydrophobicContact CG1-CD2 4.29Å; V984-L1007 HydrophobicContact CG2-CB 4.38Å; V984-L1007 HydrophobicContact CG2-CD1 4.28Å; I987-L1007 HydrophobicContact CB-CD2 4.34Å; I987-L1007 HydrophobicContact CG1-CD2 3.93Å; I987-L1007 HydrophobicContact CG2-CD2 3.97Å; T1005-L1007 HydrophobicContact CG2-CD2 3.75Å |
| 1008 | K | 90.7 | Very high | 75.2 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.7 | 170.6 | -173 | 164 | -173.2 | 155.7 | 0 | 109.4 | D943 A985 K986 Y988 | D943-K1008 CarbonylContact O-C 3.53Å; D943-K1008 VanDerWaalsContact O-CA 3.31Å; D943-K1008 WeakPolarHBondContact O-CA 3.48Å; D943-K1008 WeakPolarHBondContact OD2-CE 3.37Å; D943-K1008 IonicContact OD2-NZ 3.83Å; A985-K1008 WeakPolarHBondContact CA-O 3.2Å; A985-K1008 WeakPolarHBondContact CB-O 3.34Å; A985-K1008 PolarHBondContact N-O 2.86Å; K986-K1008 HydrophobicContact CB-CB 4.18Å; K986-K1008 PolarHBondContact N-O 2.85Å; K986-K1008 PolarHBondContact O-N 2.97Å; Y988-K1008 HydrophobicContact CE2-CB 4.05Å; Y988-K1008 HydrophobicContact CE2-CD 4.43Å |
| 1009 | L | 91 | Very high | 75.2 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 149.9 | -179.3 | -56.5 | -176.2 | 0 | 0 | 0 | 111.1 | D943 V945 V962 I982 V984 H1011 V1013 | D943-L1009 HydrophobicContact CB-CB 4.28Å; D943-L1009 PolarHBondContact O-N 3.33Å; V945-L1009 HydrophobicContact CG2-CD1 3.98Å; V945-L1009 HydrophobicContact CG2-CD2 4.28Å; V945-L1009 HydrophobicContact CG2-CG 4.22Å; V962-L1009 HydrophobicContact CB-CD2 3.8Å; V962-L1009 HydrophobicContact CG1-CD2 4.48Å; V962-L1009 HydrophobicContact CG2-CD2 3.59Å; I982-L1009 HydrophobicContact CD1-CD1 4.33Å; I982-L1009 HydrophobicContact CG2-CB 3.84Å; I982-L1009 HydrophobicContact CG2-CD1 4.38Å; I982-L1009 HydrophobicContact CG2-CD2 4.44Å; I982-L1009 HydrophobicContact CG2-CG 4.45Å; V984-L1009 HydrophobicContact CG2-CD2 4.36Å; L1009-H1011 VanDerWaalsContact C-N 3.3Å; L1009-H1011 WeakPolarHBondContact CB-O 3.41Å; L1009-V1013 HydrophobicContact CD1-CG2 3.93Å |
| 1010 | K | 88.5 | Confident | 75.1 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -31 | 171.8 | -74.8 | -167.7 | -175.9 | 175 | 0 | 112.5 | E983 A985 | E983-K1010 HydrophobicContact CB-CD 3.89Å; E983-K1010 HydrophobicContact CB-CG 4.22Å; E983-K1010 PolarHBondContact O-N 3.05Å; E983-K1010 WeakPolarHBondContact OE2-CD 3.2Å; E983-K1010 WeakPolarHBondContact OE2-CE 3.12Å; E983-K1010 IonicContact OE2-NZ 3.66Å; E983-K1010 PolarHBondContact OE2-NZ 3.18Å; A985-K1010 HydrophobicContact CB-CB 4.46Å; A985-K1010 HydrophobicContact CB-CG 3.61Å |
| 1011 | H | 86.2 | Confident | 75 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.6 | -179.9 | -57.6 | 98.7 | 0 | 0 | 0 | 110.8 | I982 L1009 | I982-H1011 HydrophobicContact CG2-CB 3.88Å; L1009-H1011 VanDerWaalsContact C-N 3.3Å; L1009-H1011 WeakPolarHBondContact CB-O 3.41Å |
| 1012 | R | 84.2 | Confident | 75.1 | Confident | 178 Ų | 178 | 49.6 Ų | 49.6 | 67% | 0.672 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 138.7 | 176.6 | -72.3 | -179.8 | 177.1 | -178.3 | 3.8 | 110.8 | D943 | D943-R1012 HydrophobicContact CB-CG 3.96Å |
| 1013 | V | 79.2 | Confident | 75.1 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.3 | 176.1 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | L933 Y941 S942 V964 I982 L1009 | L933-V1013 HydrophobicContact CD1-CB 4.32Å; L933-V1013 HydrophobicContact CD1-CG2 4.38Å; L933-V1013 HydrophobicContact CD2-CB 4.08Å; L933-V1013 HydrophobicContact CD2-CG1 3.91Å; Y941-V1013 CarbonylContact C-O 3.59Å; Y941-V1013 VanDerWaalsContact CA-O 3.28Å; Y941-V1013 WeakPolarHBondContact CA-O 3.32Å; S942-V1013 PolarHBondContact N-O 3.45Å; S942-V1013 PolarHBondContact O-N 2.85Å; V964-V1013 HydrophobicContact CG1-CG2 4.01Å; V964-V1013 HydrophobicContact CG2-CG2 4.44Å; I982-V1013 HydrophobicContact CD1-CG2 3.46Å; I982-V1013 VanDerWaalsContact CD1-CG2 3.46Å; L1009-V1013 HydrophobicContact CD1-CG2 3.93Å |
| 1014 | K | 72.3 | Confident | 74.9 | Confident | 111 Ų | 111 | 52.3 Ų | 52.3 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.2 | 174 | -167.9 | 173.9 | -177.2 | 178.5 | 0 | 109.7 | Y941 I1016 | Y941-K1014 HydrophobicContact CD1-CB 3.82Å; Y941-K1014 HydrophobicContact CD1-CG 4.13Å; Y941-K1014 HydrophobicContact CE1-CB 3.49Å; Y941-K1014 VanDerWaalsContact CE1-CB 3.49Å; Y941-K1014 HydrophobicContact CE1-CD 3.99Å; Y941-K1014 HydrophobicContact CE1-CG 3.57Å; K1014-I1016 HydrophobicContact CB-CG2 4.43Å; K1014-I1016 HydrophobicContact CD-CG2 4.18Å; K1014-I1016 HydrophobicContact CG-CG2 4.1Å; K1014-I1016 PolarHBondContact O-N 2.92Å; K1014-I1016 VanDerWaalsContact O-N 3.17Å |
| 1015 | V | 66.8 | Low | 74.4 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | trans | -84 | 90.7 | 174.1 | -175.4 | 0 | 0 | 0 | 0 | 107 | L933 T935 E940 I1019 P1021 | L933-V1015 HydrophobicContact CD2-CG2 4.38Å; T935-V1015 HydrophobicContact CG2-CG2 3.81Å; T935-V1015 VanDerWaalsContact OG1-CG2 3.3Å; T935-V1015 WeakPolarHBondContact OG1-CG2 3.24Å; E940-V1015 WeakPolarHBondContact O-CB 2.98Å; E940-V1015 PolarHBondContact O-N 3.48Å; V1015-I1019 HydrophobicContact CG1-CB 4.11Å; V1015-I1019 HydrophobicContact CG1-CG2 4.08Å; V1015-I1019 WeakPolarHBondContact CG1-O 3.38Å; V1015-P1021 HydrophobicContact CG1-CG 4.25Å | ||
| 1016 | I | 58.2 | Low | 73.4 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | trans | -79.7 | 162.8 | 176.1 | 59.6 | 170.3 | 0 | 0 | 0 | 111.2 | L968 K1014 G1018 I1019 | L968-I1016 HydrophobicContact CD2-CD1 4.15Å; K1014-I1016 HydrophobicContact CB-CG2 4.43Å; K1014-I1016 HydrophobicContact CD-CG2 4.18Å; K1014-I1016 HydrophobicContact CG-CG2 4.1Å; K1014-I1016 PolarHBondContact O-N 2.92Å; K1014-I1016 VanDerWaalsContact O-N 3.17Å; I1016-G1018 PolarHBondContact O-N 3.04Å; I1016-G1018 VanDerWaalsContact O-N 3.15Å; I1016-I1019 HydrophobicContact CG1-CD1 3.72Å; I1016-I1019 HydrophobicContact CG1-CG1 4.02Å; I1016-I1019 PolarHBondContact O-N 3.03Å | ||
| 1017 | N | 51.2 | Low | 72.2 | Confident | 155 Ų | 155 | 58.6 Ų | 58.6 | 83% | 0.829 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 120.4 | 171.1 | -78.2 | -18.3 | 0 | 0 | 0 | 109.9 | ||
| 1018 | G | 51.3 | Low | 70.8 | Confident | 21 Ų | 21 | 59 Ų | 59 | 22% | 0.216 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 117.9 | -31.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G911 A912 I1016 | G911-G1018 WeakPolarHBondContact CA-O 3.23Å; A912-G1018 PolarHBondContact N-O 2.81Å; I1016-G1018 PolarHBondContact O-N 3.04Å; I1016-G1018 VanDerWaalsContact O-N 3.15Å |
| 1019 | I | 57 | Low | 69.7 | Low | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | trans | -85.8 | 110 | 169.9 | -56.1 | 174.1 | 0 | 0 | 0 | 106.9 | L933 L967 V1015 I1016 P1021 | L933-I1019 HydrophobicContact CD2-CG2 4.28Å; L967-I1019 HydrophobicContact CB-CD1 3.78Å; L967-I1019 HydrophobicContact CB-CG1 4Å; L967-I1019 HydrophobicContact CD1-CD1 3.97Å; L967-I1019 HydrophobicContact CD1-CG1 4.37Å; L967-I1019 HydrophobicContact CD1-CG2 4.3Å; L967-I1019 HydrophobicContact CG-CD1 4.44Å; V1015-I1019 HydrophobicContact CG1-CB 4.11Å; V1015-I1019 HydrophobicContact CG1-CG2 4.08Å; V1015-I1019 WeakPolarHBondContact CG1-O 3.38Å; I1016-I1019 HydrophobicContact CG1-CD1 3.72Å; I1016-I1019 HydrophobicContact CG1-CG1 4.02Å; I1016-I1019 PolarHBondContact O-N 3.03Å; I1019-P1021 VanDerWaalsContact O-CD 3.29Å; I1019-P1021 WeakPolarHBondContact O-CD 3.36Å | ||
| 1020 | Q | 60 | Low | 68.9 | Low | 64 Ų | 64 | 56.6 Ų | 56.6 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | trans | -90.2 | 116.4 | -177 | -168.4 | 165 | 12.4 | 0 | 0 | 110.3 | L1022 | Q1020-L1022 PolarHBondContact O-N 3.06Š| ||
| 1021 | P | 62.8 | Low | 68.6 | Low | 58 Ų | 58 | 51.5 Ų | 51.5 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | trans | -56.4 | 115.7 | 163.7 | -11.4 | 17.4 | 0 | 0 | 0 | 108.5 | T935 V1015 I1019 P1023 | T935-P1021 HydrophobicContact CG2-CB 4.43Å; T935-P1021 HydrophobicContact CG2-CG 4.49Å; V1015-P1021 HydrophobicContact CG1-CG 4.25Å; I1019-P1021 VanDerWaalsContact O-CD 3.29Å; I1019-P1021 WeakPolarHBondContact O-CD 3.36Å; P1021-P1023 VanDerWaalsContact O-CD 3.29Å; P1021-P1023 WeakPolarHBondContact O-CD 3.31Å | ||
| 1022 | L | 72 | Confident | 68.1 | Low | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -93 | 111.2 | -179.9 | -71.2 | 159.3 | 0 | 0 | 0 | 109.1 | S913 T932 Q1020 L1024 L1093 W1100 Q1102 | S913-L1022 WeakPolarHBondContact OG-CD1 3.36Å; T932-L1022 HydrophobicContact CG2-CD1 4Å; Q1020-L1022 PolarHBondContact O-N 3.06Å; L1022-L1024 PolarHBondContact O-N 2.8Å; L1022-L1093 HydrophobicContact CD1-CD1 4Å; L1022-L1093 HydrophobicContact CD1-CD2 3.27Å; L1022-L1093 HydrophobicContact CD1-CG 4.28Å; L1022-L1093 HydrophobicContact CD2-CD1 4.25Å; L1022-L1093 HydrophobicContact CD2-CD2 3.79Å; L1022-L1093 HydrophobicContact CG-CD2 4.03Å; L1022-W1100 HydrophobicContact CD2-CB 3.98Å; L1022-Q1102 HydrophobicContact CB-CB 4.13Å | ||
| 1023 | P | 73.8 | Confident | 67.7 | Low | 43 Ų | 43 | 41.4 Ų | 41.4 | 28% | 0.279 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 141.3 | 175.4 | 27.9 | -34.5 | 0 | 0 | 0 | 109.8 | P1021 W1100 V1101 Q1102 | P1021-P1023 VanDerWaalsContact O-CD 3.29Å; P1021-P1023 WeakPolarHBondContact O-CD 3.31Å; P1023-W1100 VanDerWaalsContact CD-O 3.32Å; P1023-W1100 WeakPolarHBondContact CD-O 3.08Å; P1023-W1100 WeakPolarHBondContact CG-O 3.34Å; P1023-V1101 HydrophobicContact CG-CG2 4.27Å; P1023-V1101 WeakPolarHBondContact O-CG1 3.2Å; P1023-Q1102 PolarHBondContact O-N 2.88Å; P1023-Q1102 VanDerWaalsContact O-N 3.08Å |
| 1024 | L | 75.6 | Confident | 67.3 | Low | 21 Ų | 21 | 44.5 Ų | 44.5 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 150.6 | 167.1 | -64.7 | 178.1 | 0 | 0 | 0 | 110.4 | Y934 L946 L1022 Q1102 L1136 V1141 | Y934-L1024 HydrophobicContact CE2-CD1 3.92Å; Y934-L1024 HydrophobicContact CE2-CG 3.98Å; L946-L1024 HydrophobicContact CD1-CD2 4.36Å; L1022-L1024 PolarHBondContact O-N 2.8Å; L1024-Q1102 HydrophobicContact CD2-CB 4.42Å; L1024-L1136 HydrophobicContact CD2-CB 4.27Å; L1024-L1136 HydrophobicContact CD2-CD1 3.77Å; L1024-V1141 HydrophobicContact CD1-CB 4.32Å; L1024-V1141 HydrophobicContact CD1-CG2 3.43Å; L1024-V1141 VanDerWaalsContact CD1-CG2 3.43Å |
| 1025 | P | 75.1 | Confident | 67.7 | Low | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -60 | 153 | 174.1 | 25.8 | -36.8 | 0 | 0 | 0 | 110.5 | T1029 V1101 Q1102 F1103 L1136 G1138 | P1025-T1029 VanDerWaalsContact CB-OG1 3.23Å; P1025-T1029 WeakPolarHBondContact CB-OG1 3.47Å; P1025-V1101 HydrophobicContact CB-CG1 4.16Å; P1025-Q1102 WeakPolarHBondContact CD-O 3.31Å; P1025-F1103 HydrophobicContact CB-CD1 3.77Å; P1025-F1103 HydrophobicContact CB-CE1 3.8Å; P1025-F1103 HydrophobicContact CG-CD1 4.1Å; P1025-L1136 HydrophobicContact CG-CB 4.48Å; P1025-L1136 WeakPolarHBondContact CG-O 3.36Å; P1025-G1138 WeakPolarHBondContact O-CA 3.36Å; P1025-G1138 PolarHBondContact O-N 3.32Å |
| 1026 | Y | 65.8 | Low | 68.4 | Low | 105 Ų | 105 | 44.6 Ų | 44.6 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 157.8 | 170.4 | -64 | -96 | 0 | 0 | 0 | 110.1 | I579 S1028 T1029 | I579-Y1026 HydrophobicContact CG2-CD2 3.34Å; I579-Y1026 HydrophobicContact CG2-CE2 3.46Å; I579-Y1026 VanDerWaalsContact CG2-CE2 3.46Å; I579-Y1026 HydrophobicContact CG2-CG 4.15Å; Y1026-S1028 PolarHBondContact O-N 2.8Å; Y1026-T1029 PolarHBondContact N-OG1 3.44Å; Y1026-T1029 WeakPolarHBondContact O-CB 3.47Å; Y1026-T1029 PolarHBondContact O-N 3.4Å; Y1026-T1029 PolarHBondContact O-OG1 2.84Å |
| 1027 | S | 62.8 | Low | 69.8 | Low | 29 Ų | 29 | 41.7 Ų | 41.7 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 141.7 | 174 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | T1029 | S1027-T1029 PolarHBondContact O-N 3.14Å; S1027-T1029 VanDerWaalsContact O-N 3.08Å |
| 1028 | S | 61.6 | Low | 71.6 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 0.7 | -174 | 64 | 0 | 0 | 0 | 0 | 117.1 | I543 L577 Q585 Y1026 | I543-S1028 VanDerWaalsContact CD1-O 3.28Å; I543-S1028 WeakPolarHBondContact CD1-O 3.46Å; L577-S1028 WeakPolarHBondContact CD1-OG 3.39Å; Q585-S1028 VanDerWaalsContact CD-O 3.23Å; Q585-S1028 PolarHBondContact NE2-O 3.38Å; Q585-S1028 PolarHBondContact OE1-O 2.8Å; Y1026-S1028 PolarHBondContact O-N 2.8Å |
| 1029 | T | 67.9 | Low | 73.4 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | trans | -87.3 | 138.5 | 175.6 | 71.6 | 0 | 0 | 0 | 0 | 112.7 | I579 Q585 P1025 Y1026 S1027 | I579-T1029 HydrophobicContact CD1-CG2 3.37Å; I579-T1029 HydrophobicContact CG1-CG2 3.79Å; Q585-T1029 VanDerWaalsContact OE1-CG2 3.28Å; P1025-T1029 VanDerWaalsContact CB-OG1 3.23Å; P1025-T1029 WeakPolarHBondContact CB-OG1 3.47Å; Y1026-T1029 PolarHBondContact N-OG1 3.44Å; Y1026-T1029 WeakPolarHBondContact O-CB 3.47Å; Y1026-T1029 PolarHBondContact O-N 3.4Å; Y1026-T1029 PolarHBondContact O-OG1 2.84Å; S1027-T1029 PolarHBondContact O-N 3.14Å; S1027-T1029 VanDerWaalsContact O-N 3.08Å | ||
| 1030 | G | 75.1 | Confident | 74.8 | Confident | 18 Ų | 18 | 33 Ų | 33 | 19% | 0.186 | 19% | 0.19 | C | C | . | . | trans | -135.6 | 157.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1075 F1103 | G1030-Y1075 VanDerWaalsContact CA-OH 3.31Å; G1030-Y1075 WeakPolarHBondContact CA-OH 3.45Å; G1030-F1103 VanDerWaalsContact C-CE1 3.46Å | ||
| 1031 | P | 82.5 | Confident | 76.1 | Confident | 13 Ų | 13 | 30 Ų | 30 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | trans | -72.1 | 149.6 | 173.1 | 31.8 | -28.6 | 0 | 0 | 0 | 110 | M1035 L1055 Y1075 C1094 F1103 | P1031-M1035 VanDerWaalsContact CA-SD 3.57Å; P1031-M1035 HydrophobicContact CB-SD 3.92Å; P1031-L1055 HydrophobicContact CB-CD2 3.89Å; P1031-L1055 HydrophobicContact CG-CD2 3.57Å; P1031-Y1075 WeakPolarHBondContact CD-OH 3.41Å; P1031-Y1075 HydrophobicContact CG-CD1 4.23Å; P1031-Y1075 HydrophobicContact CG-CD2 4.17Å; P1031-Y1075 HydrophobicContact CG-CE1 4.05Å; P1031-Y1075 HydrophobicContact CG-CE2 3.96Å; P1031-Y1075 HydrophobicContact CG-CG 4.3Å; P1031-C1094 HydrophobicContact CB-CB 4.45Å; P1031-F1103 HydrophobicContact CB-CB 4.34Å; P1031-F1103 HydrophobicContact CB-CD1 4.1Å; P1031-F1103 HydrophobicContact CB-CD2 4.04Å; P1031-F1103 HydrophobicContact CB-CE1 4.35Å; P1031-F1103 HydrophobicContact CB-CE2 4.28Å; P1031-F1103 HydrophobicContact CB-CG 3.9Å; P1031-F1103 HydrophobicContact CB-CZ 4.42Å; P1031-F1103 VanDerWaalsContact CD-CD1 3.41Å; P1031-F1103 HydrophobicContact CG-CB 3.92Å; P1031-F1103 HydrophobicContact CG-CD1 4.03Å; P1031-F1103 HydrophobicContact CG-CG 3.92Å | ||
| 1032 | S | 76 | Confident | 76.9 | Confident | 39 Ų | 39 | 27.3 Ų | 27.3 | 27% | 0.273 | 16% | 0.158 | S | C | . | . | trans | -97.7 | 158.3 | 167.9 | 78.2 | 0 | 0 | 0 | 0 | 110.1 | A1034 M1035 | S1032-A1034 PolarHBondContact O-N 3.18Å; S1032-A1034 PolarHBondContact OG-N 3.07Å; S1032-M1035 VanDerWaalsContact O-CB 3.31Å; S1032-M1035 WeakPolarHBondContact O-CB 3.41Å; S1032-M1035 PolarHBondContact O-N 2.88Å | ||
| 1033 | T | 74.2 | Confident | 77.2 | Confident | 52 Ų | 52 | 27.1 Ų | 27.1 | 32% | 0.319 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.8 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | M1035 Q1054 L1055 T1057 | T1033-M1035 VanDerWaalsContact C-N 3.32Å; T1033-Q1054 PolarHBondContact O-NE2 2.8Å; T1033-L1055 WeakPolarHBondContact CB-O 3.03Å; T1033-L1055 WeakPolarHBondContact CG2-O 3.48Å; T1033-T1057 HydrophobicContact CG2-CG2 3.62Å; T1033-T1057 VanDerWaalsContact CG2-N 3.32Å |
| 1034 | A | 71.7 | Confident | 77.3 | Confident | 80 Ų | 80 | 30.5 Ų | 30.5 | 66% | 0.661 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1032 | S1032-A1034 PolarHBondContact O-N 3.18Å; S1032-A1034 PolarHBondContact OG-N 3.07Å |
| 1035 | M | 79.9 | Confident | 77.1 | Confident | 39 Ų | 39 | 31.8 Ų | 31.8 | 19% | 0.192 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -73.6 | 145.6 | 176.2 | -64.1 | -170.5 | -177.4 | 0 | 0 | 110.8 | P1031 S1032 T1033 C1094 F1103 | P1031-M1035 VanDerWaalsContact CA-SD 3.57Å; P1031-M1035 HydrophobicContact CB-SD 3.92Å; S1032-M1035 VanDerWaalsContact O-CB 3.31Å; S1032-M1035 WeakPolarHBondContact O-CB 3.41Å; S1032-M1035 PolarHBondContact O-N 2.88Å; T1033-M1035 VanDerWaalsContact C-N 3.32Å; M1035-C1094 HydrophobicContact CB-CB 4.24Å; M1035-C1094 HydrophobicContact SD-CB 4.33Å; M1035-F1103 HydrophobicContact SD-CE2 4.2Å; M1035-F1103 HydrophobicContact SD-CZ 4.26Å |
| 1036 | Y | 80.9 | Confident | 76.7 | Confident | 100 Ų | 100 | 32.8 Ų | 32.8 | 39% | 0.392 | 19% | 0.186 | S | C | . | . | trans | -86.3 | 118.6 | 174.5 | -158.7 | -124.8 | 0 | 0 | 0 | 108.9 | F1038 H1052 C1094 R1095 W1100 | Y1036-F1038 HydrophobicContact CD1-CD2 4.49Å; Y1036-F1038 AromaticContact CD1-CE2 3.55Å; Y1036-F1038 HydrophobicContact CD1-CE2 3.55Å; Y1036-F1038 AromaticContact CD1-CZ 3.95Å; Y1036-F1038 HydrophobicContact CD1-CZ 3.95Å; Y1036-F1038 HydrophobicContact CE1-CE1 4.35Å; Y1036-F1038 AromaticContact CE1-CE2 3.34Å; Y1036-F1038 HydrophobicContact CE1-CE2 3.34Å; Y1036-F1038 AromaticContact CE1-CZ 3.22Å; Y1036-F1038 HydrophobicContact CE1-CZ 3.22Å; Y1036-F1038 AromaticContact CZ-CZ 3.75Å; Y1036-H1052 AromaticContact CD2-CD2 3.89Å; Y1036-H1052 AromaticContact CD2-NE2 3.49Å; Y1036-H1052 WeakPolarHBondContact CD2-NE2 2.91Å; Y1036-H1052 AromaticContact CE2-CD2 3.31Å; Y1036-H1052 WeakPolarHBondContact CE2-CD2 3.24Å; Y1036-H1052 AromaticContact CE2-NE2 3.13Å; Y1036-H1052 WeakPolarHBondContact CE2-NE2 3.42Å; Y1036-H1052 AromaticContact CZ-CD2 3.61Å; Y1036-H1052 AromaticContact CZ-NE2 3.94Å; Y1036-C1094 WeakPolarHBondContact O-CA 3.29Å; Y1036-R1095 PolarHBondContact O-N 3.18Å; Y1036-W1100 HydrophobicContact CD1-CH2 4.23Å; Y1036-W1100 WeakPolarHBondContact O-CZ3 3.22Å | ||
| 1037 | C | 88.9 | Confident | 77 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145.2 | -171 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | H1052 Y1053 L1092 L1093 C1094 | C1037-H1052 PolarHBondContact O-CD2 3.02Å; C1037-Y1053 PolarHBondContact O-N 2.87Å; C1037-L1092 HydrophobicContact CB-CD1 4.03Å; C1037-L1093 CarbonylContact C-O 3.53Å; C1037-L1093 WeakPolarHBondContact CA-O 3.27Å; C1037-C1094 HydrophobicContact CB-CB 4.11Å; C1037-C1094 WeakPolarHBondContact CB-SG 3.47Å; C1037-C1094 WeakPolarHBondContact SG-CB 3.42Å; C1037-C1094 CovalentContact SG-SG 2.04Å; C1037-C1094 PolarHBondContact SG-SG 3.18Å |
| 1038 | F | 88 | Confident | 77.6 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 148.4 | 176.6 | -68.4 | -79.1 | 0 | 0 | 0 | 110.8 | L909 Y1036 R1050 A1051 H1052 L1093 W1100 | L909-F1038 HydrophobicContact CD2-CE2 3.82Å; L909-F1038 HydrophobicContact CD2-CZ 4Å; Y1036-F1038 HydrophobicContact CD1-CD2 4.49Å; Y1036-F1038 AromaticContact CD1-CE2 3.55Å; Y1036-F1038 HydrophobicContact CD1-CE2 3.55Å; Y1036-F1038 AromaticContact CD1-CZ 3.95Å; Y1036-F1038 HydrophobicContact CD1-CZ 3.95Å; Y1036-F1038 HydrophobicContact CE1-CE1 4.35Å; Y1036-F1038 AromaticContact CE1-CE2 3.34Å; Y1036-F1038 HydrophobicContact CE1-CE2 3.34Å; Y1036-F1038 AromaticContact CE1-CZ 3.22Å; Y1036-F1038 HydrophobicContact CE1-CZ 3.22Å; Y1036-F1038 AromaticContact CZ-CZ 3.75Å; F1038-R1050 HydrophobicContact CB-CB 4.35Å; F1038-R1050 HydrophobicContact CD1-CB 3.94Å; F1038-R1050 HydrophobicContact CG-CB 4.31Å; F1038-A1051 CarbonylContact C-O 3.2Å; F1038-A1051 VanDerWaalsContact CA-O 3.27Å; F1038-A1051 WeakPolarHBondContact CA-O 3.45Å; F1038-H1052 HydrophobicContact CD1-CB 4.09Å; F1038-H1052 HydrophobicContact CE1-CB 3.85Å; F1038-L1093 PolarHBondContact N-O 3.49Å; F1038-L1093 PolarHBondContact O-N 2.83Å; F1038-W1100 AromaticContact CD2-CH2 3.55Å; F1038-W1100 HydrophobicContact CD2-CH2 3.55Å; F1038-W1100 HydrophobicContact CD2-CZ2 4.46Å; F1038-W1100 AromaticContact CD2-CZ3 3.74Å; F1038-W1100 HydrophobicContact CD2-CZ3 3.74Å; F1038-W1100 AromaticContact CE2-CH2 3.6Å; F1038-W1100 HydrophobicContact CE2-CH2 3.6Å; F1038-W1100 HydrophobicContact CE2-CZ2 4.33Å; F1038-W1100 HydrophobicContact CE2-CZ3 4.26Å |
| 1039 | V | 90.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.3 | 162.5 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | R1050 A1051 Y1053 L1084 P1091 L1092 Y1106 F1133 | V1039-R1050 WeakPolarHBondContact O-CA 3.26Å; V1039-A1051 PolarHBondContact N-O 2.79Å; V1039-A1051 PolarHBondContact O-N 2.97Å; V1039-Y1053 HydrophobicContact CB-CD2 3.81Å; V1039-Y1053 HydrophobicContact CB-CE2 3.82Å; V1039-Y1053 HydrophobicContact CG2-CD1 4.44Å; V1039-Y1053 HydrophobicContact CG2-CD2 3.31Å; V1039-Y1053 HydrophobicContact CG2-CE2 3.57Å; V1039-Y1053 HydrophobicContact CG2-CG 3.79Å; V1039-L1084 HydrophobicContact CB-CD1 3.99Å; V1039-L1084 HydrophobicContact CG1-CD1 3.46Å; V1039-L1084 VanDerWaalsContact CG1-CD1 3.46Å; V1039-P1091 WeakPolarHBondContact CA-O 3.48Å; V1039-L1092 HydrophobicContact CG2-CD1 4.14Å; V1039-Y1106 HydrophobicContact CG1-CD2 4.24Å; V1039-Y1106 HydrophobicContact CG2-CD2 4.4Å; V1039-F1133 HydrophobicContact CG2-CE1 3.44Å; V1039-F1133 VanDerWaalsContact CG2-CE1 3.44Å; V1039-F1133 HydrophobicContact CG2-CZ 3.64Å |
| 1040 | S | 86.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 132.6 | 173.8 | -171.3 | 0 | 0 | 0 | 0 | 109.3 | S1090 P1091 | S1040-S1090 WeakPolarHBondContact O-CB 3.33Å; S1040-S1090 PolarHBondContact O-OG 3.29Å; S1040-S1090 VanDerWaalsContact O-OG 3.1Å; S1040-P1091 PolarHBondContact N-O 3.13Å; S1040-P1091 WeakPolarHBondContact O-CD 3.4Å |
| 1041 | G | 86.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | -154.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P1048 V1049 | G1041-P1048 WeakPolarHBondContact O-CA 3.5Å; G1041-V1049 PolarHBondContact N-O 2.72Å; G1041-V1049 VanDerWaalsContact N-O 3.08Å; G1041-V1049 PolarHBondContact O-N 3.17Å |
| 1042 | V | 79.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.5 | -179.4 | 169.8 | 0 | 0 | 0 | 0 | 109.9 | H916 M1047 Q1085 | H916-V1042 VanDerWaalsContact CE1-CB 3.46Å; H916-V1042 WeakPolarHBondContact CE1-CB 3.05Å; H916-V1042 WeakPolarHBondContact NE2-CB 3.31Å; H916-V1042 WeakPolarHBondContact NE2-CG1 3.48Å; H916-V1042 WeakPolarHBondContact NE2-CG2 3.13Å; V1042-M1047 VanDerWaalsContact CA-O 3.27Å; V1042-M1047 WeakPolarHBondContact CA-O 3.48Å; V1042-M1047 WeakPolarHBondContact CG1-O 3.32Å; V1042-Q1085 PolarHBondContact O-N 2.92Å |
| 1043 | C | 78.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -81.5 | 170.7 | 176.6 | 67.7 | 0 | 0 | 0 | 0 | 111.9 | H830 H1045 G1046 M1047 V1049 I1083 | H830-C1043 WeakPolarHBondContact NE2-CB 3.46Å; C1043-H1045 PolarHBondContact O-N 3.01Å; C1043-G1046 PolarHBondContact O-N 3.49Å; C1043-M1047 PolarHBondContact N-O 3.41Å; C1043-M1047 VanDerWaalsContact N-O 3.08Å; C1043-V1049 HydrophobicContact CB-CG1 3.74Å; C1043-V1049 HydrophobicContact CB-CG2 4.13Å; C1043-I1083 WeakPolarHBondContact CA-O 3.4Å; C1043-I1083 VanDerWaalsContact CB-O 3.26Å; C1043-I1083 WeakPolarHBondContact CB-O 3.48Å | ||
| 1044 | Q | 75.5 | Confident | 80.7 | Confident | 114 Ų | 114 | 27.3 Ų | 27.3 | 53% | 0.533 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20 | 176.8 | 67.4 | -172.4 | 11 | 0 | 0 | 114.2 | G1046 | Q1044-G1046 VanDerWaalsContact C-N 3.27Å; Q1044-G1046 PolarHBondContact O-N 2.7Å |
| 1045 | H | 70.5 | Confident | 81.4 | Confident | 47 Ų | 47 | 23.8 Ų | 23.8 | 22% | 0.218 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 2.7 | 177.3 | -43.8 | 119.6 | 0 | 0 | 0 | 113.4 | I827 R970 C1043 M1047 | I827-H1045 PolarHBondContact O-CE1 3.22Å; I827-H1045 VanDerWaalsContact O-CE1 3.27Å; R970-H1045 PolarHBondContact NH1-O 3.21Å; C1043-H1045 PolarHBondContact O-N 3.01Å; H1045-M1047 HydrophobicContact CB-CE 3.75Å |
| 1046 | G | 68.7 | Low | 81.6 | Confident | 25 Ų | 25 | 23.2 Ų | 23.2 | 26% | 0.258 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 74.2 | 21.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C1043 Q1044 | C1043-G1046 PolarHBondContact O-N 3.49Å; Q1044-G1046 VanDerWaalsContact C-N 3.27Å; Q1044-G1046 PolarHBondContact O-N 2.7Å |
| 1047 | M | 72.1 | Confident | 81.7 | Confident | 27 Ų | 27 | 20.9 Ų | 20.9 | 13% | 0.133 | 11% | 0.109 | C | C | . | . | trans | -109.4 | 148 | 178.5 | -70.2 | -179.2 | -71.1 | 0 | 0 | 112.6 | Y820 H832 V1042 C1043 H1045 V1049 | Y820-M1047 HydrophobicContact CD2-CE 4.28Å; Y820-M1047 HydrophobicContact CE2-CE 3.4Å; Y820-M1047 VanDerWaalsContact CE2-CE 3.4Å; Y820-M1047 HydrophobicContact CE2-SD 3.99Å; H832-M1047 WeakPolarHBondContact CE1-CE 3.21Å; H832-M1047 WeakPolarHBondContact ND1-CE 3.1Å; V1042-M1047 VanDerWaalsContact CA-O 3.27Å; V1042-M1047 WeakPolarHBondContact CA-O 3.48Å; V1042-M1047 WeakPolarHBondContact CG1-O 3.32Å; C1043-M1047 PolarHBondContact N-O 3.41Å; C1043-M1047 VanDerWaalsContact N-O 3.08Å; H1045-M1047 HydrophobicContact CB-CE 3.75Å; M1047-V1049 PolarHBondContact O-N 2.82Å | ||
| 1048 | P | 75.4 | Confident | 81.2 | Confident | 15 Ų | 15 | 22.3 Ų | 22.3 | 10% | 0.097 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 130.6 | 174.4 | 29.4 | -35.2 | 0 | 0 | 0 | 110.7 | I833 A912 G1041 | I833-P1048 HydrophobicContact CB-CB 4.29Å; I833-P1048 HydrophobicContact CB-CG 4.29Å; I833-P1048 HydrophobicContact CD1-CB 4.31Å; I833-P1048 PolarHBondContact N-O 2.74Å; A912-P1048 HydrophobicContact CB-CB 4.04Å; A912-P1048 HydrophobicContact CB-CG 4.4Å; G1041-P1048 WeakPolarHBondContact O-CA 3.5Å |
| 1049 | V | 79.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 162.8 | -178 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | E831 H832 G1041 C1043 M1047 I1083 L1084 | E831-V1049 WeakPolarHBondContact O-CB 3.02Å; H832-V1049 VanDerWaalsContact CD2-CG1 3.48Å; H832-V1049 WeakPolarHBondContact CD2-CG1 3.23Å; G1041-V1049 PolarHBondContact N-O 2.72Å; G1041-V1049 VanDerWaalsContact N-O 3.08Å; G1041-V1049 PolarHBondContact O-N 3.17Å; C1043-V1049 HydrophobicContact CB-CG1 3.74Å; C1043-V1049 HydrophobicContact CB-CG2 4.13Å; M1047-V1049 PolarHBondContact O-N 2.82Å; V1049-I1083 HydrophobicContact CB-CG2 4.49Å; V1049-I1083 HydrophobicContact CG2-CG2 3.88Å; V1049-L1084 HydrophobicContact CG2-CD2 3.46Å; V1049-L1084 VanDerWaalsContact CG2-CD2 3.46Å |
| 1050 | R | 81.8 | Confident | 80.2 | Confident | 22 Ų | 22 | 28 Ų | 28 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.3 | 170.8 | -61.9 | 176.4 | -67 | -146.8 | 1.2 | 108.5 | E831 I833 L909 P910 F1038 V1039 | E831-R1050 IonicContact OE1-CZ 2.82Å; E831-R1050 IonicContact OE1-NE 3.75Å; E831-R1050 IonicContact OE1-NH2 3.71Å; E831-R1050 PolarHBondContact OE1-NH2 2.9Å; I833-R1050 HydrophobicContact CD1-CG 3.48Å; I833-R1050 VanDerWaalsContact CD1-CG 3.48Å; I833-R1050 HydrophobicContact CG1-CG 3.75Å; L909-R1050 VanDerWaalsContact C-NH1 3.29Å; L909-R1050 VanDerWaalsContact CB-CZ 3.49Å; P910-R1050 WeakPolarHBondContact O-CD 3.36Å; P910-R1050 PolarHBondContact O-NH1 3.08Å; F1038-R1050 HydrophobicContact CB-CB 4.35Å; F1038-R1050 HydrophobicContact CD1-CB 3.94Å; F1038-R1050 HydrophobicContact CG-CB 4.31Å; V1039-R1050 WeakPolarHBondContact O-CA 3.26Å |
| 1051 | A | 84.6 | Confident | 80 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109 | F1038 V1039 Y1053 I1083 L1084 | F1038-A1051 CarbonylContact C-O 3.2Å; F1038-A1051 VanDerWaalsContact CA-O 3.27Å; F1038-A1051 WeakPolarHBondContact CA-O 3.45Å; V1039-A1051 PolarHBondContact N-O 2.79Å; V1039-A1051 PolarHBondContact O-N 2.97Å; A1051-Y1053 HydrophobicContact CB-CD2 4.21Å; A1051-Y1053 HydrophobicContact CB-CE2 3.83Å; A1051-Y1053 WeakPolarHBondContact O-CD2 3.22Å; A1051-I1083 HydrophobicContact CB-CB 4.33Å; A1051-I1083 HydrophobicContact CB-CD1 4.27Å; A1051-I1083 HydrophobicContact CB-CG2 4.04Å; A1051-L1084 HydrophobicContact CB-CD1 4.1Å; A1051-L1084 HydrophobicContact CB-CD2 4.49Å; A1051-L1084 HydrophobicContact CB-CG 4.15Å |
| 1052 | H | 84.5 | Confident | 79.5 | Confident | 50 Ų | 50 | 29 Ų | 29 | 23% | 0.231 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 134.1 | 173.9 | 176.8 | -99.8 | 0 | 0 | 0 | 110.2 | Y1036 C1037 F1038 | Y1036-H1052 AromaticContact CD2-CD2 3.89Å; Y1036-H1052 AromaticContact CD2-NE2 3.49Å; Y1036-H1052 WeakPolarHBondContact CD2-NE2 2.91Å; Y1036-H1052 AromaticContact CE2-CD2 3.31Å; Y1036-H1052 WeakPolarHBondContact CE2-CD2 3.24Å; Y1036-H1052 AromaticContact CE2-NE2 3.13Å; Y1036-H1052 WeakPolarHBondContact CE2-NE2 3.42Å; Y1036-H1052 AromaticContact CZ-CD2 3.61Å; Y1036-H1052 AromaticContact CZ-NE2 3.94Å; C1037-H1052 PolarHBondContact O-CD2 3.02Å; F1038-H1052 HydrophobicContact CD1-CB 4.09Å; F1038-H1052 HydrophobicContact CE1-CB 3.85Å |
| 1053 | Y | 86.6 | Confident | 79.3 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.3 | 175.6 | -88.9 | -101.4 | 0 | 0 | 0 | 110.1 | C1037 V1039 A1051 V1078 Y1106 A1131 F1133 | C1037-Y1053 PolarHBondContact O-N 2.87Å; V1039-Y1053 HydrophobicContact CB-CD2 3.81Å; V1039-Y1053 HydrophobicContact CB-CE2 3.82Å; V1039-Y1053 HydrophobicContact CG2-CD1 4.44Å; V1039-Y1053 HydrophobicContact CG2-CD2 3.31Å; V1039-Y1053 HydrophobicContact CG2-CE2 3.57Å; V1039-Y1053 HydrophobicContact CG2-CG 3.79Å; A1051-Y1053 HydrophobicContact CB-CD2 4.21Å; A1051-Y1053 HydrophobicContact CB-CE2 3.83Å; A1051-Y1053 WeakPolarHBondContact O-CD2 3.22Å; Y1053-V1078 WeakPolarHBondContact CA-O 3.44Å; Y1053-Y1106 HydrophobicContact CE1-CE2 4.33Å; Y1053-A1131 HydrophobicContact CD1-CB 4.2Å; Y1053-A1131 HydrophobicContact CE1-CB 3.5Å; Y1053-F1133 HydrophobicContact CD1-CE2 4Å; Y1053-F1133 AromaticContact CD1-CZ 3.61Å; Y1053-F1133 HydrophobicContact CD1-CZ 3.61Å; Y1053-F1133 HydrophobicContact CE1-CE2 4.5Å; Y1053-F1133 AromaticContact CE1-CZ 3.93Å; Y1053-F1133 HydrophobicContact CE1-CZ 3.93Å; Y1053-F1133 HydrophobicContact CG-CZ 4.02Å |
| 1054 | Q | 84.1 | Confident | 79 | Confident | 40 Ų | 40 | 38.5 Ų | 38.5 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 115.7 | 170.4 | 176.8 | 62.6 | 47.4 | 0 | 0 | 108.9 | P208 T1033 G1077 V1078 | P208-Q1054 HydrophobicContact CB-CB 4.36Å; P208-Q1054 HydrophobicContact CB-CG 4.16Å; P208-Q1054 HydrophobicContact CG-CB 4.19Å; P208-Q1054 HydrophobicContact CG-CG 3.6Å; T1033-Q1054 PolarHBondContact O-NE2 2.8Å; Q1054-G1077 CarbonylContact O-C 3.58Å; Q1054-G1077 WeakPolarHBondContact O-CA 3.43Å; Q1054-V1078 HydrophobicContact CB-CG2 3.91Å; Q1054-V1078 HydrophobicContact CG-CG2 4.49Å; Q1054-V1078 PolarHBondContact N-O 3.34Å; Q1054-V1078 PolarHBondContact O-N 3.26Å |
| 1055 | L | 86.2 | Confident | 79.1 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 133.9 | 173.4 | -160.8 | 72.8 | 0 | 0 | 0 | 110.4 | P1031 T1033 Y1075 C1076 L1092 | P1031-L1055 HydrophobicContact CB-CD2 3.89Å; P1031-L1055 HydrophobicContact CG-CD2 3.57Å; T1033-L1055 WeakPolarHBondContact CB-O 3.03Å; T1033-L1055 WeakPolarHBondContact CG2-O 3.48Å; L1055-Y1075 HydrophobicContact CD1-CG 4.46Å; L1055-C1076 VanDerWaalsContact CD1-O 3.26Å; L1055-C1076 WeakPolarHBondContact CD1-O 2.99Å; L1055-L1092 HydrophobicContact CD1-CD2 4.31Å |
| 1056 | L | 85.4 | Confident | 79.2 | Confident | 26 Ų | 26 | 33.1 Ų | 33.1 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -94.5 | 155.5 | 176.6 | -61.8 | -176.6 | 0 | 0 | 0 | 110.9 | E1060 C1076 V1078 | L1056-E1060 HydrophobicContact CB-CB 4.06Å; L1056-E1060 HydrophobicContact CD1-CB 4.48Å; L1056-C1076 PolarHBondContact N-O 3.21Å; L1056-V1078 HydrophobicContact CD1-CG1 4.08Å; L1056-V1078 HydrophobicContact CD2-CG2 4.39Å |
| 1057 | T | 81.6 | Confident | 79.3 | Confident | 51 Ų | 51 | 40.2 Ų | 40.2 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 155.3 | 171.7 | 62.7 | 0 | 0 | 0 | 0 | 109.2 | T1033 T1059 E1060 C1061 | T1033-T1057 HydrophobicContact CG2-CG2 3.62Å; T1033-T1057 VanDerWaalsContact CG2-N 3.32Å; T1057-T1059 PolarHBondContact O-N 3.06Å; T1057-E1060 WeakPolarHBondContact CB-OE2 3.34Å; T1057-E1060 WeakPolarHBondContact CG2-OE2 3.41Å; T1057-E1060 PolarHBondContact N-OE2 3.08Å; T1057-E1060 WeakPolarHBondContact O-CB 3.48Å; T1057-E1060 PolarHBondContact O-N 2.73Å; T1057-E1060 WeakPolarHBondContact OG1-CB 3.07Å; T1057-E1060 WeakPolarHBondContact OG1-CG 3.31Å; T1057-E1060 PolarHBondContact OG1-N 2.8Å; T1057-E1060 PolarHBondContact OG1-OE2 2.91Å; T1057-C1061 PolarHBondContact O-N 3.08Å; T1057-C1061 PolarHBondContact O-SG 2.79Å; T1057-C1061 VanDerWaalsContact O-SG 3.37Å |
| 1058 | Q | 80.2 | Confident | 79.5 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 15% | 0.145 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.3 | -36.7 | 175.9 | -67 | 166 | 67.3 | 0 | 0 | 112.6 | I517 M519 C1061 K1062 F1069 P1071 | I517-Q1058 HydrophobicContact CG2-CB 3.75Å; M519-Q1058 HydrophobicContact CG-CG 4Å; M519-Q1058 VanDerWaalsContact SD-CD 3.54Å; M519-Q1058 HydrophobicContact SD-CG 3.99Å; Q1058-C1061 PolarHBondContact O-N 3.02Å; Q1058-K1062 VanDerWaalsContact O-CB 3.27Å; Q1058-K1062 WeakPolarHBondContact O-CB 3.49Å; Q1058-K1062 PolarHBondContact O-N 2.56Å; Q1058-F1069 HydrophobicContact CB-CE1 4.32Å; Q1058-P1071 HydrophobicContact CG-CB 4.26Å |
| 1059 | T | 74.9 | Confident | 79.8 | Confident | 79 Ų | 79 | 44.8 Ų | 44.8 | 49% | 0.485 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -42.7 | 177 | -49.7 | 0 | 0 | 0 | 0 | 111.1 | I517 T1057 R1063 | I517-T1059 WeakPolarHBondContact CG2-OG1 3.49Å; T1057-T1059 PolarHBondContact O-N 3.06Å; T1059-R1063 VanDerWaalsContact O-CB 3.28Å; T1059-R1063 WeakPolarHBondContact O-CB 3.18Å; T1059-R1063 PolarHBondContact O-N 2.74Å |
| 1060 | E | 82.2 | Confident | 79.8 | Confident | 48 Ų | 48 | 45.4 Ų | 45.4 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.7 | -44.1 | 175.6 | -71.3 | 162.3 | 144.4 | 0 | 0 | 111.9 | L1056 T1057 K1062 R1063 H1064 | L1056-E1060 HydrophobicContact CB-CB 4.06Å; L1056-E1060 HydrophobicContact CD1-CB 4.48Å; T1057-E1060 WeakPolarHBondContact CB-OE2 3.34Å; T1057-E1060 WeakPolarHBondContact CG2-OE2 3.41Å; T1057-E1060 PolarHBondContact N-OE2 3.08Å; T1057-E1060 WeakPolarHBondContact O-CB 3.48Å; T1057-E1060 PolarHBondContact O-N 2.73Å; T1057-E1060 WeakPolarHBondContact OG1-CB 3.07Å; T1057-E1060 WeakPolarHBondContact OG1-CG 3.31Å; T1057-E1060 PolarHBondContact OG1-N 2.8Å; T1057-E1060 PolarHBondContact OG1-OE2 2.91Å; E1060-K1062 PolarHBondContact O-N 3.13Å; E1060-R1063 PolarHBondContact O-N 3.09Å; E1060-H1064 WeakPolarHBondContact O-CB 3.45Å; E1060-H1064 PolarHBondContact O-CD2 3.2Å; E1060-H1064 VanDerWaalsContact O-CD2 3.25Å; E1060-H1064 PolarHBondContact O-N 3Å |
| 1061 | C | 82.2 | Confident | 79.6 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.9 | -49.4 | 174.2 | -67 | 0 | 0 | 0 | 0 | 111.1 | T1057 Q1058 R1063 H1064 L1065 F1069 C1076 | T1057-C1061 PolarHBondContact O-N 3.08Å; T1057-C1061 PolarHBondContact O-SG 2.79Å; T1057-C1061 VanDerWaalsContact O-SG 3.37Å; Q1058-C1061 PolarHBondContact O-N 3.02Å; C1061-R1063 VanDerWaalsContact C-N 3.33Å; C1061-R1063 PolarHBondContact O-N 3.24Å; C1061-H1064 PolarHBondContact O-N 2.84Å; C1061-L1065 WeakPolarHBondContact O-CB 3.35Å; C1061-L1065 PolarHBondContact O-N 3.27Å; C1061-F1069 HydrophobicContact CB-CD1 3.54Å; C1061-F1069 HydrophobicContact CB-CD2 3.8Å; C1061-F1069 HydrophobicContact CB-CE1 3.41Å; C1061-F1069 VanDerWaalsContact CB-CE1 3.41Å; C1061-F1069 HydrophobicContact CB-CE2 3.69Å; C1061-F1069 HydrophobicContact CB-CG 3.73Å; C1061-F1069 HydrophobicContact CB-CZ 3.49Å; C1061-F1069 VanDerWaalsContact CB-CZ 3.49Å; C1061-C1076 WeakPolarHBondContact CA-SG 3.18Å; C1061-C1076 HydrophobicContact CB-CB 3.99Å; C1061-C1076 WeakPolarHBondContact CB-SG 3.4Å; C1061-C1076 WeakPolarHBondContact SG-CB 3.32Å; C1061-C1076 CovalentContact SG-SG 2.02Å; C1061-C1076 PolarHBondContact SG-SG 3.14Å |
| 1062 | K | 75.2 | Confident | 79.2 | Confident | 18 Ų | 18 | 45 Ų | 45 | 8% | 0.078 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 178.4 | -168.7 | 74.5 | -171.5 | 177.8 | 0 | 111.8 | S500 I517 Q1058 E1060 H1064 G1066 F1069 | S500-K1062 PolarHBondContact OG-NZ 3.37Å; I517-K1062 HydrophobicContact CD1-CB 4.47Å; I517-K1062 HydrophobicContact CD1-CG 4.5Å; Q1058-K1062 VanDerWaalsContact O-CB 3.27Å; Q1058-K1062 WeakPolarHBondContact O-CB 3.49Å; Q1058-K1062 PolarHBondContact O-N 2.56Å; E1060-K1062 PolarHBondContact O-N 3.13Å; K1062-H1064 VanDerWaalsContact C-N 3.29Å; K1062-H1064 PolarHBondContact O-N 3.21Å; K1062-G1066 VanDerWaalsContact CD-O 3.28Å; K1062-G1066 WeakPolarHBondContact CD-O 3.13Å; K1062-G1066 WeakPolarHBondContact CE-O 3.21Å; K1062-G1066 PolarHBondContact NZ-O 3.17Å; K1062-G1066 WeakPolarHBondContact O-CA 3.33Å; K1062-G1066 PolarHBondContact O-N 3.46Å; K1062-F1069 HydrophobicContact CB-CD1 4.39Å |
| 1063 | R | 74.7 | Confident | 79 | Confident | 142 Ų | 142 | 42.8 Ų | 42.8 | 54% | 0.536 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -36.1 | 176.4 | -175 | -179.8 | 59.2 | 67.7 | 2.2 | 112.1 | T1059 E1060 C1061 | T1059-R1063 VanDerWaalsContact O-CB 3.28Å; T1059-R1063 WeakPolarHBondContact O-CB 3.18Å; T1059-R1063 PolarHBondContact O-N 2.74Å; E1060-R1063 PolarHBondContact O-N 3.09Å; C1061-R1063 VanDerWaalsContact C-N 3.33Å; C1061-R1063 PolarHBondContact O-N 3.24Å |
| 1064 | H | 73.3 | Confident | 79 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -83.4 | -40.2 | -178.1 | -82.5 | -58.8 | 0 | 0 | 0 | 114 | K212 E1060 C1061 K1062 I1130 | K212-H1064 PolarHBondContact NZ-CE1 3.48Å; K212-H1064 PolarHBondContact NZ-NE2 3.4Å; K212-H1064 VanDerWaalsContact NZ-NE2 3.16Å; E1060-H1064 WeakPolarHBondContact O-CB 3.45Å; E1060-H1064 PolarHBondContact O-CD2 3.2Å; E1060-H1064 VanDerWaalsContact O-CD2 3.25Å; E1060-H1064 PolarHBondContact O-N 3Å; C1061-H1064 PolarHBondContact O-N 2.84Å; K1062-H1064 VanDerWaalsContact C-N 3.29Å; K1062-H1064 PolarHBondContact O-N 3.21Å; H1064-I1130 HydrophobicContact CB-CD1 3.44Å; H1064-I1130 VanDerWaalsContact CB-CD1 3.44Å |
| 1065 | L | 76.9 | Confident | 79.3 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -107.6 | -11.5 | -170.1 | -61.3 | 178.1 | 0 | 0 | 0 | 113.1 | C1061 E1067 K1068 F1069 C1076 F1110 I1130 I1132 | C1061-L1065 WeakPolarHBondContact O-CB 3.35Å; C1061-L1065 PolarHBondContact O-N 3.27Å; L1065-E1067 PolarHBondContact O-N 3.03Å; L1065-K1068 WeakPolarHBondContact O-CB 3.15Å; L1065-K1068 PolarHBondContact O-N 3.01Å; L1065-K1068 VanDerWaalsContact O-N 3.16Å; L1065-F1069 HydrophobicContact CB-CB 3.7Å; L1065-F1069 HydrophobicContact CD1-CB 3.99Å; L1065-F1069 HydrophobicContact CD1-CD2 4.32Å; L1065-F1069 HydrophobicContact CG-CB 4.47Å; L1065-C1076 HydrophobicContact CD1-CB 4.27Å; L1065-F1110 HydrophobicContact CD1-CD2 4.38Å; L1065-F1110 HydrophobicContact CD2-CB 4.01Å; L1065-F1110 HydrophobicContact CD2-CD2 3.48Å; L1065-F1110 VanDerWaalsContact CD2-CD2 3.48Å; L1065-F1110 HydrophobicContact CD2-CE2 4.21Å; L1065-F1110 HydrophobicContact CD2-CG 3.93Å; L1065-I1130 HydrophobicContact CD1-CG2 3.93Å; L1065-I1130 HydrophobicContact CD2-CB 4.44Å; L1065-I1130 HydrophobicContact CD2-CG2 4.29Å; L1065-I1130 HydrophobicContact CG-CG2 4.29Å; L1065-I1132 HydrophobicContact CD1-CD1 3.28Å; L1065-I1132 HydrophobicContact CD1-CG1 4.15Å |
| 1066 | G | 74.6 | Confident | 79.5 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | 60 | -128 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1062 K1068 | K1062-G1066 VanDerWaalsContact CD-O 3.28Å; K1062-G1066 WeakPolarHBondContact CD-O 3.13Å; K1062-G1066 WeakPolarHBondContact CE-O 3.21Å; K1062-G1066 PolarHBondContact NZ-O 3.17Å; K1062-G1066 WeakPolarHBondContact O-CA 3.33Å; K1062-G1066 PolarHBondContact O-N 3.46Å; G1066-K1068 PolarHBondContact O-N 3.45Å |
| 1067 | E | 70.6 | Confident | 79.6 | Confident | 174 Ų | 174 | 40 Ų | 40 | 81% | 0.813 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -71.5 | -16.6 | -179.6 | -63.5 | -173.3 | 164 | 0 | 0 | 113.6 | L1065 F1069 | L1065-E1067 PolarHBondContact O-N 3.03Å; E1067-F1069 VanDerWaalsContact C-N 3.27Å; E1067-F1069 PolarHBondContact O-N 3.04Å |
| 1068 | K | 76.2 | Confident | 79.9 | Confident | 137 Ų | 137 | 38.3 Ų | 38.3 | 60% | 0.596 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -70.9 | -22.8 | 178.4 | -56.6 | -176.5 | -179.7 | -178.5 | 0 | 113 | L1065 G1066 F1110 | L1065-K1068 WeakPolarHBondContact O-CB 3.15Å; L1065-K1068 PolarHBondContact O-N 3.01Å; L1065-K1068 VanDerWaalsContact O-N 3.16Å; G1066-K1068 PolarHBondContact O-N 3.45Å; K1068-F1110 HydrophobicContact CB-CE2 4.45Å; K1068-F1110 HydrophobicContact CB-CZ 4.22Å; K1068-F1110 HydrophobicContact CD-CD1 4.45Å; K1068-F1110 HydrophobicContact CD-CE1 3.76Å; K1068-F1110 HydrophobicContact CD-CZ 3.79Å |
| 1069 | F | 81.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | trans | -92.6 | 129.3 | 177.4 | 176 | -107.2 | 0 | 0 | 0 | 111.6 | Q1058 C1061 K1062 L1065 E1067 P1071 M1074 C1076 I1132 | Q1058-F1069 HydrophobicContact CB-CE1 4.32Å; C1061-F1069 HydrophobicContact CB-CD1 3.54Å; C1061-F1069 HydrophobicContact CB-CD2 3.8Å; C1061-F1069 HydrophobicContact CB-CE1 3.41Å; C1061-F1069 VanDerWaalsContact CB-CE1 3.41Å; C1061-F1069 HydrophobicContact CB-CE2 3.69Å; C1061-F1069 HydrophobicContact CB-CG 3.73Å; C1061-F1069 HydrophobicContact CB-CZ 3.49Å; C1061-F1069 VanDerWaalsContact CB-CZ 3.49Å; K1062-F1069 HydrophobicContact CB-CD1 4.39Å; L1065-F1069 HydrophobicContact CB-CB 3.7Å; L1065-F1069 HydrophobicContact CD1-CB 3.99Å; L1065-F1069 HydrophobicContact CD1-CD2 4.32Å; L1065-F1069 HydrophobicContact CG-CB 4.47Å; E1067-F1069 VanDerWaalsContact C-N 3.27Å; E1067-F1069 PolarHBondContact O-N 3.04Å; F1069-P1071 HydrophobicContact CD1-CG 3.98Å; F1069-P1071 HydrophobicContact CE1-CB 3.86Å; F1069-P1071 HydrophobicContact CE1-CG 3.72Å; F1069-P1071 HydrophobicContact CZ-CB 4.44Å; F1069-P1071 WeakPolarHBondContact O-CD 3.21Å; F1069-M1074 HydrophobicContact CD2-CB 4.13Å; F1069-M1074 HydrophobicContact CE2-CB 3.83Å; F1069-M1074 VanDerWaalsContact CE2-O 3.28Å; F1069-M1074 WeakPolarHBondContact CE2-O 3.36Å; F1069-M1074 VanDerWaalsContact CZ-O 3.31Å; F1069-M1074 WeakPolarHBondContact CZ-O 3.46Å; F1069-C1076 HydrophobicContact CD2-CB 4.33Å; F1069-C1076 HydrophobicContact CE2-CB 4.15Å; F1069-I1132 HydrophobicContact CD2-CD1 3.95Å | ||
| 1070 | L | 78.4 | Confident | 79.7 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | trans | -111.8 | 99.6 | 179 | -59.4 | -166.4 | 0 | 0 | 0 | 111.2 | F498 L999 S1072 A1073 M1074 | F498-L1070 HydrophobicContact CB-CD1 3.99Å; F498-L1070 HydrophobicContact CB-CD2 3.84Å; L999-L1070 HydrophobicContact CD1-CD1 3.39Å; L999-L1070 HydrophobicContact CD2-CD1 3.27Å; L999-L1070 HydrophobicContact CD2-CG 4.45Å; L999-L1070 HydrophobicContact CG-CD1 3.89Å; L1070-S1072 VanDerWaalsContact C-N 3.29Å; L1070-S1072 PolarHBondContact O-N 3.15Å; L1070-A1073 HydrophobicContact CB-CB 3.99Å; L1070-A1073 PolarHBondContact O-N 2.98Å; L1070-M1074 HydrophobicContact CB-CE 4.49Å; L1070-M1074 HydrophobicContact CB-CG 4.43Å; L1070-M1074 HydrophobicContact CB-SD 4.02Å; L1070-M1074 HydrophobicContact CD1-CE 4.39Å; L1070-M1074 HydrophobicContact CG-CE 4.38Å; L1070-M1074 HydrophobicContact CG-SD 4.32Å; L1070-M1074 WeakPolarHBondContact O-CB 3.08Å; L1070-M1074 PolarHBondContact O-N 2.98Å | ||
| 1071 | P | 79 | Confident | 79 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.7 | -170.7 | -20.6 | 28.2 | 0 | 0 | 0 | 115.2 | I517 Q1058 F1069 A1073 | I517-P1071 HydrophobicContact CD1-CB 4.34Å; I517-P1071 HydrophobicContact CD1-CG 3.66Å; I517-P1071 HydrophobicContact CG1-CG 4.48Å; Q1058-P1071 HydrophobicContact CG-CB 4.26Å; F1069-P1071 HydrophobicContact CD1-CG 3.98Å; F1069-P1071 HydrophobicContact CE1-CB 3.86Å; F1069-P1071 HydrophobicContact CE1-CG 3.72Å; F1069-P1071 HydrophobicContact CZ-CB 4.44Å; F1069-P1071 WeakPolarHBondContact O-CD 3.21Å; P1071-A1073 VanDerWaalsContact C-N 3.32Å |
| 1072 | S | 76.3 | Confident | 78.4 | Confident | 12 Ų | 12 | 49 Ų | 49 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15.1 | 179.4 | -79.4 | 0 | 0 | 0 | 0 | 114 | I520 L1070 | I520-S1072 PolarHBondContact N-OG 3.33Å; I520-S1072 PolarHBondContact O-OG 3.24Å; L1070-S1072 VanDerWaalsContact C-N 3.29Å; L1070-S1072 PolarHBondContact O-N 3.15Å |
| 1073 | A | 78.7 | Confident | 78.5 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -26.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y993 L1070 P1071 K1135 | Y993-A1073 HydrophobicContact CE2-CB 3.45Å; Y993-A1073 VanDerWaalsContact CE2-CB 3.45Å; Y993-A1073 VanDerWaalsContact OH-CB 3.27Å; Y993-A1073 WeakPolarHBondContact OH-CB 3.05Å; L1070-A1073 HydrophobicContact CB-CB 3.99Å; L1070-A1073 PolarHBondContact O-N 2.98Å; P1071-A1073 VanDerWaalsContact C-N 3.32Å; A1073-K1135 WeakPolarHBondContact O-CB 3.14Å; A1073-K1135 PolarHBondContact O-N 3.37Å |
| 1074 | M | 86.9 | Confident | 78.9 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145.3 | -165.2 | -61.8 | 169.6 | 179.4 | 0 | 0 | 111.1 | L999 V1002 F1069 L1070 I1132 F1133 | L999-M1074 HydrophobicContact CD2-CE 4.41Å; V1002-M1074 HydrophobicContact CB-CE 4.49Å; V1002-M1074 HydrophobicContact CG1-CE 3.77Å; V1002-M1074 HydrophobicContact CG2-CE 3.93Å; F1069-M1074 HydrophobicContact CD2-CB 4.13Å; F1069-M1074 HydrophobicContact CE2-CB 3.83Å; F1069-M1074 VanDerWaalsContact CE2-O 3.28Å; F1069-M1074 WeakPolarHBondContact CE2-O 3.36Å; F1069-M1074 VanDerWaalsContact CZ-O 3.31Å; F1069-M1074 WeakPolarHBondContact CZ-O 3.46Å; L1070-M1074 HydrophobicContact CB-CE 4.49Å; L1070-M1074 HydrophobicContact CB-CG 4.43Å; L1070-M1074 HydrophobicContact CB-SD 4.02Å; L1070-M1074 HydrophobicContact CD1-CE 4.39Å; L1070-M1074 HydrophobicContact CG-CE 4.38Å; L1070-M1074 HydrophobicContact CG-SD 4.32Å; L1070-M1074 WeakPolarHBondContact O-CB 3.08Å; L1070-M1074 PolarHBondContact O-N 2.98Å; M1074-I1132 HydrophobicContact CB-CG2 4.16Å; M1074-I1132 HydrophobicContact CE-CG2 4.41Å; M1074-I1132 HydrophobicContact CG-CG2 3.9Å; M1074-I1132 HydrophobicContact SD-CG2 3.7Å; M1074-F1133 CarbonylContact C-O 3.45Å; M1074-F1133 VanDerWaalsContact CA-O 3.26Å; M1074-F1133 WeakPolarHBondContact CA-O 3.5Å |
| 1075 | Y | 90.1 | Very high | 79.4 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 159.6 | 156.1 | -51.2 | -65.6 | 0 | 0 | 0 | 109 | M519 G1030 P1031 L1055 F1103 F1133 K1135 | M519-Y1075 HydrophobicContact SD-CE1 4.35Å; G1030-Y1075 VanDerWaalsContact CA-OH 3.31Å; G1030-Y1075 WeakPolarHBondContact CA-OH 3.45Å; P1031-Y1075 WeakPolarHBondContact CD-OH 3.41Å; P1031-Y1075 HydrophobicContact CG-CD1 4.23Å; P1031-Y1075 HydrophobicContact CG-CD2 4.17Å; P1031-Y1075 HydrophobicContact CG-CE1 4.05Å; P1031-Y1075 HydrophobicContact CG-CE2 3.96Å; P1031-Y1075 HydrophobicContact CG-CG 4.3Å; L1055-Y1075 HydrophobicContact CD1-CG 4.46Å; Y1075-F1103 HydrophobicContact CE2-CB 4.46Å; Y1075-F1133 PolarHBondContact N-O 3.13Å; Y1075-F1133 PolarHBondContact O-N 2.73Å; Y1075-K1135 HydrophobicContact CD2-CB 4.32Å; Y1075-K1135 HydrophobicContact CE2-CB 3.75Å; Y1075-K1135 HydrophobicContact CE2-CD 4.23Å; Y1075-K1135 HydrophobicContact CE2-CG 3.67Å; Y1075-K1135 VanDerWaalsContact OH-CD 3.28Å; Y1075-K1135 WeakPolarHBondContact OH-CD 3.33Å; Y1075-K1135 WeakPolarHBondContact OH-CE 3Å; Y1075-K1135 WeakPolarHBondContact OH-CG 3.28Å |
| 1076 | C | 90.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.6 | 168.3 | 89.9 | 0 | 0 | 0 | 0 | 110.9 | L1055 L1056 C1061 L1065 F1069 I1130 A1131 I1132 | L1055-C1076 VanDerWaalsContact CD1-O 3.26Å; L1055-C1076 WeakPolarHBondContact CD1-O 2.99Å; L1056-C1076 PolarHBondContact N-O 3.21Å; C1061-C1076 WeakPolarHBondContact CA-SG 3.18Å; C1061-C1076 HydrophobicContact CB-CB 3.99Å; C1061-C1076 WeakPolarHBondContact CB-SG 3.4Å; C1061-C1076 WeakPolarHBondContact SG-CB 3.32Å; C1061-C1076 CovalentContact SG-SG 2.02Å; C1061-C1076 PolarHBondContact SG-SG 3.14Å; L1065-C1076 HydrophobicContact CD1-CB 4.27Å; F1069-C1076 HydrophobicContact CD2-CB 4.33Å; F1069-C1076 HydrophobicContact CE2-CB 4.15Å; C1076-I1130 HydrophobicContact CB-CG2 3.93Å; C1076-A1131 CarbonylContact C-O 3.45Å; C1076-A1131 WeakPolarHBondContact CA-O 3.34Å; C1076-A1131 WeakPolarHBondContact CB-O 3.44Å; C1076-I1132 HydrophobicContact CB-CD1 3.71Å |
| 1077 | G | 89.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1054 A1131 | Q1054-G1077 CarbonylContact O-C 3.58Å; Q1054-G1077 WeakPolarHBondContact O-CA 3.43Å; G1077-A1131 PolarHBondContact N-O 2.67Å; G1077-A1131 PolarHBondContact O-N 3.47Å |
| 1078 | V | 86.1 | Confident | 81.7 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.4 | 174.2 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | Y1053 Q1054 L1056 D1128 I1130 | Y1053-V1078 WeakPolarHBondContact CA-O 3.44Å; Q1054-V1078 HydrophobicContact CB-CG2 3.91Å; Q1054-V1078 HydrophobicContact CG-CG2 4.49Å; Q1054-V1078 PolarHBondContact N-O 3.34Å; Q1054-V1078 PolarHBondContact O-N 3.26Å; L1056-V1078 HydrophobicContact CD1-CG1 4.08Å; L1056-V1078 HydrophobicContact CD2-CG2 4.39Å; V1078-D1128 HydrophobicContact CB-CB 4.35Å; V1078-I1130 HydrophobicContact CG1-CG1 3.97Å |
| 1079 | G | 80 | Confident | 82.5 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 170.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1080 | R | 72.5 | Confident | 83 | Confident | 134 Ų | 134 | 32.2 Ų | 32.2 | 51% | 0.506 | 15% | 0.151 | S | C | . | . | trans | -76 | 129.5 | -178.4 | -65.9 | -179.7 | -178.5 | 172.1 | 2 | 110.9 | I1083 | R1080-I1083 HydrophobicContact CB-CD1 3.78Å; R1080-I1083 HydrophobicContact CB-CG1 4.03Å; R1080-I1083 HydrophobicContact CG-CD1 4.44Å | ||
| 1081 | K | 65.8 | Low | 83.7 | Confident | 127 Ų | 127 | 31.7 Ų | 31.7 | 55% | 0.552 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -69.3 | -45.4 | -178.1 | -177.3 | -176.4 | 176.5 | -175.8 | 0 | 113.2 | I1083 | K1081-I1083 PolarHBondContact O-N 2.86Š|
| 1082 | E | 69.6 | Low | 84.4 | Confident | 117 Ų | 117 | 31.6 Ų | 31.6 | 55% | 0.547 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -2.7 | -166 | -68.3 | 164.2 | -162.9 | 0 | 0 | 114.8 | ||
| 1083 | I | 77.6 | Confident | 85 | Confident | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -40.4 | -179.7 | -61.7 | -179.6 | 0 | 0 | 0 | 111.5 | H830 C1043 V1049 A1051 R1080 K1081 | H830-I1083 HydrophobicContact CB-CB 4.48Å; H830-I1083 HydrophobicContact CB-CD1 3.75Å; H830-I1083 HydrophobicContact CB-CG1 3.83Å; H830-I1083 HydrophobicContact CB-CG2 3.94Å; C1043-I1083 WeakPolarHBondContact CA-O 3.4Å; C1043-I1083 VanDerWaalsContact CB-O 3.26Å; C1043-I1083 WeakPolarHBondContact CB-O 3.48Å; V1049-I1083 HydrophobicContact CB-CG2 4.49Å; V1049-I1083 HydrophobicContact CG2-CG2 3.88Å; A1051-I1083 HydrophobicContact CB-CB 4.33Å; A1051-I1083 HydrophobicContact CB-CD1 4.27Å; A1051-I1083 HydrophobicContact CB-CG2 4.04Å; R1080-I1083 HydrophobicContact CB-CD1 3.78Å; R1080-I1083 HydrophobicContact CB-CG1 4.03Å; R1080-I1083 HydrophobicContact CG-CD1 4.44Å; K1081-I1083 PolarHBondContact O-N 2.86Å |
| 1084 | L | 83.9 | Confident | 85.5 | Confident | 11 Ų | 11 | 30.9 Ų | 30.9 | 6% | 0.058 | 14% | 0.142 | C | C | . | . | trans | -107.1 | 122.3 | -170.5 | -62.8 | 178.4 | 0 | 0 | 0 | 110.2 | V1039 V1049 A1051 P1087 | V1039-L1084 HydrophobicContact CB-CD1 3.99Å; V1039-L1084 HydrophobicContact CG1-CD1 3.46Å; V1039-L1084 VanDerWaalsContact CG1-CD1 3.46Å; V1049-L1084 HydrophobicContact CG2-CD2 3.46Å; V1049-L1084 VanDerWaalsContact CG2-CD2 3.46Å; A1051-L1084 HydrophobicContact CB-CD1 4.1Å; A1051-L1084 HydrophobicContact CB-CD2 4.49Å; A1051-L1084 HydrophobicContact CB-CG 4.15Å; L1084-P1087 HydrophobicContact CB-CB 3.9Å; L1084-P1087 HydrophobicContact CB-CG 4.5Å; L1084-P1087 HydrophobicContact CD1-CB 4.03Å | ||
| 1085 | Q | 82.6 | Confident | 85.4 | Confident | 77 Ų | 77 | 37.1 Ų | 37.1 | 36% | 0.36 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -72.3 | -43.4 | -178.3 | -167.2 | -179.7 | 17.7 | 0 | 0 | 112 | V1042 | V1042-Q1085 PolarHBondContact O-N 2.92Š|
| 1086 | Y | 87.8 | Confident | 84.6 | Confident | 64 Ų | 64 | 37.7 Ų | 37.7 | 25% | 0.251 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -130 | 68.5 | -178.2 | -57.5 | -72.7 | 0 | 0 | 0 | 110.9 | P927 T930 V1088 | P927-Y1086 HydrophobicContact CB-CD2 4.37Å; P927-Y1086 HydrophobicContact CB-CE1 4.23Å; P927-Y1086 HydrophobicContact CB-CE2 3.75Å; P927-Y1086 HydrophobicContact CG-CE1 4.21Å; P927-Y1086 HydrophobicContact CG-CE2 4.02Å; P927-Y1086 WeakPolarHBondContact CG-OH 3.24Å; T930-Y1086 WeakPolarHBondContact CB-O 3.33Å; T930-Y1086 PolarHBondContact OG1-O 3.43Å; Y1086-V1088 VanDerWaalsContact C-N 3.3Å; Y1086-V1088 PolarHBondContact O-N 3.19Å |
| 1087 | P | 90.9 | Very high | 83.6 | Confident | 27 Ų | 27 | 40 Ų | 40 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | trans | -69.4 | -23.4 | -169.6 | 27.5 | -35.1 | 0 | 0 | 0 | 113.9 | L1084 G1089 S1090 Y1106 | L1084-P1087 HydrophobicContact CB-CB 3.9Å; L1084-P1087 HydrophobicContact CB-CG 4.5Å; L1084-P1087 HydrophobicContact CD1-CB 4.03Å; P1087-G1089 PolarHBondContact O-N 2.63Å; P1087-S1090 WeakPolarHBondContact O-CB 3.5Å; P1087-S1090 PolarHBondContact O-N 2.68Å; P1087-S1090 PolarHBondContact O-OG 3.16Å; P1087-S1090 VanDerWaalsContact O-OG 3.12Å; P1087-Y1106 HydrophobicContact CB-CD1 4.03Å; P1087-Y1106 HydrophobicContact CB-CD2 4.16Å; P1087-Y1106 HydrophobicContact CB-CE1 3.83Å; P1087-Y1106 HydrophobicContact CB-CE2 3.96Å; P1087-Y1106 HydrophobicContact CB-CG 4.21Å; P1087-Y1106 HydrophobicContact CG-CE1 3.97Å; P1087-Y1106 VanDerWaalsContact O-CB 3.25Å; P1087-Y1106 WeakPolarHBondContact O-CB 3.37Å; P1087-Y1106 WeakPolarHBondContact O-CD1 3.27Å | ||
| 1088 | V | 92.4 | Very high | 82.6 | Confident | 38 Ų | 38 | 43 Ų | 43 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 130.8 | 179.2 | -178.7 | 0 | 0 | 0 | 0 | 110 | C929 T930 A948 C951 Y1086 S1090 D1107 | C929-V1088 HydrophobicContact CB-CB 4.31Å; C929-V1088 WeakPolarHBondContact CB-O 3.34Å; T930-V1088 PolarHBondContact N-O 3.17Å; A948-V1088 HydrophobicContact CB-CG1 4.26Å; C951-V1088 HydrophobicContact CB-CG1 4.28Å; Y1086-V1088 VanDerWaalsContact C-N 3.3Å; Y1086-V1088 PolarHBondContact O-N 3.19Å; V1088-S1090 VanDerWaalsContact C-N 3.29Å; V1088-S1090 PolarHBondContact O-N 2.94Å; V1088-D1107 WeakPolarHBondContact CG1-O 3.49Å; V1088-D1107 WeakPolarHBondContact CG2-O 2.99Å |
| 1089 | G | 92.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -6.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T930 T947 P1087 Y1106 | T930-G1089 CarbonylContact O-C 3.52Å; T930-G1089 VanDerWaalsContact O-C 3.31Å; T930-G1089 WeakPolarHBondContact O-CA 3.28Å; T947-G1089 WeakPolarHBondContact OG1-CA 3.21Å; P1087-G1089 PolarHBondContact O-N 2.63Å; G1089-Y1106 PolarHBondContact N-O 2.79Å |
| 1090 | S | 93.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -62.8 | 143.5 | 175.7 | -73.3 | 0 | 0 | 0 | 0 | 112.7 | T930 S1040 P1087 V1088 Y1106 | T930-S1090 WeakPolarHBondContact CB-OG 3.24Å; T930-S1090 WeakPolarHBondContact CG2-OG 3.13Å; S1040-S1090 WeakPolarHBondContact O-CB 3.33Å; S1040-S1090 PolarHBondContact O-OG 3.29Å; S1040-S1090 VanDerWaalsContact O-OG 3.1Å; P1087-S1090 WeakPolarHBondContact O-CB 3.5Å; P1087-S1090 PolarHBondContact O-N 2.68Å; P1087-S1090 PolarHBondContact O-OG 3.16Å; P1087-S1090 VanDerWaalsContact O-OG 3.12Å; V1088-S1090 VanDerWaalsContact C-N 3.29Å; V1088-S1090 PolarHBondContact O-N 2.94Å; S1090-Y1106 WeakPolarHBondContact O-CB 3.3Å; S1090-Y1106 PolarHBondContact O-N 3.17Å | ||
| 1091 | P | 92.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 135.1 | 179.2 | 31 | -34.5 | 0 | 0 | 0 | 112.5 | T932 V1039 S1040 L1093 Q1102 | T932-P1091 HydrophobicContact CG2-CB 4.18Å; T932-P1091 HydrophobicContact CG2-CG 4.01Å; T932-P1091 WeakPolarHBondContact OG1-CB 3.26Å; T932-P1091 WeakPolarHBondContact OG1-CD 3.02Å; T932-P1091 WeakPolarHBondContact OG1-CG 3.1Å; V1039-P1091 WeakPolarHBondContact CA-O 3.48Å; S1040-P1091 PolarHBondContact N-O 3.13Å; S1040-P1091 WeakPolarHBondContact O-CD 3.4Å; P1091-L1093 HydrophobicContact CB-CD2 3.69Å; P1091-L1093 HydrophobicContact CB-CG 4.4Å; P1091-L1093 HydrophobicContact CG-CD2 4.07Å; P1091-L1093 HydrophobicContact CG-CG 4.44Å; P1091-L1093 PolarHBondContact O-N 3.23Å; P1091-Q1102 HydrophobicContact CB-CG 3.74Å |
| 1092 | L | 93 | Very high | 83.8 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 105.3 | 166.2 | 179.5 | 68.6 | 0 | 0 | 0 | 109.7 | C1037 V1039 L1055 Q1102 F1103 G1104 F1133 | C1037-L1092 HydrophobicContact CB-CD1 4.03Å; V1039-L1092 HydrophobicContact CG2-CD1 4.14Å; L1055-L1092 HydrophobicContact CD1-CD2 4.31Å; L1092-Q1102 CarbonylContact O-C 3.46Å; L1092-Q1102 WeakPolarHBondContact O-CA 3.41Å; L1092-F1103 PolarHBondContact O-N 3.16Å; L1092-G1104 PolarHBondContact N-O 2.89Å; L1092-F1133 HydrophobicContact CB-CD1 3.73Å; L1092-F1133 HydrophobicContact CB-CE1 4.1Å; L1092-F1133 HydrophobicContact CB-CG 4.25Å; L1092-F1133 HydrophobicContact CD1-CD1 4.23Å; L1092-F1133 HydrophobicContact CD1-CE1 3.96Å; L1092-F1133 HydrophobicContact CD1-CE2 4.31Å; L1092-F1133 HydrophobicContact CD1-CZ 4Å; L1092-F1133 HydrophobicContact CD2-CB 4.01Å; L1092-F1133 HydrophobicContact CD2-CD1 4.09Å; L1092-F1133 HydrophobicContact CD2-CD2 4.02Å; L1092-F1133 HydrophobicContact CD2-CG 3.77Å; L1092-F1133 HydrophobicContact CG-CD1 4.23Å; L1092-F1133 HydrophobicContact CG-CE1 4.43Å; L1092-F1133 HydrophobicContact CG-CG 4.4Å |
| 1093 | L | 89.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.1 | -178.1 | -48.2 | -175.2 | 0 | 0 | 0 | 109.6 | P910 L1022 C1037 F1038 P1091 W1100 V1101 Q1102 | P910-L1093 HydrophobicContact CB-CD1 3.81Å; P910-L1093 HydrophobicContact CG-CD1 3.89Å; L1022-L1093 HydrophobicContact CD1-CD1 4Å; L1022-L1093 HydrophobicContact CD1-CD2 3.27Å; L1022-L1093 HydrophobicContact CD1-CG 4.28Å; L1022-L1093 HydrophobicContact CD2-CD1 4.25Å; L1022-L1093 HydrophobicContact CD2-CD2 3.79Å; L1022-L1093 HydrophobicContact CG-CD2 4.03Å; C1037-L1093 CarbonylContact C-O 3.53Å; C1037-L1093 WeakPolarHBondContact CA-O 3.27Å; F1038-L1093 PolarHBondContact N-O 3.49Å; F1038-L1093 PolarHBondContact O-N 2.83Å; P1091-L1093 HydrophobicContact CB-CD2 3.69Å; P1091-L1093 HydrophobicContact CB-CG 4.4Å; P1091-L1093 HydrophobicContact CG-CD2 4.07Å; P1091-L1093 HydrophobicContact CG-CG 4.44Å; P1091-L1093 PolarHBondContact O-N 3.23Å; L1093-W1100 HydrophobicContact CB-CE3 4.16Å; L1093-V1101 WeakPolarHBondContact CA-O 3.3Å; L1093-Q1102 HydrophobicContact CD2-CB 4.08Å; L1093-Q1102 HydrophobicContact CD2-CG 4.32Å |
| 1094 | C | 89.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143.8 | 174.4 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | P1031 M1035 Y1036 C1037 S1096 V1101 F1103 | P1031-C1094 HydrophobicContact CB-CB 4.45Å; M1035-C1094 HydrophobicContact CB-CB 4.24Å; M1035-C1094 HydrophobicContact SD-CB 4.33Å; Y1036-C1094 WeakPolarHBondContact O-CA 3.29Å; C1037-C1094 HydrophobicContact CB-CB 4.11Å; C1037-C1094 WeakPolarHBondContact CB-SG 3.47Å; C1037-C1094 WeakPolarHBondContact SG-CB 3.42Å; C1037-C1094 CovalentContact SG-SG 2.04Å; C1037-C1094 PolarHBondContact SG-SG 3.18Å; C1094-S1096 PolarHBondContact O-N 3.06Å; C1094-V1101 PolarHBondContact N-O 2.8Å; C1094-V1101 PolarHBondContact O-N 2.67Å; C1094-F1103 HydrophobicContact CB-CD2 3.59Å; C1094-F1103 HydrophobicContact CB-CE2 3.8Å |
| 1095 | R | 83.7 | Confident | 85.8 | Confident | 137 Ų | 137 | 31.9 Ų | 31.9 | 52% | 0.517 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 111.3 | 176 | -167.8 | 172.6 | 67.8 | 173.6 | -0.3 | 110 | Y1036 W1100 | Y1036-R1095 PolarHBondContact O-N 3.18Å; R1095-W1100 HydrophobicContact CB-CD2 4.46Å; R1095-W1100 HydrophobicContact CB-CE3 4.12Å; R1095-W1100 HydrophobicContact CB-CH2 3.8Å; R1095-W1100 HydrophobicContact CB-CZ2 4.15Å; R1095-W1100 HydrophobicContact CB-CZ3 3.79Å; R1095-W1100 HydrophobicContact CG-CZ2 4.46Å |
| 1096 | S | 73.8 | Confident | 86.3 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 17% | 0.168 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.7 | 177.1 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | C1094 G1098 K1099 | C1094-S1096 PolarHBondContact O-N 3.06Å; S1096-G1098 PolarHBondContact O-N 2.93Å; S1096-G1098 VanDerWaalsContact O-N 3.16Å; S1096-K1099 PolarHBondContact N-O 2.78Å; S1096-K1099 PolarHBondContact O-N 2.81Å |
| 1097 | A | 69.3 | Low | 86.4 | Confident | 50 Ų | 50 | 25.6 Ų | 25.6 | 41% | 0.413 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 28.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V583 K1099 | V583-A1097 HydrophobicContact CG2-CB 3.39Å; A1097-K1099 VanDerWaalsContact C-N 3.31Å |
| 1098 | G | 69.4 | Low | 86.3 | Confident | 63 Ų | 63 | 26.5 Ų | 26.5 | 65% | 0.649 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78 | 9.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1096 | S1096-G1098 PolarHBondContact O-N 2.93Å; S1096-G1098 VanDerWaalsContact O-N 3.16Å |
| 1099 | K | 74.7 | Confident | 86 | Confident | 152 Ų | 152 | 26.6 Ų | 26.6 | 66% | 0.661 | 15% | 0.149 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150.8 | 174.4 | -62.8 | -173.2 | 179 | -174 | 0 | 110.9 | S1096 A1097 | S1096-K1099 PolarHBondContact N-O 2.78Å; S1096-K1099 PolarHBondContact O-N 2.81Å; A1097-K1099 VanDerWaalsContact C-N 3.31Å |
| 1100 | W | 81.2 | Confident | 85.3 | Confident | 13 Ų | 13 | 28.7 Ų | 28.7 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.2 | 171.4 | -65.9 | 105.8 | 0 | 0 | 0 | 110.3 | H908 L909 P910 L1022 P1023 Y1036 F1038 L1093 R1095 | H908-W1100 PolarHBondContact O-NE1 3.23Å; L909-W1100 HydrophobicContact CD2-CZ2 4.37Å; P910-W1100 HydrophobicContact CB-CB 4.19Å; P910-W1100 HydrophobicContact CB-CD2 3.88Å; P910-W1100 HydrophobicContact CB-CE3 4.48Å; P910-W1100 HydrophobicContact CB-CG 3.67Å; P910-W1100 VanDerWaalsContact CD-CE2 3.4Å; P910-W1100 HydrophobicContact CG-CD2 3.77Å; P910-W1100 HydrophobicContact CG-CE3 4.04Å; P910-W1100 HydrophobicContact CG-CG 4.14Å; P910-W1100 HydrophobicContact CG-CZ2 4.29Å; P910-W1100 HydrophobicContact CG-CZ3 4.4Å; L1022-W1100 HydrophobicContact CD2-CB 3.98Å; P1023-W1100 VanDerWaalsContact CD-O 3.32Å; P1023-W1100 WeakPolarHBondContact CD-O 3.08Å; P1023-W1100 WeakPolarHBondContact CG-O 3.34Å; Y1036-W1100 HydrophobicContact CD1-CH2 4.23Å; Y1036-W1100 WeakPolarHBondContact O-CZ3 3.22Å; F1038-W1100 AromaticContact CD2-CH2 3.55Å; F1038-W1100 HydrophobicContact CD2-CH2 3.55Å; F1038-W1100 HydrophobicContact CD2-CZ2 4.46Å; F1038-W1100 AromaticContact CD2-CZ3 3.74Å; F1038-W1100 HydrophobicContact CD2-CZ3 3.74Å; F1038-W1100 AromaticContact CE2-CH2 3.6Å; F1038-W1100 HydrophobicContact CE2-CH2 3.6Å; F1038-W1100 HydrophobicContact CE2-CZ2 4.33Å; F1038-W1100 HydrophobicContact CE2-CZ3 4.26Å; L1093-W1100 HydrophobicContact CB-CE3 4.16Å; R1095-W1100 HydrophobicContact CB-CD2 4.46Å; R1095-W1100 HydrophobicContact CB-CE3 4.12Å; R1095-W1100 HydrophobicContact CB-CH2 3.8Å; R1095-W1100 HydrophobicContact CB-CZ2 4.15Å; R1095-W1100 HydrophobicContact CB-CZ3 3.79Å; R1095-W1100 HydrophobicContact CG-CZ2 4.46Å |
| 1101 | V | 83.8 | Confident | 84.1 | Confident | 17 Ų | 17 | 32.8 Ų | 32.8 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135 | -178.1 | 180 | 0 | 0 | 0 | 0 | 108.2 | P1023 P1025 L1093 C1094 F1103 | P1023-V1101 HydrophobicContact CG-CG2 4.27Å; P1023-V1101 WeakPolarHBondContact O-CG1 3.2Å; P1025-V1101 HydrophobicContact CB-CG1 4.16Å; L1093-V1101 WeakPolarHBondContact CA-O 3.3Å; C1094-V1101 PolarHBondContact N-O 2.8Å; C1094-V1101 PolarHBondContact O-N 2.67Å; V1101-F1103 HydrophobicContact CB-CD2 4.06Å; V1101-F1103 HydrophobicContact CB-CE2 3.66Å; V1101-F1103 HydrophobicContact CB-CZ 4.25Å; V1101-F1103 HydrophobicContact CG1-CD2 4.06Å; V1101-F1103 HydrophobicContact CG1-CE1 4.47Å; V1101-F1103 HydrophobicContact CG1-CE2 3.83Å; V1101-F1103 HydrophobicContact CG1-CZ 4.06Å; V1101-F1103 WeakPolarHBondContact O-CD2 3.48Å; V1101-F1103 PolarHBondContact O-N 3.12Å |
| 1102 | Q | 89.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 96 | 177.2 | -177.2 | -175.6 | -13.5 | 0 | 0 | 110 | L1022 P1023 L1024 P1025 P1091 L1092 L1093 L1136 | L1022-Q1102 HydrophobicContact CB-CB 4.13Å; P1023-Q1102 PolarHBondContact O-N 2.88Å; P1023-Q1102 VanDerWaalsContact O-N 3.08Å; L1024-Q1102 HydrophobicContact CD2-CB 4.42Å; P1025-Q1102 WeakPolarHBondContact CD-O 3.31Å; P1091-Q1102 HydrophobicContact CB-CG 3.74Å; L1092-Q1102 CarbonylContact O-C 3.46Å; L1092-Q1102 WeakPolarHBondContact O-CA 3.41Å; L1093-Q1102 HydrophobicContact CD2-CB 4.08Å; L1093-Q1102 HydrophobicContact CD2-CG 4.32Å; Q1102-L1136 HydrophobicContact CG-CD1 3.86Å |
| 1103 | F | 89.2 | Confident | 80 | Confident | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -20 | -176.9 | -79 | -83.6 | 0 | 0 | 0 | 114.2 | P1025 G1030 P1031 M1035 Y1075 L1092 C1094 V1101 L1136 | P1025-F1103 HydrophobicContact CB-CD1 3.77Å; P1025-F1103 HydrophobicContact CB-CE1 3.8Å; P1025-F1103 HydrophobicContact CG-CD1 4.1Å; G1030-F1103 VanDerWaalsContact C-CE1 3.46Å; P1031-F1103 HydrophobicContact CB-CB 4.34Å; P1031-F1103 HydrophobicContact CB-CD1 4.1Å; P1031-F1103 HydrophobicContact CB-CD2 4.04Å; P1031-F1103 HydrophobicContact CB-CE1 4.35Å; P1031-F1103 HydrophobicContact CB-CE2 4.28Å; P1031-F1103 HydrophobicContact CB-CG 3.9Å; P1031-F1103 HydrophobicContact CB-CZ 4.42Å; P1031-F1103 VanDerWaalsContact CD-CD1 3.41Å; P1031-F1103 HydrophobicContact CG-CB 3.92Å; P1031-F1103 HydrophobicContact CG-CD1 4.03Å; P1031-F1103 HydrophobicContact CG-CG 3.92Å; M1035-F1103 HydrophobicContact SD-CE2 4.2Å; M1035-F1103 HydrophobicContact SD-CZ 4.26Å; Y1075-F1103 HydrophobicContact CE2-CB 4.46Å; L1092-F1103 PolarHBondContact O-N 3.16Å; C1094-F1103 HydrophobicContact CB-CD2 3.59Å; C1094-F1103 HydrophobicContact CB-CE2 3.8Å; V1101-F1103 HydrophobicContact CB-CD2 4.06Å; V1101-F1103 HydrophobicContact CB-CE2 3.66Å; V1101-F1103 HydrophobicContact CB-CZ 4.25Å; V1101-F1103 HydrophobicContact CG1-CD2 4.06Å; V1101-F1103 HydrophobicContact CG1-CE1 4.47Å; V1101-F1103 HydrophobicContact CG1-CE2 3.83Å; V1101-F1103 HydrophobicContact CG1-CZ 4.06Å; V1101-F1103 WeakPolarHBondContact O-CD2 3.48Å; V1101-F1103 PolarHBondContact O-N 3.12Å; F1103-L1136 PolarHBondContact O-N 2.87Å |
| 1104 | G | 91.3 | Very high | 77.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 178.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1092 I1134 | L1092-G1104 PolarHBondContact N-O 2.89Å; G1104-I1134 CarbonylContact C-O 3.59Å; G1104-I1134 WeakPolarHBondContact CA-O 3.49Å |
| 1105 | I | 92.6 | Very high | 75.2 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.5 | 177.2 | -54.6 | -175.5 | 0 | 0 | 0 | 107.9 | T947 A948 M1004 D1107 F1133 I1134 L1136 | T947-I1105 WeakPolarHBondContact O-CD1 3.37Å; A948-I1105 HydrophobicContact CB-CG2 3.94Å; M1004-I1105 HydrophobicContact CB-CD1 3.89Å; I1105-D1107 PolarHBondContact O-N 2.99Å; I1105-F1133 CarbonylContact O-C 3.46Å; I1105-F1133 VanDerWaalsContact O-CA 3.24Å; I1105-F1133 WeakPolarHBondContact O-CA 3.35Å; I1105-I1134 PolarHBondContact N-O 2.76Å; I1105-I1134 PolarHBondContact O-N 3.04Å; I1105-L1136 HydrophobicContact CD1-CD1 4.16Å; I1105-L1136 HydrophobicContact CD1-CD2 3.9Å; I1105-L1136 HydrophobicContact CD1-CG 4.38Å; I1105-L1136 HydrophobicContact CG1-CD1 3.66Å; I1105-L1136 HydrophobicContact CG1-CD2 4.07Å; I1105-L1136 HydrophobicContact CG1-CG 4Å |
| 1106 | Y | 93.5 | Very high | 72.7 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 124.5 | 173.6 | -169.2 | -65.4 | 0 | 0 | 0 | 109.4 | V1039 Y1053 P1087 G1089 S1090 S1109 A1131 F1133 | V1039-Y1106 HydrophobicContact CG1-CD2 4.24Å; V1039-Y1106 HydrophobicContact CG2-CD2 4.4Å; Y1053-Y1106 HydrophobicContact CE1-CE2 4.33Å; P1087-Y1106 HydrophobicContact CB-CD1 4.03Å; P1087-Y1106 HydrophobicContact CB-CD2 4.16Å; P1087-Y1106 HydrophobicContact CB-CE1 3.83Å; P1087-Y1106 HydrophobicContact CB-CE2 3.96Å; P1087-Y1106 HydrophobicContact CB-CG 4.21Å; P1087-Y1106 HydrophobicContact CG-CE1 3.97Å; P1087-Y1106 VanDerWaalsContact O-CB 3.25Å; P1087-Y1106 WeakPolarHBondContact O-CB 3.37Å; P1087-Y1106 WeakPolarHBondContact O-CD1 3.27Å; G1089-Y1106 PolarHBondContact N-O 2.79Å; S1090-Y1106 WeakPolarHBondContact O-CB 3.3Å; S1090-Y1106 PolarHBondContact O-N 3.17Å; Y1106-S1109 WeakPolarHBondContact OH-CB 2.95Å; Y1106-A1131 HydrophobicContact CD2-CB 4.11Å; Y1106-A1131 HydrophobicContact CE2-CB 3.41Å; Y1106-A1131 VanDerWaalsContact CE2-CB 3.41Å; Y1106-F1133 HydrophobicContact CD2-CD1 4.33Å; Y1106-F1133 AromaticContact CD2-CE1 3.53Å; Y1106-F1133 HydrophobicContact CD2-CE1 3.53Å; Y1106-F1133 AromaticContact CD2-CZ 4Å; Y1106-F1133 HydrophobicContact CD2-CZ 4Å; Y1106-F1133 HydrophobicContact CE2-CE1 4.4Å; Y1106-F1133 HydrophobicContact CE2-CZ 4.46Å; Y1106-F1133 HydrophobicContact CG-CD1 4.5Å; Y1106-F1133 HydrophobicContact CG-CE1 4.1Å |
| 1107 | D | 89.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -56.6 | 179.7 | -170.6 | 69.9 | 0 | 0 | 0 | 112.1 | R950 V1088 I1105 I1132 I1134 | R950-D1107 IonicContact CZ-OD2 2.77Å; R950-D1107 IonicContact NE-OD1 3.16Å; R950-D1107 IonicContact NE-OD2 3.43Å; R950-D1107 PolarHBondContact NE-OD2 3.45Å; R950-D1107 VanDerWaalsContact NE-OD2 3.12Å; R950-D1107 IonicContact NH2-OD2 2.74Å; V1088-D1107 WeakPolarHBondContact CG1-O 3.49Å; V1088-D1107 WeakPolarHBondContact CG2-O 2.99Å; I1105-D1107 PolarHBondContact O-N 2.99Å; D1107-I1132 PolarHBondContact N-O 3.37Å; D1107-I1134 HydrophobicContact CB-CD1 3.68Å; D1107-I1134 HydrophobicContact CB-CG1 3.79Å; D1107-I1134 VanDerWaalsContact OD1-CD1 3.28Å; D1107-I1134 WeakPolarHBondContact OD1-CD1 3.48Å |
| 1108 | H | 88.7 | Confident | 68.6 | Low | 47 Ų | 47 | 55.5 Ų | 55.5 | 22% | 0.218 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 166.5 | 178.2 | 61.3 | -80.1 | 0 | 0 | 0 | 110.5 | F1110 I1132 | H1108-F1110 AromaticContact CD2-CE2 3.48Å; H1108-F1110 VanDerWaalsContact CD2-CE2 3.48Å; H1108-F1110 WeakPolarHBondContact CD2-CE2 3.36Å; H1108-F1110 AromaticContact CD2-CZ 3.59Å; H1108-F1110 AromaticContact NE2-CE2 3.05Å; H1108-F1110 WeakPolarHBondContact NE2-CE2 3.33Å; H1108-F1110 AromaticContact NE2-CZ 3.18Å; H1108-F1110 WeakPolarHBondContact NE2-CZ 3.44Å; H1108-I1132 PolarHBondContact O-N 2.73Å |
| 1109 | S | 86.6 | Confident | 66.8 | Low | 39 Ų | 39 | 57.8 Ų | 57.8 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 155.7 | 166.9 | 60 | 0 | 0 | 0 | 0 | 112 | Y1106 D1129 I1130 | Y1106-S1109 WeakPolarHBondContact OH-CB 2.95Å; S1109-D1129 PolarHBondContact OG-OD2 2.75Å; S1109-I1130 WeakPolarHBondContact CA-O 3.46Å |
| 1110 | F | 77.5 | Confident | 64.5 | Low | 44 Ų | 44 | 55.9 Ų | 55.9 | 19% | 0.193 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.5 | 159.3 | -65.1 | -79.2 | 0 | 0 | 0 | 108.6 | L1065 K1068 H1108 A1112 I1130 I1132 | L1065-F1110 HydrophobicContact CD1-CD2 4.38Å; L1065-F1110 HydrophobicContact CD2-CB 4.01Å; L1065-F1110 HydrophobicContact CD2-CD2 3.48Å; L1065-F1110 VanDerWaalsContact CD2-CD2 3.48Å; L1065-F1110 HydrophobicContact CD2-CE2 4.21Å; L1065-F1110 HydrophobicContact CD2-CG 3.93Å; K1068-F1110 HydrophobicContact CB-CE2 4.45Å; K1068-F1110 HydrophobicContact CB-CZ 4.22Å; K1068-F1110 HydrophobicContact CD-CD1 4.45Å; K1068-F1110 HydrophobicContact CD-CE1 3.76Å; K1068-F1110 HydrophobicContact CD-CZ 3.79Å; H1108-F1110 AromaticContact CD2-CE2 3.48Å; H1108-F1110 VanDerWaalsContact CD2-CE2 3.48Å; H1108-F1110 WeakPolarHBondContact CD2-CE2 3.36Å; H1108-F1110 AromaticContact CD2-CZ 3.59Å; H1108-F1110 AromaticContact NE2-CE2 3.05Å; H1108-F1110 WeakPolarHBondContact NE2-CE2 3.33Å; H1108-F1110 AromaticContact NE2-CZ 3.18Å; H1108-F1110 WeakPolarHBondContact NE2-CZ 3.44Å; F1110-A1112 PolarHBondContact O-N 2.7Å; F1110-A1112 VanDerWaalsContact O-N 3.16Å; F1110-I1130 PolarHBondContact N-O 3.23Å; F1110-I1130 PolarHBondContact O-N 2.75Å; F1110-I1132 HydrophobicContact CD2-CG1 4.3Å; F1110-I1132 HydrophobicContact CE2-CG1 4.06Å |
| 1111 | P | 66.1 | Low | 62.2 | Low | 86 Ų | 86 | 59.9 Ų | 59.9 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | trans | -50.4 | 127.6 | 160.9 | -19.9 | 30.7 | 0 | 0 | 0 | 107.2 | V1113 D1129 | P1111-V1113 WeakPolarHBondContact O-CG2 3.36Å; P1111-V1113 PolarHBondContact O-N 2.8Å; P1111-D1129 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 1112 | A | 56.5 | Low | 59.7 | Low | 14 Ų | 14 | 68.5 Ų | 68.5 | 12% | 0.116 | 43% | 0.425 | C | S | . | . | trans | -60.8 | 94.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | F1110 A1114 L1127 D1128 I1130 | F1110-A1112 PolarHBondContact O-N 2.7Å; F1110-A1112 VanDerWaalsContact O-N 3.16Å; A1112-A1114 PolarHBondContact O-N 3.1Å; A1112-L1127 HydrophobicContact CB-CD2 4.11Å; A1112-L1127 HydrophobicContact CB-CG 4.29Å; A1112-L1127 WeakPolarHBondContact O-CD2 3.39Å; A1112-D1128 WeakPolarHBondContact CB-O 3.29Å; A1112-I1130 HydrophobicContact CB-CG1 4.48Å | ||
| 1113 | V | 44.6 | Very low | 57 | Low | 118 Ų | 118 | 75.5 Ų | 75.5 | 72% | 0.715 | 46% | 0.463 | S | S | * | . | trans | -57.2 | 112.2 | -168.5 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | P1111 S1115 | P1111-V1113 WeakPolarHBondContact O-CG2 3.36Å; P1111-V1113 PolarHBondContact O-N 2.8Å; V1113-S1115 VanDerWaalsContact C-N 3.27Å; V1113-S1115 PolarHBondContact O-N 3.09Å | ||
| 1114 | A | 39.8 | Very low | 54.1 | Low | 79 Ų | 79 | 84.3 Ų | 84.3 | 65% | 0.653 | 50% | 0.504 | S | S | * | . | trans | -58.1 | 102.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | A1112 G1116 | A1112-A1114 PolarHBondContact O-N 3.1Å; A1114-G1116 PolarHBondContact O-N 3.13Å | ||
| 1115 | S | 38.5 | Very low | 51.6 | Low | 76 Ų | 76 | 91.2 Ų | 91.2 | 53% | 0.531 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -63.6 | 96.9 | -171.8 | -163.3 | 0 | 0 | 0 | 0 | 109.8 | M279 V1113 | M279-S1115 WeakPolarHBondContact CE-OG 3.29Å; V1113-S1115 VanDerWaalsContact C-N 3.27Å; V1113-S1115 PolarHBondContact O-N 3.09Å |
| 1116 | G | 31 | Very low | 49 | Very low | 59 Ų | 59 | 96 Ų | 96 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 95.8 | 103.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | A1114 | A1114-G1116 PolarHBondContact O-N 3.13Š|
| 1117 | R | 27.2 | Very low | 46.8 | Very low | 253 Ų | 253 | 99.9 Ų | 99.9 | 96% | 0.955 | 59% | 0.585 | S | S | * | * | trans | 21 | 114 | 145.6 | -73.3 | 176.8 | 173.9 | 175.7 | -3.1 | 118.2 | ||||
| 1118 | A | 29.9 | Very low | 45.4 | Very low | 91 Ų | 91 | 102.3 Ų | 102.3 | 75% | 0.752 | 60% | 0.598 | S | S | * | * | 165.9 | 146.7 | 109.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1119 | S | 30.7 | Very low | 44.7 | Very low | 111 Ų | 111 | 100.7 Ų | 100.7 | 78% | 0.776 | 59% | 0.591 | S | S | * | * | trans | 63.6 | 112.6 | 164.8 | 58.8 | 0 | 0 | 0 | 0 | 118.7 | S1121 | S1119-S1121 PolarHBondContact O-N 2.64Š| ||
| 1120 | A | 27.6 | Very low | 44.7 | Very low | 111 Ų | 111 | 99 Ų | 99 | 92% | 0.917 | 58% | 0.579 | S | S | * | * | trans | -49.9 | 119 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1121 | S | 31 | Very low | 45.3 | Very low | 98 Ų | 98 | 97 Ų | 97 | 69% | 0.685 | 57% | 0.57 | S | S | * | * | trans | -132.5 | 125.2 | 157.2 | 62.2 | 0 | 0 | 0 | 0 | 106.2 | S1119 N1123 | S1119-S1121 PolarHBondContact O-N 2.64Å; S1121-N1123 PolarHBondContact O-N 3.44Å | ||
| 1122 | E | 32 | Very low | 46.5 | Very low | 197 Ų | 197 | 92.9 Ų | 92.9 | 92% | 0.921 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -63.6 | 21.7 | -163.9 | -68.4 | 174.9 | 141.8 | 0 | 0 | 117.1 | ||
| 1123 | N | 32.2 | Very low | 48.2 | Very low | 148 Ų | 148 | 92.2 Ų | 92.2 | 79% | 0.791 | 54% | 0.538 | S | S | * | . | trans | -109.9 | 70.8 | 169.8 | -71.5 | -18.7 | 0 | 0 | 0 | 109.3 | S1121 I1125 | S1121-N1123 PolarHBondContact O-N 3.44Å; N1123-I1125 PolarHBondContact O-N 3.24Å; N1123-I1125 VanDerWaalsContact O-N 3.1Å | ||
| 1124 | E | 29.4 | Very low | 50.3 | Low | 190 Ų | 190 | 86.6 Ų | 86.6 | 89% | 0.888 | 50% | 0.504 | S | S | * | . | trans | -69.9 | 102.8 | -179.4 | -136.4 | 172.3 | -170 | 0 | 0 | 109.6 | I1126 | E1124-I1126 PolarHBondContact O-N 2.75Š| ||
| 1125 | I | 38 | Very low | 52.5 | Low | 145 Ų | 145 | 83.2 Ų | 83.2 | 74% | 0.744 | 47% | 0.474 | S | S | * | . | trans | -69.2 | 116.7 | 172.3 | -59.8 | 170.8 | 0 | 0 | 0 | 107 | N1123 L1127 | N1123-I1125 PolarHBondContact O-N 3.24Å; N1123-I1125 VanDerWaalsContact O-N 3.1Å; I1125-L1127 PolarHBondContact O-N 3.48Å | ||
| 1126 | I | 38.9 | Very low | 54.5 | Low | 102 Ų | 102 | 79.6 Ų | 79.6 | 52% | 0.523 | 45% | 0.449 | S | S | . | . | trans | -52.8 | 104.7 | 174.9 | -56.4 | 169.5 | 0 | 0 | 0 | 108.3 | E1124 | E1124-I1126 PolarHBondContact O-N 2.75Š| ||
| 1127 | L | 47.8 | Very low | 56.4 | Low | 89 Ų | 89 | 77.2 Ų | 77.2 | 47% | 0.466 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 123.2 | -177.3 | -147.1 | 72.8 | 0 | 0 | 0 | 108.3 | A1112 I1125 D1129 | A1112-L1127 HydrophobicContact CB-CD2 4.11Å; A1112-L1127 HydrophobicContact CB-CG 4.29Å; A1112-L1127 WeakPolarHBondContact O-CD2 3.39Å; I1125-L1127 PolarHBondContact O-N 3.48Å; L1127-D1129 PolarHBondContact O-N 2.77Å; L1127-D1129 VanDerWaalsContact O-N 3.15Å |
| 1128 | D | 60.1 | Low | 58.2 | Low | 52 Ų | 52 | 66.2 Ų | 66.2 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 117.9 | 176.8 | -69.7 | -41.3 | 0 | 0 | 0 | 110.1 | V1078 A1112 | V1078-D1128 HydrophobicContact CB-CB 4.35Å; A1112-D1128 WeakPolarHBondContact CB-O 3.29Å |
| 1129 | D | 73.7 | Confident | 59.6 | Low | 13 Ų | 13 | 65.1 Ų | 65.1 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 147.1 | 172.7 | -91.6 | 10.9 | 0 | 0 | 0 | 110.5 | S1109 P1111 L1127 A1131 | S1109-D1129 PolarHBondContact OG-OD2 2.75Å; P1111-D1129 WeakPolarHBondContact CA-OD1 3.45Å; L1127-D1129 PolarHBondContact O-N 2.77Å; L1127-D1129 VanDerWaalsContact O-N 3.15Å; D1129-A1131 PolarHBondContact O-N 3.46Å |
| 1130 | I | 85.5 | Confident | 61.1 | Low | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 103.7 | 170.3 | -58.8 | 177.1 | 0 | 0 | 0 | 107.4 | H1064 L1065 C1076 V1078 S1109 F1110 A1112 | H1064-I1130 HydrophobicContact CB-CD1 3.44Å; H1064-I1130 VanDerWaalsContact CB-CD1 3.44Å; L1065-I1130 HydrophobicContact CD1-CG2 3.93Å; L1065-I1130 HydrophobicContact CD2-CB 4.44Å; L1065-I1130 HydrophobicContact CD2-CG2 4.29Å; L1065-I1130 HydrophobicContact CG-CG2 4.29Å; C1076-I1130 HydrophobicContact CB-CG2 3.93Å; V1078-I1130 HydrophobicContact CG1-CG1 3.97Å; S1109-I1130 WeakPolarHBondContact CA-O 3.46Å; F1110-I1130 PolarHBondContact N-O 3.23Å; F1110-I1130 PolarHBondContact O-N 2.75Å; A1112-I1130 HydrophobicContact CB-CG1 4.48Å |
| 1131 | A | 90.5 | Very high | 62.6 | Low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 139.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y1053 C1076 G1077 Y1106 D1129 F1133 | Y1053-A1131 HydrophobicContact CD1-CB 4.2Å; Y1053-A1131 HydrophobicContact CE1-CB 3.5Å; C1076-A1131 CarbonylContact C-O 3.45Å; C1076-A1131 WeakPolarHBondContact CA-O 3.34Å; C1076-A1131 WeakPolarHBondContact CB-O 3.44Å; G1077-A1131 PolarHBondContact N-O 2.67Å; G1077-A1131 PolarHBondContact O-N 3.47Å; Y1106-A1131 HydrophobicContact CD2-CB 4.11Å; Y1106-A1131 HydrophobicContact CE2-CB 3.41Å; Y1106-A1131 VanDerWaalsContact CE2-CB 3.41Å; D1129-A1131 PolarHBondContact O-N 3.46Å; A1131-F1133 HydrophobicContact CB-CE2 3.78Å; A1131-F1133 HydrophobicContact CB-CZ 3.74Å |
| 1132 | I | 91.1 | Very high | 63.7 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.7 | 170.5 | -68.6 | -57.7 | 0 | 0 | 0 | 109.1 | L1065 F1069 M1074 C1076 D1107 H1108 F1110 | L1065-I1132 HydrophobicContact CD1-CD1 3.28Å; L1065-I1132 HydrophobicContact CD1-CG1 4.15Å; F1069-I1132 HydrophobicContact CD2-CD1 3.95Å; M1074-I1132 HydrophobicContact CB-CG2 4.16Å; M1074-I1132 HydrophobicContact CE-CG2 4.41Å; M1074-I1132 HydrophobicContact CG-CG2 3.9Å; M1074-I1132 HydrophobicContact SD-CG2 3.7Å; C1076-I1132 HydrophobicContact CB-CD1 3.71Å; D1107-I1132 PolarHBondContact N-O 3.37Å; H1108-I1132 PolarHBondContact O-N 2.73Å; F1110-I1132 HydrophobicContact CD2-CG1 4.3Å; F1110-I1132 HydrophobicContact CE2-CG1 4.06Å |
| 1133 | F | 92.3 | Very high | 64.8 | Low | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.5 | 175.8 | -57.1 | -82.9 | 0 | 0 | 0 | 109.5 | V1039 Y1053 M1074 Y1075 L1092 I1105 Y1106 A1131 K1135 | V1039-F1133 HydrophobicContact CG2-CE1 3.44Å; V1039-F1133 VanDerWaalsContact CG2-CE1 3.44Å; V1039-F1133 HydrophobicContact CG2-CZ 3.64Å; Y1053-F1133 HydrophobicContact CD1-CE2 4Å; Y1053-F1133 AromaticContact CD1-CZ 3.61Å; Y1053-F1133 HydrophobicContact CD1-CZ 3.61Å; Y1053-F1133 HydrophobicContact CE1-CE2 4.5Å; Y1053-F1133 AromaticContact CE1-CZ 3.93Å; Y1053-F1133 HydrophobicContact CE1-CZ 3.93Å; Y1053-F1133 HydrophobicContact CG-CZ 4.02Å; M1074-F1133 CarbonylContact C-O 3.45Å; M1074-F1133 VanDerWaalsContact CA-O 3.26Å; M1074-F1133 WeakPolarHBondContact CA-O 3.5Å; Y1075-F1133 PolarHBondContact N-O 3.13Å; Y1075-F1133 PolarHBondContact O-N 2.73Å; L1092-F1133 HydrophobicContact CB-CD1 3.73Å; L1092-F1133 HydrophobicContact CB-CE1 4.1Å; L1092-F1133 HydrophobicContact CB-CG 4.25Å; L1092-F1133 HydrophobicContact CD1-CD1 4.23Å; L1092-F1133 HydrophobicContact CD1-CE1 3.96Å; L1092-F1133 HydrophobicContact CD1-CE2 4.31Å; L1092-F1133 HydrophobicContact CD1-CZ 4Å; L1092-F1133 HydrophobicContact CD2-CB 4.01Å; L1092-F1133 HydrophobicContact CD2-CD1 4.09Å; L1092-F1133 HydrophobicContact CD2-CD2 4.02Å; L1092-F1133 HydrophobicContact CD2-CG 3.77Å; L1092-F1133 HydrophobicContact CG-CD1 4.23Å; L1092-F1133 HydrophobicContact CG-CE1 4.43Å; L1092-F1133 HydrophobicContact CG-CG 4.4Å; I1105-F1133 CarbonylContact O-C 3.46Å; I1105-F1133 VanDerWaalsContact O-CA 3.24Å; I1105-F1133 WeakPolarHBondContact O-CA 3.35Å; Y1106-F1133 HydrophobicContact CD2-CD1 4.33Å; Y1106-F1133 AromaticContact CD2-CE1 3.53Å; Y1106-F1133 HydrophobicContact CD2-CE1 3.53Å; Y1106-F1133 AromaticContact CD2-CZ 4Å; Y1106-F1133 HydrophobicContact CD2-CZ 4Å; Y1106-F1133 HydrophobicContact CE2-CE1 4.4Å; Y1106-F1133 HydrophobicContact CE2-CZ 4.46Å; Y1106-F1133 HydrophobicContact CG-CD1 4.5Å; Y1106-F1133 HydrophobicContact CG-CE1 4.1Å; A1131-F1133 HydrophobicContact CB-CE2 3.78Å; A1131-F1133 HydrophobicContact CB-CZ 3.74Å; F1133-K1135 PolarHBondContact O-N 2.66Å |
| 1134 | I | 88.8 | Confident | 65.8 | Low | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.4 | 173.3 | -59.9 | 167.2 | 0 | 0 | 0 | 108.5 | F992 V1002 G1003 G1104 I1105 D1107 | F992-I1134 HydrophobicContact CD2-CG2 3.57Å; F992-I1134 HydrophobicContact CE2-CG2 3.36Å; V1002-I1134 HydrophobicContact CG1-CD1 3.79Å; V1002-I1134 HydrophobicContact CG1-CG1 3.8Å; V1002-I1134 HydrophobicContact CG1-CG2 4.41Å; G1003-I1134 VanDerWaalsContact O-CD1 3.26Å; G1003-I1134 WeakPolarHBondContact O-CD1 3.36Å; G1104-I1134 CarbonylContact C-O 3.59Å; G1104-I1134 WeakPolarHBondContact CA-O 3.49Å; I1105-I1134 PolarHBondContact N-O 2.76Å; I1105-I1134 PolarHBondContact O-N 3.04Å; D1107-I1134 HydrophobicContact CB-CD1 3.68Å; D1107-I1134 HydrophobicContact CB-CG1 3.79Å; D1107-I1134 VanDerWaalsContact OD1-CD1 3.28Å; D1107-I1134 WeakPolarHBondContact OD1-CD1 3.48Å |
| 1135 | K | 86.5 | Confident | 67 | Low | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 133.9 | -178.9 | 177.2 | 176.7 | 178.7 | -165.5 | 0 | 111.4 | A1073 Y1075 F1133 E1137 | A1073-K1135 WeakPolarHBondContact O-CB 3.14Å; A1073-K1135 PolarHBondContact O-N 3.37Å; Y1075-K1135 HydrophobicContact CD2-CB 4.32Å; Y1075-K1135 HydrophobicContact CE2-CB 3.75Å; Y1075-K1135 HydrophobicContact CE2-CD 4.23Å; Y1075-K1135 HydrophobicContact CE2-CG 3.67Å; Y1075-K1135 VanDerWaalsContact OH-CD 3.28Å; Y1075-K1135 WeakPolarHBondContact OH-CD 3.33Å; Y1075-K1135 WeakPolarHBondContact OH-CE 3Å; Y1075-K1135 WeakPolarHBondContact OH-CG 3.28Å; F1133-K1135 PolarHBondContact O-N 2.66Å; K1135-E1137 VanDerWaalsContact CE-OE1 3.28Å; K1135-E1137 WeakPolarHBondContact CE-OE1 3.35Å; K1135-E1137 IonicContact NZ-OE1 3.08Å; K1135-E1137 PolarHBondContact NZ-OE1 2.9Å |
| 1136 | L | 81.3 | Confident | 67.4 | Low | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -103.5 | 149.9 | 170 | -67 | 172.3 | 0 | 0 | 0 | 111.4 | M1004 L1024 P1025 Q1102 F1103 I1105 | M1004-L1136 HydrophobicContact CB-CD2 4.43Å; M1004-L1136 HydrophobicContact SD-CD2 3.94Å; L1024-L1136 HydrophobicContact CD2-CB 4.27Å; L1024-L1136 HydrophobicContact CD2-CD1 3.77Å; P1025-L1136 HydrophobicContact CG-CB 4.48Å; P1025-L1136 WeakPolarHBondContact CG-O 3.36Å; Q1102-L1136 HydrophobicContact CG-CD1 3.86Å; F1103-L1136 PolarHBondContact O-N 2.87Å; I1105-L1136 HydrophobicContact CD1-CD1 4.16Å; I1105-L1136 HydrophobicContact CD1-CD2 3.9Å; I1105-L1136 HydrophobicContact CD1-CG 4.38Å; I1105-L1136 HydrophobicContact CG1-CD1 3.66Å; I1105-L1136 HydrophobicContact CG1-CD2 4.07Å; I1105-L1136 HydrophobicContact CG1-CG 4Å |
| 1137 | E | 70.9 | Confident | 67.5 | Low | 9 Ų | 9 | 37.3 Ų | 37.3 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | trans | -135.4 | 148.1 | 172.4 | -61.9 | -165.6 | 172.4 | 0 | 0 | 110.7 | R522 K1135 N1139 D1140 | R522-E1137 VanDerWaalsContact CB-OE1 3.26Å; R522-E1137 WeakPolarHBondContact CB-OE1 3.28Å; K1135-E1137 VanDerWaalsContact CE-OE1 3.28Å; K1135-E1137 WeakPolarHBondContact CE-OE1 3.35Å; K1135-E1137 IonicContact NZ-OE1 3.08Å; K1135-E1137 PolarHBondContact NZ-OE1 2.9Å; E1137-N1139 PolarHBondContact O-N 3.45Å; E1137-D1140 PolarHBondContact N-OD2 3.16Å; E1137-D1140 WeakPolarHBondContact O-CB 2.94Å; E1137-D1140 VanDerWaalsContact O-CG 3.22Å; E1137-D1140 PolarHBondContact O-N 3.38Å | ||
| 1138 | G | 63.6 | Low | 66.9 | Low | 22 Ų | 22 | 41.4 Ų | 41.4 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | P1025 D1140 | P1025-G1138 WeakPolarHBondContact O-CA 3.36Å; P1025-G1138 PolarHBondContact O-N 3.32Å; G1138-D1140 VanDerWaalsContact C-N 3.27Å |
| 1139 | N | 60.8 | Low | 65.7 | Low | 67 Ų | 67 | 43.4 Ų | 43.4 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -3.1 | 176.3 | -66.7 | -4.7 | 0 | 0 | 0 | 113 | E1137 P1142 R1143 | E1137-N1139 PolarHBondContact O-N 3.45Å; N1139-P1142 WeakPolarHBondContact O-CD 3.49Å; N1139-R1143 VanDerWaalsContact O-CB 3.24Å; N1139-R1143 WeakPolarHBondContact O-CB 3.45Å; N1139-R1143 PolarHBondContact O-N 2.99Å; N1139-R1143 VanDerWaalsContact O-N 3.14Å |
| 1140 | D | 60.8 | Low | 63.4 | Low | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -54 | -175.8 | -85.2 | -24.8 | 0 | 0 | 0 | 112.9 | R522 M1004 E1137 G1138 R1143 V1144 | R522-D1140 IonicContact CZ-OD1 2.67Å; R522-D1140 IonicContact CZ-OD2 3.49Å; R522-D1140 IonicContact NH1-OD1 3.35Å; R522-D1140 PolarHBondContact NH1-OD1 3.04Å; R522-D1140 IonicContact NH1-OD2 3.71Å; R522-D1140 PolarHBondContact NH1-OD2 2.88Å; R522-D1140 IonicContact NH2-OD1 3.52Å; R522-D1140 PolarHBondContact NH2-OD1 3.24Å; M1004-D1140 HydrophobicContact CE-CB 3.32Å; M1004-D1140 HydrophobicContact SD-CB 3.74Å; E1137-D1140 PolarHBondContact N-OD2 3.16Å; E1137-D1140 WeakPolarHBondContact O-CB 2.94Å; E1137-D1140 VanDerWaalsContact O-CG 3.22Å; E1137-D1140 PolarHBondContact O-N 3.38Å; G1138-D1140 VanDerWaalsContact C-N 3.27Å; D1140-R1143 WeakPolarHBondContact O-CB 3.12Å; D1140-R1143 PolarHBondContact O-N 3.32Å; D1140-V1144 WeakPolarHBondContact O-CG2 3.04Å; D1140-V1144 PolarHBondContact O-N 2.04Å |
| 1141 | V | 59.2 | Low | 60.6 | Low | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -48.3 | -177.7 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | Y934 L946 M1006 L1024 R1143 V1144 Q1145 | Y934-V1141 HydrophobicContact CD1-CG1 4.18Å; Y934-V1141 HydrophobicContact CE1-CB 4.3Å; Y934-V1141 HydrophobicContact CE1-CG1 3.65Å; Y934-V1141 HydrophobicContact CE1-CG2 4.26Å; Y934-V1141 HydrophobicContact CE2-CG2 4.23Å; L946-V1141 HydrophobicContact CD1-CG2 4.14Å; L946-V1141 HydrophobicContact CD2-CG2 4.14Å; M1006-V1141 HydrophobicContact CE-CB 4.2Å; M1006-V1141 HydrophobicContact CE-CG1 3.48Å; M1006-V1141 VanDerWaalsContact CE-CG1 3.48Å; M1006-V1141 HydrophobicContact CE-CG2 3.71Å; L1024-V1141 HydrophobicContact CD1-CB 4.32Å; L1024-V1141 HydrophobicContact CD1-CG2 3.43Å; L1024-V1141 VanDerWaalsContact CD1-CG2 3.43Å; V1141-R1143 VanDerWaalsContact C-N 3.26Å; V1141-R1143 PolarHBondContact O-N 3.19Å; V1141-V1144 PolarHBondContact O-N 3.3Å; V1141-Q1145 WeakPolarHBondContact O-CG 3.19Å; V1141-Q1145 PolarHBondContact O-N 3.2Å |
| 1142 | P | 55.2 | Low | 57.6 | Low | 55 Ų | 55 | 65.6 Ų | 65.6 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.7 | -36.1 | 173.4 | -23.3 | 32.2 | 0 | 0 | 0 | 113.5 | N1139 Q1145 N1146 | N1139-P1142 WeakPolarHBondContact O-CD 3.49Å; P1142-Q1145 PolarHBondContact O-N 3.34Å; P1142-N1146 PolarHBondContact O-N 2.95Å; P1142-N1146 VanDerWaalsContact O-N 3.1Å |
| 1143 | R | 54.7 | Low | 54.4 | Low | 130 Ų | 130 | 71.4 Ų | 71.4 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.9 | -41.6 | -178.7 | -165.7 | 175.3 | -174.9 | 165.1 | 1.6 | 111.7 | N1139 D1140 V1141 Q1145 N1146 F1147 | N1139-R1143 VanDerWaalsContact O-CB 3.24Å; N1139-R1143 WeakPolarHBondContact O-CB 3.45Å; N1139-R1143 PolarHBondContact O-N 2.99Å; N1139-R1143 VanDerWaalsContact O-N 3.14Å; D1140-R1143 WeakPolarHBondContact O-CB 3.12Å; D1140-R1143 PolarHBondContact O-N 3.32Å; V1141-R1143 VanDerWaalsContact C-N 3.26Å; V1141-R1143 PolarHBondContact O-N 3.19Å; R1143-Q1145 PolarHBondContact O-N 3.37Å; R1143-N1146 PolarHBondContact O-N 3.37Å; R1143-F1147 HydrophobicContact CG-CE2 4.32Å; R1143-F1147 WeakPolarHBondContact O-CD2 3.31Å; R1143-F1147 PolarHBondContact O-N 2.98Å |
| 1144 | V | 52.7 | Low | 51.2 | Low | 4 Ų | 4 | 79.3 Ų | 79.3 | 2% | 0.024 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.6 | -40.6 | 173.5 | -177 | 0 | 0 | 0 | 0 | 111.4 | Y988 T990 M1004 M1006 D1140 V1141 N1146 F1147 | Y988-V1144 HydrophobicContact CG-CG1 4.32Å; T990-V1144 HydrophobicContact CG2-CB 4.27Å; T990-V1144 HydrophobicContact CG2-CG1 4.13Å; T990-V1144 HydrophobicContact CG2-CG2 4.03Å; T990-V1144 VanDerWaalsContact OG1-CG2 3.26Å; T990-V1144 WeakPolarHBondContact OG1-CG2 3.36Å; M1004-V1144 HydrophobicContact CE-CG2 3.03Å; M1004-V1144 HydrophobicContact SD-CG2 4.14Å; M1006-V1144 HydrophobicContact CB-CG1 4.11Å; D1140-V1144 WeakPolarHBondContact O-CG2 3.04Å; D1140-V1144 PolarHBondContact O-N 2.04Å; V1141-V1144 PolarHBondContact O-N 3.3Å; V1144-N1146 VanDerWaalsContact C-N 3.33Å; V1144-F1147 PolarHBondContact O-N 3.18Å |
| 1145 | Q | 54.8 | Low | 48.4 | Very low | 56 Ų | 56 | 90 Ų | 90 | 26% | 0.262 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.8 | -28 | -178.9 | -68 | -176.3 | -19.7 | 0 | 0 | 113.4 | E944 V1141 P1142 R1143 | E944-Q1145 PolarHBondContact OE1-NE2 3.37Å; V1141-Q1145 WeakPolarHBondContact O-CG 3.19Å; V1141-Q1145 PolarHBondContact O-N 3.2Å; P1142-Q1145 PolarHBondContact O-N 3.34Å; R1143-Q1145 PolarHBondContact O-N 3.37Å |
| 1146 | N | 46.8 | Very low | 46.5 | Very low | 140 Ų | 140 | 94.1 Ų | 94.1 | 75% | 0.749 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -81 | -14.5 | 177.3 | -78.2 | -3.3 | 0 | 0 | 0 | 113.4 | P1142 R1143 V1144 K1148 | P1142-N1146 PolarHBondContact O-N 2.95Å; P1142-N1146 VanDerWaalsContact O-N 3.1Å; R1143-N1146 PolarHBondContact O-N 3.37Å; V1144-N1146 VanDerWaalsContact C-N 3.33Å; N1146-K1148 PolarHBondContact O-N 3.37Å |
| 1147 | F | 41 | Very low | 44.7 | Very low | 129 Ų | 129 | 99 Ų | 99 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | trans | -70.8 | 57.1 | 159.4 | -79.9 | -83.5 | 0 | 0 | 0 | 109.5 | T990 R1143 V1144 V1149 | T990-F1147 HydrophobicContact CG2-CD2 3.97Å; T990-F1147 HydrophobicContact CG2-CE2 4.37Å; R1143-F1147 HydrophobicContact CG-CE2 4.32Å; R1143-F1147 WeakPolarHBondContact O-CD2 3.31Å; R1143-F1147 PolarHBondContact O-N 2.98Å; V1144-F1147 PolarHBondContact O-N 3.18Å; F1147-V1149 VanDerWaalsContact C-N 3.25Å; F1147-V1149 PolarHBondContact O-N 2.9Å | ||
| 1148 | K | 34.6 | Very low | 43.2 | Very low | 175 Ų | 175 | 104 Ų | 104 | 76% | 0.761 | 53% | 0.534 | S | S | * | . | trans | -65.8 | 99.1 | 153.6 | -82.2 | -177.1 | 174.6 | -177.8 | 0 | 105.1 | N1146 E1150 | N1146-K1148 PolarHBondContact O-N 3.37Å; K1148-E1150 PolarHBondContact O-N 3.36Å; K1148-E1150 VanDerWaalsContact O-N 3.08Å | ||
| 1149 | V | 34 | Very low | 42 | Very low | 93 Ų | 93 | 108.8 Ų | 108.8 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | trans | 32.7 | 77.9 | 130.4 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | F1147 E1151 | F1147-V1149 VanDerWaalsContact C-N 3.25Å; F1147-V1149 PolarHBondContact O-N 2.9Å; V1149-E1151 HydrophobicContact CG1-CB 3.34Å; V1149-E1151 HydrophobicContact CG1-CG 3.47Å; V1149-E1151 VanDerWaalsContact CG1-CG 3.47Å; V1149-E1151 WeakPolarHBondContact CG1-OE2 3.07Å; V1149-E1151 PolarHBondContact O-N 2.96Å | ||
| 1150 | E | 26.4 | Very low | 40.9 | Very low | 204 Ų | 204 | 111.4 Ų | 111.4 | 95% | 0.953 | 56% | 0.564 | S | S | * | * | trans | -69.1 | 60.4 | 144.8 | -77 | 177.1 | 154.5 | 0 | 0 | 106.8 | K1148 | K1148-E1150 PolarHBondContact O-N 3.36Å; K1148-E1150 VanDerWaalsContact O-N 3.08Å | ||
| 1151 | E | 26.3 | Very low | 39.5 | Very low | 149 Ų | 149 | 118.6 Ų | 118.6 | 70% | 0.696 | 60% | 0.601 | S | S | * | * | trans | -81.6 | 115.9 | 158.6 | -85.3 | 167.4 | 160.4 | 0 | 0 | 106.3 | V1149 | V1149-E1151 HydrophobicContact CG1-CB 3.34Å; V1149-E1151 HydrophobicContact CG1-CG 3.47Å; V1149-E1151 VanDerWaalsContact CG1-CG 3.47Å; V1149-E1151 WeakPolarHBondContact CG1-OE2 3.07Å; V1149-E1151 PolarHBondContact O-N 2.96Å | ||
| 1152 | N | 27 | Very low | 38.1 | Very low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 64% | 0.643 | S | S | * | * | trans | 66.1 | 56.7 | 145.9 | -57.5 | -7.9 | 0 | 0 | 0 | 118 | I1154 | N1152-I1154 VanDerWaalsContact C-N 3.29Š| ||
| 1153 | S | 24.9 | Very low | 36.8 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 86% | 0.86 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -90.3 | 12.9 | 151.8 | -178.6 | 0 | 0 | 0 | 0 | 113 | ||
| 1154 | I | 25.7 | Very low | 35.3 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 85% | 0.851 | 68% | 0.679 | S | S | * | * | trans | -113 | 75.6 | 166.5 | -50 | 176.7 | 0 | 0 | 0 | 107.1 | N1152 | N1152-I1154 VanDerWaalsContact C-N 3.29Š| ||
| 1155 | L | 29.6 | Very low | 33.7 | Very low | 224 Ų | 224 | 144.5 Ų | 144.5 | 100% | 1.173 | 74% | 0.739 | S | S | * | * | trans | -135.4 | 0 | 154.6 | -116.7 | 161.7 | 0 | 0 | 0 | 106.5 |
Retrieved 1,155 of 1,155 residues in 873.5 ms
(Link to these results)