| 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 | 37.6 | Very low | 51.8 | Low | 240 Ų | 240 | 140.8 Ų | 140.8 | 100% | 1.182 | 81% | 0.811 | S | S | * | * | 0 | 102 | 0 | -70.1 | 172.5 | 173.2 | 0 | 0 | 107.3 | |||||
| 2 | Y | 36 | Very low | 54.5 | Low | 236 Ų | 236 | 133.8 Ų | 133.8 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -84 | 119 | 178 | -65.7 | -80.7 | 0 | 0 | 0 | 108.3 | K4 | Y2-K4 PolarHBondContact O-N 2.85Š| ||
| 3 | A | 43 | Very low | 57.1 | Low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -60.6 | 107.1 | 174 | 0 | 0 | 0 | 0 | 0 | 108.2 | G5 | A3-G5 PolarHBondContact O-N 3.17Š| ||
| 4 | K | 44.6 | Very low | 59.3 | Low | 204 Ų | 204 | 129.1 Ų | 129.1 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | trans | -55.5 | 111.4 | 172.6 | -171.3 | 169.1 | -178.7 | 174.8 | 0 | 107.1 | Y2 K6 | Y2-K4 PolarHBondContact O-N 2.85Å; K4-K6 PolarHBondContact O-N 3.34Å | ||
| 5 | G | 49.8 | Very low | 61.2 | Low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | trans | -48.6 | 132.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A3 G7 | A3-G5 PolarHBondContact O-N 3.17Å; G5-G7 PolarHBondContact O-N 2.73Å | ||
| 6 | K | 48.3 | Very low | 63 | Low | 211 Ų | 211 | 122.2 Ų | 122.2 | 92% | 0.917 | 71% | 0.711 | S | S | * | * | trans | -48.3 | 112 | 169.1 | -71.9 | 176.8 | 174.8 | 178.2 | 0 | 106.6 | K4 A8 | K4-K6 PolarHBondContact O-N 3.34Å; K6-A8 PolarHBondContact O-N 3.31Å | ||
| 7 | G | 45.2 | Very low | 64.6 | Low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | trans | -51.7 | 129.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | G5 V9 | G5-G7 PolarHBondContact O-N 2.73Å; G7-V9 VanDerWaalsContact C-N 3.25Å; G7-V9 PolarHBondContact O-N 3.26Å | ||
| 8 | A | 56.7 | Low | 66.1 | Low | 101 Ų | 101 | 123 Ų | 123 | 84% | 0.835 | 69% | 0.69 | S | S | * | * | trans | -59.7 | 98.4 | 170 | 0 | 0 | 0 | 0 | 0 | 106.5 | K6 V10 | K6-A8 PolarHBondContact O-N 3.31Å; A8-V10 PolarHBondContact O-N 3.01Å; A8-V10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | V | 63.8 | Low | 67.4 | Low | 124 Ų | 124 | 122.8 Ų | 122.8 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.9 | 171.9 | 172.3 | 0 | 0 | 0 | 0 | 105.1 | G7 | G7-V9 VanDerWaalsContact C-N 3.25Å; G7-V9 PolarHBondContact O-N 3.26Å |
| 10 | V | 70 | Confident | 68.7 | Low | 124 Ų | 124 | 121.3 Ų | 121.3 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 124.5 | 173.5 | 178.6 | 0 | 0 | 0 | 0 | 106.7 | A8 S12 | A8-V10 PolarHBondContact O-N 3.01Å; A8-V10 VanDerWaalsContact O-N 3.15Å; V10-S12 PolarHBondContact O-N 3.47Å |
| 11 | P | 74.8 | Confident | 69.9 | Low | 81 Ų | 81 | 116.2 Ų | 116.2 | 53% | 0.526 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 131.2 | -178.8 | 21.9 | -30.7 | 0 | 0 | 0 | 108.7 | Q15 | P11-Q15 HydrophobicContact CB-CB 4.35Š|
| 12 | S | 84.4 | Confident | 72.6 | Confident | 57 Ų | 57 | 106.1 Ų | 106.1 | 40% | 0.399 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 154.8 | 174.9 | 65.4 | 0 | 0 | 0 | 0 | 110 | V10 S14 Q15 A16 | V10-S12 PolarHBondContact O-N 3.47Å; S12-S14 PolarHBondContact O-N 2.98Å; S12-Q15 WeakPolarHBondContact O-CA 3.49Å; S12-Q15 WeakPolarHBondContact O-CB 3.43Å; S12-Q15 PolarHBondContact O-N 3.24Å; S12-Q15 WeakPolarHBondContact OG-CG 3.49Å; S12-A16 PolarHBondContact O-N 3.43Å |
| 13 | D | 88.5 | Confident | 75.3 | Confident | 131 Ų | 131 | 97.6 Ų | 97.6 | 70% | 0.701 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -53.4 | -32.2 | 177.2 | -70 | -52.9 | 0 | 0 | 0 | 112.6 | A16 R17 | D13-A16 PolarHBondContact O-N 3.21Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 WeakPolarHBondContact O-CG 3.29Å; D13-R17 PolarHBondContact O-N 3.15Å |
| 14 | S | 87.4 | Confident | 77.8 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 49% | 0.49 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 174 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | S12 A16 R17 E18 | S12-S14 PolarHBondContact O-N 2.98Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 3.4Å; S14-R17 PolarHBondContact O-N 3.21Å; S14-E18 WeakPolarHBondContact O-CG 3.38Å; S14-E18 PolarHBondContact O-N 2.95Å |
| 15 | Q | 88.4 | Confident | 80.2 | Confident | 99 Ų | 99 | 86.5 Ų | 86.5 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 176.8 | -68 | 175.4 | 12.8 | 0 | 0 | 111.8 | P11 S12 E18 K19 | P11-Q15 HydrophobicContact CB-CB 4.35Å; S12-Q15 WeakPolarHBondContact O-CA 3.49Å; S12-Q15 WeakPolarHBondContact O-CB 3.43Å; S12-Q15 PolarHBondContact O-N 3.24Å; S12-Q15 WeakPolarHBondContact OG-CG 3.49Å; Q15-E18 PolarHBondContact O-N 3.15Å; Q15-K19 WeakPolarHBondContact O-CB 3.42Å; Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 3.13Å |
| 16 | A | 90.1 | Very high | 82.2 | Confident | 49 Ų | 49 | 84 Ų | 84 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | S12 D13 S14 K19 L20 | S12-A16 PolarHBondContact O-N 3.43Å; D13-A16 PolarHBondContact O-N 3.21Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 3.4Å; A16-K19 PolarHBondContact O-N 2.99Å; A16-L20 VanDerWaalsContact O-CB 3.31Å; A16-L20 WeakPolarHBondContact O-CB 3.47Å; A16-L20 PolarHBondContact O-N 3.25Å |
| 17 | R | 89.8 | Confident | 84.4 | Confident | 189 Ų | 189 | 78.1 Ų | 78.1 | 71% | 0.713 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 176 | -73.8 | 171.3 | -175.3 | -152.9 | 1.6 | 112.2 | D13 S14 L20 A21 | D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 WeakPolarHBondContact O-CG 3.29Å; D13-R17 PolarHBondContact O-N 3.15Å; S14-R17 PolarHBondContact O-N 3.21Å; R17-L20 PolarHBondContact O-N 3.04Å; R17-A21 WeakPolarHBondContact O-CB 3.33Å; R17-A21 PolarHBondContact O-N 3.42Å |
| 18 | E | 91.2 | Very high | 86.7 | Confident | 70 Ų | 70 | 76.7 Ų | 76.7 | 33% | 0.327 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.3 | -71.7 | -179 | 174.7 | 0 | 0 | 112 | S14 Q15 A21 L22 W46 K48 | S14-E18 WeakPolarHBondContact O-CG 3.38Å; S14-E18 PolarHBondContact O-N 2.95Å; Q15-E18 PolarHBondContact O-N 3.15Å; E18-A21 PolarHBondContact O-N 3.26Å; E18-L22 PolarHBondContact O-N 3.41Å; E18-L22 VanDerWaalsContact O-N 3.1Å; E18-W46 HydrophobicContact CB-CH2 4.23Å; E18-W46 HydrophobicContact CB-CZ3 4.42Å; E18-W46 WeakPolarHBondContact O-CH2 3.33Å; E18-K48 IonicContact OE1-NZ 2.67Å; E18-K48 PolarHBondContact OE1-NZ 3.01Å; E18-K48 IonicContact OE2-NZ 2.67Å; E18-K48 PolarHBondContact OE2-NZ 3.39Å |
| 19 | K | 91.4 | Very high | 88.4 | Confident | 119 Ų | 119 | 72.9 Ų | 72.9 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 176.4 | -75.2 | -70.1 | -175.3 | 178.6 | 0 | 111.8 | Q15 A16 L22 Y23 | Q15-K19 WeakPolarHBondContact O-CB 3.42Å; Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 3.13Å; A16-K19 PolarHBondContact O-N 2.99Å; K19-L22 PolarHBondContact O-N 3.17Å; K19-Y23 HydrophobicContact CB-CE2 4.12Å; K19-Y23 WeakPolarHBondContact O-CD2 3.2Å; K19-Y23 VanDerWaalsContact O-CG 3.3Å; K19-Y23 PolarHBondContact O-N 3.4Å |
| 20 | L | 93.4 | Very high | 89.7 | Confident | 92 Ų | 92 | 70 Ų | 70 | 48% | 0.482 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 176.2 | -179.8 | 62.1 | 0 | 0 | 0 | 111.3 | A16 R17 L22 Y23 V24 L59 | A16-L20 VanDerWaalsContact O-CB 3.31Å; A16-L20 WeakPolarHBondContact O-CB 3.47Å; A16-L20 PolarHBondContact O-N 3.25Å; R17-L20 PolarHBondContact O-N 3.04Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.08Å; L20-Y23 PolarHBondContact O-N 3.22Å; L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.36Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 2.92Å; L20-L59 HydrophobicContact CD1-CD1 4.41Å |
| 21 | A | 94.2 | Very high | 90.8 | Very high | 16 Ų | 16 | 67.8 Ų | 67.8 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R17 E18 Y23 V24 Y25 F40 I44 W46 | R17-A21 WeakPolarHBondContact O-CB 3.33Å; R17-A21 PolarHBondContact O-N 3.42Å; E18-A21 PolarHBondContact O-N 3.26Å; A21-Y23 PolarHBondContact O-N 3.04Å; A21-V24 PolarHBondContact O-N 3.48Å; A21-Y25 PolarHBondContact O-N 2.82Å; A21-F40 HydrophobicContact CB-CE1 4.3Å; A21-F40 HydrophobicContact CB-CZ 4.11Å; A21-F40 WeakPolarHBondContact O-CE1 3.3Å; A21-I44 HydrophobicContact CB-CD1 3.97Å; A21-W46 HydrophobicContact CB-CE3 4.37Å; A21-W46 HydrophobicContact CB-CZ3 3.88Å |
| 22 | L | 93.8 | Very high | 91.7 | Very high | 28 Ų | 28 | 66.5 Ų | 66.5 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.8 | -174.9 | 142.5 | 0 | 0 | 0 | 112.1 | E18 K19 L20 Y25 E26 W46 | E18-L22 PolarHBondContact O-N 3.41Å; E18-L22 VanDerWaalsContact O-N 3.1Å; K19-L22 PolarHBondContact O-N 3.17Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.08Å; L22-Y25 PolarHBondContact O-N 3.06Å; L22-E26 PolarHBondContact O-N 2.96Å; L22-W46 HydrophobicContact CB-CH2 4.42Å; L22-W46 HydrophobicContact CB-CZ2 4.41Å; L22-W46 HydrophobicContact CD1-CZ2 4.34Å |
| 23 | Y | 93.6 | Very high | 92.1 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.9 | -31.4 | 179.2 | -58.8 | -44.4 | 0 | 0 | 0 | 113.3 | K19 L20 A21 Y27 F58 | K19-Y23 HydrophobicContact CB-CE2 4.12Å; K19-Y23 WeakPolarHBondContact O-CD2 3.2Å; K19-Y23 VanDerWaalsContact O-CG 3.3Å; K19-Y23 PolarHBondContact O-N 3.4Å; L20-Y23 PolarHBondContact O-N 3.22Å; A21-Y23 PolarHBondContact O-N 3.04Å; Y23-Y27 WeakPolarHBondContact O-CB 3.45Å; Y23-Y27 PolarHBondContact O-N 2.94Å; Y23-F58 HydrophobicContact CD1-CB 3.76Å; Y23-F58 AromaticContact CD1-CD1 3.82Å; Y23-F58 HydrophobicContact CD1-CD1 3.82Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.51Å; Y23-F58 HydrophobicContact CD2-CD1 3.51Å; Y23-F58 AromaticContact CD2-CE1 3.84Å; Y23-F58 HydrophobicContact CD2-CE1 3.84Å; Y23-F58 HydrophobicContact CD2-CG 4.48Å; Y23-F58 HydrophobicContact CE1-CB 3.81Å; Y23-F58 AromaticContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CE1 4.5Å; Y23-F58 AromaticContact CE1-CG 3.8Å; Y23-F58 HydrophobicContact CE1-CG 3.8Å; Y23-F58 AromaticContact CE2-CD1 3.42Å; Y23-F58 HydrophobicContact CE2-CD1 3.42Å; Y23-F58 VanDerWaalsContact CE2-CD1 3.42Å; Y23-F58 AromaticContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CE1 3.47Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CG 4.24Å; Y23-F58 HydrophobicContact CE2-CZ 4.32Å; Y23-F58 HydrophobicContact CG-CB 4.37Å; Y23-F58 AromaticContact CG-CD1 3.72Å; Y23-F58 HydrophobicContact CG-CD1 3.72Å; Y23-F58 HydrophobicContact CG-CE1 4.5Å; Y23-F58 HydrophobicContact CG-CG 4.4Å; Y23-F58 AromaticContact CZ-CD1 3.55Å; Y23-F58 AromaticContact CZ-CE1 3.84Å; Y23-F58 AromaticContact CZ-CG 3.9Å |
| 24 | V | 94.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 63.7 Ų | 63.7 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 172 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | L20 A21 Y27 L28 F40 L59 | L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.36Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 2.92Å; A21-V24 PolarHBondContact O-N 3.48Å; V24-Y27 PolarHBondContact O-N 3.44Å; V24-L28 HydrophobicContact CG1-CD1 4.16Å; V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.32Å; V24-L28 PolarHBondContact O-N 3.02Å; V24-F40 HydrophobicContact CB-CE1 4.29Å; V24-F40 HydrophobicContact CB-CZ 4.28Å; V24-F40 HydrophobicContact CG1-CE1 4.09Å; V24-F40 HydrophobicContact CG1-CE2 4.4Å; V24-F40 HydrophobicContact CG1-CZ 4Å; V24-L59 HydrophobicContact CG2-CD2 3.94Å |
| 25 | Y | 94.1 | Very high | 92.8 | Very high | 32 Ų | 32 | 68.9 Ų | 68.9 | 13% | 0.125 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | 174.6 | 173.5 | -101.2 | 0 | 0 | 0 | 112 | A21 L22 Y27 L28 L29 A37 L41 I50 L52 | A21-Y25 PolarHBondContact O-N 2.82Å; L22-Y25 PolarHBondContact O-N 3.06Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 3.17Å; Y25-L28 PolarHBondContact O-N 3.28Å; Y25-L29 HydrophobicContact CD1-CD1 4.06Å; Y25-L29 HydrophobicContact CE1-CD1 3.37Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.29Å; Y25-L29 HydrophobicContact CE2-CD2 4.41Å; Y25-L29 HydrophobicContact CE2-CG 4.29Å; Y25-L29 PolarHBondContact O-N 2.87Å; Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.39Å; Y25-A37 HydrophobicContact CE2-CB 3.64Å; Y25-A37 WeakPolarHBondContact CE2-O 3.33Å; Y25-L41 HydrophobicContact CD2-CD1 3.67Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.51Å; Y25-L41 HydrophobicContact CE1-CD1 4.35Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.26Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.35Å; Y25-L41 HydrophobicContact CG-CD2 3.95Å; Y25-L41 HydrophobicContact CG-CG 4.21Å; Y25-I50 HydrophobicContact CD1-CD1 3.86Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CB 4.47Å; Y25-I50 HydrophobicContact CE1-CD1 3.6Å; Y25-I50 HydrophobicContact CE1-CG2 3.7Å; Y25-I50 HydrophobicContact CG-CD1 4.43Å; Y25-L52 HydrophobicContact CD1-CD2 4.22Å; Y25-L52 HydrophobicContact CE1-CD2 3.97Å |
| 26 | E | 93.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.1 | -46.4 | 174.9 | 178.8 | -176.7 | -128 | 0 | 0 | 111.3 | L22 L28 L29 H30 L52 G53 F58 | L22-E26 PolarHBondContact O-N 2.96Å; E26-L28 PolarHBondContact O-N 3.28Å; E26-L29 PolarHBondContact O-N 2.85Å; E26-H30 VanDerWaalsContact CG-CE1 3.43Å; E26-H30 WeakPolarHBondContact CG-CE1 3.31Å; E26-H30 PolarHBondContact O-N 2.94Å; E26-H30 IonicContact OE1-CE1 3.85Å; E26-L52 HydrophobicContact CB-CD2 4.34Å; E26-L52 HydrophobicContact CG-CD2 4.44Å; E26-G53 VanDerWaalsContact OE1-CA 3.29Å; E26-G53 WeakPolarHBondContact OE1-CA 3.26Å; E26-G53 PolarHBondContact OE1-N 3.48Å; E26-F58 PolarHBondContact OE2-N 2.86Å |
| 27 | Y | 93.6 | Very high | 93.3 | Very high | 88 Ų | 88 | 65 Ų | 65 | 35% | 0.345 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 176.7 | 171.1 | -103.6 | 0 | 0 | 0 | 112.1 | Y23 V24 Y25 L29 H30 V31 L59 H60 | Y23-Y27 WeakPolarHBondContact O-CB 3.45Å; Y23-Y27 PolarHBondContact O-N 2.94Å; V24-Y27 PolarHBondContact O-N 3.44Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 3.17Å; Y27-L29 PolarHBondContact O-N 3.16Å; Y27-H30 PolarHBondContact O-N 3.41Å; Y27-H30 VanDerWaalsContact O-N 3.13Å; Y27-V31 HydrophobicContact CD2-CG1 3.89Å; Y27-V31 HydrophobicContact CE1-CG1 4.16Å; Y27-V31 HydrophobicContact CE1-CG2 4.38Å; Y27-V31 HydrophobicContact CE2-CG1 3.38Å; Y27-V31 HydrophobicContact CG-CG1 4.48Å; Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 3.06Å; Y27-L59 HydrophobicContact CG-CD2 4.31Å; Y27-H60 HydrophobicContact CD2-CB 4.28Å; Y27-H60 AromaticContact CE2-ND1 3.99Å |
| 28 | L | 94.4 | Very high | 93.4 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.7 | -36.6 | 178.7 | -71.9 | 170.9 | 0 | 0 | 0 | 111.8 | V24 Y25 E26 V31 A33 A37 F40 | V24-L28 HydrophobicContact CG1-CD1 4.16Å; V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.32Å; V24-L28 PolarHBondContact O-N 3.02Å; Y25-L28 PolarHBondContact O-N 3.28Å; E26-L28 PolarHBondContact O-N 3.28Å; L28-V31 WeakPolarHBondContact O-CG2 3.1Å; L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.09Å; L28-A33 CarbonylContact O-C 3.52Å; L28-A33 WeakPolarHBondContact O-CA 3.4Å; L28-A33 WeakPolarHBondContact O-CB 3.45Å; L28-A33 PolarHBondContact O-N 2.98Å; L28-A37 HydrophobicContact CB-CB 3.75Å; L28-A37 HydrophobicContact CD1-CB 4.48Å; L28-F40 HydrophobicContact CD1-CB 4.19Å; L28-F40 HydrophobicContact CD1-CD1 4.48Å; L28-F40 HydrophobicContact CD1-CG 4.35Å |
| 29 | L | 92.2 | Very high | 93.7 | Very high | 21 Ų | 21 | 62.4 Ų | 62.4 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68 | -47 | 174.5 | -69.1 | 178.6 | 0 | 0 | 0 | 112.1 | Y25 E26 Y27 V31 G32 Q34 A37 L52 | Y25-L29 HydrophobicContact CD1-CD1 4.06Å; Y25-L29 HydrophobicContact CE1-CD1 3.37Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.29Å; Y25-L29 HydrophobicContact CE2-CD2 4.41Å; Y25-L29 HydrophobicContact CE2-CG 4.29Å; Y25-L29 PolarHBondContact O-N 2.87Å; E26-L29 PolarHBondContact O-N 2.85Å; Y27-L29 PolarHBondContact O-N 3.16Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 3.35Å; L29-G32 PolarHBondContact O-N 3.23Å; L29-Q34 VanDerWaalsContact CD2-NE2 3.27Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.27Å; L29-Q34 PolarHBondContact O-NE2 3.47Å; L29-A37 HydrophobicContact CD2-CB 3.76Å; L29-A37 HydrophobicContact CG-CB 4.11Å; L29-L52 HydrophobicContact CD1-CD1 3.64Å; L29-L52 HydrophobicContact CD1-CD2 3.52Å; L29-L52 HydrophobicContact CD1-CG 4.23Å |
| 30 | H | 90.7 | Very high | 93.9 | Very high | 62 Ų | 62 | 59 Ų | 59 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -32.2 | -178.2 | -70.3 | 156.7 | 0 | 0 | 0 | 113.4 | E26 Y27 G32 P56 G57 | E26-H30 VanDerWaalsContact CG-CE1 3.43Å; E26-H30 WeakPolarHBondContact CG-CE1 3.31Å; E26-H30 PolarHBondContact O-N 2.94Å; E26-H30 IonicContact OE1-CE1 3.85Å; Y27-H30 PolarHBondContact O-N 3.41Å; Y27-H30 VanDerWaalsContact O-N 3.13Å; H30-G32 PolarHBondContact O-N 3.34Å; H30-P56 VanDerWaalsContact ND1-C 3.33Å; H30-P56 PolarHBondContact ND1-O 3.22Å; H30-G57 WeakPolarHBondContact ND1-CA 3.12Å; H30-G57 PolarHBondContact ND1-N 3.48Å |
| 31 | V | 93.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 56 Ų | 56 | 47% | 0.473 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 2.1 | 173.6 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | Y27 L28 L29 A33 | Y27-V31 HydrophobicContact CD2-CG1 3.89Å; Y27-V31 HydrophobicContact CE1-CG1 4.16Å; Y27-V31 HydrophobicContact CE1-CG2 4.38Å; Y27-V31 HydrophobicContact CE2-CG1 3.38Å; Y27-V31 HydrophobicContact CG-CG1 4.48Å; Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 3.06Å; L28-V31 WeakPolarHBondContact O-CG2 3.1Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 3.35Å; V31-A33 HydrophobicContact CG2-CB 3.97Å |
| 32 | G | 92.2 | Very high | 93.8 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 7.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | L29 H30 Q34 | L29-G32 PolarHBondContact O-N 3.23Å; H30-G32 PolarHBondContact O-N 3.34Å; G32-Q34 PolarHBondContact O-N 2.92Å |
| 33 | A | 94.6 | Very high | 93.9 | Very high | 29 Ų | 29 | 65.1 Ų | 65.1 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | trans | -81.7 | 53.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L28 V31 K35 S36 A37 | L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.09Å; L28-A33 CarbonylContact O-C 3.52Å; L28-A33 WeakPolarHBondContact O-CA 3.4Å; L28-A33 WeakPolarHBondContact O-CB 3.45Å; L28-A33 PolarHBondContact O-N 2.98Å; V31-A33 HydrophobicContact CG2-CB 3.97Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.25Å; A33-S36 PolarHBondContact O-N 2.9Å; A33-S36 VanDerWaalsContact O-N 3.17Å; A33-A37 PolarHBondContact O-N 3.09Å | ||
| 34 | Q | 93.1 | Very high | 93.9 | Very high | 100 Ų | 100 | 65.8 Ų | 65.8 | 47% | 0.467 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.7 | -42.5 | -173.3 | -63.9 | -67.6 | -51.6 | 0 | 0 | 113.4 | L29 G32 A37 Q38 | L29-Q34 VanDerWaalsContact CD2-NE2 3.27Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.27Å; L29-Q34 PolarHBondContact O-NE2 3.47Å; G32-Q34 PolarHBondContact O-N 2.92Å; Q34-A37 PolarHBondContact O-N 2.96Å; Q34-Q38 PolarHBondContact O-N 3.34Å |
| 35 | K | 95.8 | Very high | 93.8 | Very high | 179 Ų | 179 | 73.7 Ų | 73.7 | 78% | 0.778 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.2 | -46.2 | 179.1 | -67.2 | -177 | -179.7 | 179.1 | 0 | 111.5 | A33 A37 Q38 T39 | A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.25Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.42Å; K35-Q38 PolarHBondContact O-N 2.87Å; K35-T39 PolarHBondContact O-N 3.43Å; K35-T39 PolarHBondContact O-OG1 3.25Å |
| 36 | S | 96.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 74.6 Ų | 74.6 | 47% | 0.469 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | A33 Q38 T39 F40 | A33-S36 PolarHBondContact O-N 2.9Å; A33-S36 VanDerWaalsContact O-N 3.17Å; S36-Q38 PolarHBondContact O-N 3.44Å; S36-T39 PolarHBondContact O-N 3.48Å; S36-F40 WeakPolarHBondContact O-CB 3.07Å; S36-F40 PolarHBondContact O-N 2.91Å |
| 37 | A | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y25 L28 L29 A33 Q34 K35 L41 | Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.39Å; Y25-A37 HydrophobicContact CE2-CB 3.64Å; Y25-A37 WeakPolarHBondContact CE2-O 3.33Å; L28-A37 HydrophobicContact CB-CB 3.75Å; L28-A37 HydrophobicContact CD1-CB 4.48Å; L29-A37 HydrophobicContact CD2-CB 3.76Å; L29-A37 HydrophobicContact CG-CB 4.11Å; A33-A37 PolarHBondContact O-N 3.09Å; Q34-A37 PolarHBondContact O-N 2.96Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.42Å; A37-L41 PolarHBondContact O-N 3.18Å |
| 38 | Q | 91.9 | Very high | 93.2 | Very high | 132 Ų | 132 | 83.4 Ų | 83.4 | 62% | 0.617 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.8 | -42.1 | 177.9 | -71 | -166.8 | 2.4 | 0 | 0 | 113.2 | Q34 K35 S36 F40 L41 S42 | Q34-Q38 PolarHBondContact O-N 3.34Å; K35-Q38 PolarHBondContact O-N 2.87Å; S36-Q38 PolarHBondContact O-N 3.44Å; Q38-F40 VanDerWaalsContact C-N 3.3Å; Q38-F40 PolarHBondContact O-N 3.27Å; Q38-L41 PolarHBondContact O-N 2.99Å; Q38-S42 PolarHBondContact O-N 3.37Å; Q38-S42 PolarHBondContact O-OG 3.28Å |
| 39 | T | 96.2 | Very high | 92.7 | Very high | 73 Ų | 73 | 89.6 Ų | 89.6 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 175.1 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | K35 S36 L41 S42 E43 | K35-T39 PolarHBondContact O-N 3.43Å; K35-T39 PolarHBondContact O-OG1 3.25Å; S36-T39 PolarHBondContact O-N 3.48Å; T39-L41 PolarHBondContact O-N 3.37Å; T39-S42 WeakPolarHBondContact O-CB 3.37Å; T39-S42 PolarHBondContact O-N 3.26Å; T39-S42 VanDerWaalsContact O-N 3.09Å; T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.36Å; T39-E43 WeakPolarHBondContact O-CG 3.46Å; T39-E43 PolarHBondContact O-N 2.9Å |
| 40 | F | 95.8 | Very high | 92.2 | Very high | 48 Ų | 48 | 91.2 Ų | 91.2 | 21% | 0.211 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 178.8 | 175.7 | -109.3 | 0 | 0 | 0 | 112.7 | A21 V24 L28 S36 Q38 S42 E43 I44 | A21-F40 HydrophobicContact CB-CE1 4.3Å; A21-F40 HydrophobicContact CB-CZ 4.11Å; A21-F40 WeakPolarHBondContact O-CE1 3.3Å; V24-F40 HydrophobicContact CB-CE1 4.29Å; V24-F40 HydrophobicContact CB-CZ 4.28Å; V24-F40 HydrophobicContact CG1-CE1 4.09Å; V24-F40 HydrophobicContact CG1-CE2 4.4Å; V24-F40 HydrophobicContact CG1-CZ 4Å; L28-F40 HydrophobicContact CD1-CB 4.19Å; L28-F40 HydrophobicContact CD1-CD1 4.48Å; L28-F40 HydrophobicContact CD1-CG 4.35Å; S36-F40 WeakPolarHBondContact O-CB 3.07Å; S36-F40 PolarHBondContact O-N 2.91Å; Q38-F40 VanDerWaalsContact C-N 3.3Å; Q38-F40 PolarHBondContact O-N 3.27Å; F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.05Å; F40-E43 PolarHBondContact O-N 3.45Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.34Å; F40-I44 HydrophobicContact CE1-CD1 3.78Å; F40-I44 HydrophobicContact CE2-CD1 4.47Å; F40-I44 HydrophobicContact CE2-CG2 3.99Å; F40-I44 HydrophobicContact CZ-CD1 3.89Å; F40-I44 HydrophobicContact CZ-CG2 4.36Å; F40-I44 WeakPolarHBondContact O-CG1 3.27Å; F40-I44 PolarHBondContact O-N 3.39Å; F40-I44 VanDerWaalsContact O-N 3.17Å |
| 41 | L | 93.3 | Very high | 91.7 | Very high | 28 Ų | 28 | 93.8 Ų | 93.8 | 15% | 0.147 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -62 | -36.9 | 176.3 | -67.9 | -178.1 | 0 | 0 | 0 | 112.7 | Y25 A37 Q38 T39 R45 W46 I50 | Y25-L41 HydrophobicContact CD2-CD1 3.67Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.51Å; Y25-L41 HydrophobicContact CE1-CD1 4.35Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.26Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.35Å; Y25-L41 HydrophobicContact CG-CD2 3.95Å; Y25-L41 HydrophobicContact CG-CG 4.21Å; A37-L41 PolarHBondContact O-N 3.18Å; Q38-L41 PolarHBondContact O-N 2.99Å; T39-L41 PolarHBondContact O-N 3.37Å; L41-R45 PolarHBondContact O-N 3.46Å; L41-W46 HydrophobicContact CB-CB 4.14Å; L41-W46 HydrophobicContact CD2-CB 3.72Å; L41-W46 HydrophobicContact CD2-CD2 4.37Å; L41-W46 HydrophobicContact CD2-CG 3.7Å; L41-W46 HydrophobicContact CG-CB 4.49Å; L41-W46 PolarHBondContact O-N 3.29Å; L41-I50 HydrophobicContact CD1-CD1 3.38Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å |
| 42 | S | 92.8 | Very high | 91.1 | Very high | 90 Ų | 90 | 94.7 Ų | 94.7 | 63% | 0.629 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.9 | -42.5 | -179.8 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | Q38 T39 F40 R45 | Q38-S42 PolarHBondContact O-N 3.37Å; Q38-S42 PolarHBondContact O-OG 3.28Å; T39-S42 WeakPolarHBondContact O-CB 3.37Å; T39-S42 PolarHBondContact O-N 3.26Å; T39-S42 VanDerWaalsContact O-N 3.09Å; F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.05Å; S42-R45 PolarHBondContact O-N 3.43Å |
| 43 | E | 95.6 | Very high | 90.5 | Very high | 146 Ų | 146 | 94 Ų | 94 | 68% | 0.682 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.2 | -41.5 | -179.5 | -75.3 | -178.8 | -173.4 | 0 | 0 | 112.6 | T39 F40 R45 | T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.36Å; T39-E43 WeakPolarHBondContact O-CG 3.46Å; T39-E43 PolarHBondContact O-N 2.9Å; F40-E43 PolarHBondContact O-N 3.45Å; E43-R45 PolarHBondContact O-N 3.27Å |
| 44 | I | 93.6 | Very high | 89.9 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 36% | 0.359 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.1 | 178.8 | 73.1 | -177 | 0 | 0 | 0 | 112.8 | A21 F40 W46 | A21-I44 HydrophobicContact CB-CD1 3.97Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.34Å; F40-I44 HydrophobicContact CE1-CD1 3.78Å; F40-I44 HydrophobicContact CE2-CD1 4.47Å; F40-I44 HydrophobicContact CE2-CG2 3.99Å; F40-I44 HydrophobicContact CZ-CD1 3.89Å; F40-I44 HydrophobicContact CZ-CG2 4.36Å; F40-I44 WeakPolarHBondContact O-CG1 3.27Å; F40-I44 PolarHBondContact O-N 3.39Å; F40-I44 VanDerWaalsContact O-N 3.17Å; I44-W46 VanDerWaalsContact C-N 3.34Å; I44-W46 HydrophobicContact CD1-CB 4.1Å; I44-W46 HydrophobicContact CD1-CD2 4.34Å; I44-W46 HydrophobicContact CD1-CE3 3.71Å; I44-W46 HydrophobicContact CG1-CB 3.86Å; I44-W46 HydrophobicContact CG1-CE3 4.37Å; I44-W46 PolarHBondContact O-N 2.92Å |
| 45 | R | 92.7 | Very high | 89.4 | Confident | 207 Ų | 207 | 99.9 Ų | 99.9 | 78% | 0.781 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 53.3 | -175 | -56.9 | -178.5 | 179.5 | -170.8 | -1.2 | 111.4 | L41 S42 E43 E47 | L41-R45 PolarHBondContact O-N 3.46Å; S42-R45 PolarHBondContact O-N 3.43Å; E43-R45 PolarHBondContact O-N 3.27Å; R45-E47 PolarHBondContact O-N 3.4Å |
| 46 | W | 93.3 | Very high | 88.5 | Confident | 51 Ų | 51 | 94.7 Ų | 94.7 | 19% | 0.193 | 50% | 0.495 | C | S | . | . | trans | -73.5 | 114.6 | -178 | -169 | -93.1 | 0 | 0 | 0 | 111.1 | E18 A21 L22 L41 I44 K48 | E18-W46 HydrophobicContact CB-CH2 4.23Å; E18-W46 HydrophobicContact CB-CZ3 4.42Å; E18-W46 WeakPolarHBondContact O-CH2 3.33Å; A21-W46 HydrophobicContact CB-CE3 4.37Å; A21-W46 HydrophobicContact CB-CZ3 3.88Å; L22-W46 HydrophobicContact CB-CH2 4.42Å; L22-W46 HydrophobicContact CB-CZ2 4.41Å; L22-W46 HydrophobicContact CD1-CZ2 4.34Å; L41-W46 HydrophobicContact CB-CB 4.14Å; L41-W46 HydrophobicContact CD2-CB 3.72Å; L41-W46 HydrophobicContact CD2-CD2 4.37Å; L41-W46 HydrophobicContact CD2-CG 3.7Å; L41-W46 HydrophobicContact CG-CB 4.49Å; L41-W46 PolarHBondContact O-N 3.29Å; I44-W46 VanDerWaalsContact C-N 3.34Å; I44-W46 HydrophobicContact CD1-CB 4.1Å; I44-W46 HydrophobicContact CD1-CD2 4.34Å; I44-W46 HydrophobicContact CD1-CE3 3.71Å; I44-W46 HydrophobicContact CG1-CB 3.86Å; I44-W46 HydrophobicContact CG1-CE3 4.37Å; I44-W46 PolarHBondContact O-N 2.92Å; W46-K48 HydrophobicContact CH2-CD 4.48Å; W46-K48 HydrophobicContact CZ2-CB 3.9Å; W46-K48 HydrophobicContact CZ2-CD 4.35Å; W46-K48 PolarHBondContact NE1-O 2.87Å | ||
| 47 | E | 87.9 | Confident | 88.2 | Confident | 180 Ų | 180 | 91.8 Ų | 91.8 | 84% | 0.841 | 48% | 0.475 | S | S | * | . | trans | -110 | 1 | -177.5 | -66.3 | 178.8 | -176.7 | 0 | 0 | 113.3 | R45 | R45-E47 PolarHBondContact O-N 3.4Š| ||
| 48 | K | 87.2 | Confident | 88 | Confident | 105 Ų | 105 | 96 Ų | 96 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -92.6 | 146.8 | -175 | -62.8 | 177.8 | 177.3 | -178.4 | 0 | 111.3 | E18 W46 | E18-K48 IonicContact OE1-NZ 2.67Å; E18-K48 PolarHBondContact OE1-NZ 3.01Å; E18-K48 IonicContact OE2-NZ 2.67Å; E18-K48 PolarHBondContact OE2-NZ 3.39Å; W46-K48 HydrophobicContact CH2-CD 4.48Å; W46-K48 HydrophobicContact CZ2-CB 3.9Å; W46-K48 HydrophobicContact CZ2-CD 4.35Å; W46-K48 PolarHBondContact NE1-O 2.87Å |
| 49 | N | 83.3 | Confident | 88.1 | Confident | 161 Ų | 161 | 92 Ų | 92 | 86% | 0.861 | 48% | 0.476 | S | S | * | . | trans | -59.3 | 141 | 174.1 | -72 | -62 | 0 | 0 | 0 | 111.4 | ||||
| 50 | I | 81.1 | Confident | 87.9 | Confident | 56 Ų | 56 | 92 Ų | 92 | 29% | 0.287 | 47% | 0.471 | S | S | . | . | trans | -109.9 | 122.1 | -178.6 | -54.5 | 175.6 | 0 | 0 | 0 | 109.3 | Y25 L41 L52 | Y25-I50 HydrophobicContact CD1-CD1 3.86Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CB 4.47Å; Y25-I50 HydrophobicContact CE1-CD1 3.6Å; Y25-I50 HydrophobicContact CE1-CG2 3.7Å; Y25-I50 HydrophobicContact CG-CD1 4.43Å; L41-I50 HydrophobicContact CD1-CD1 3.38Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å; I50-L52 HydrophobicContact CG2-CD2 4.09Å; I50-L52 HydrophobicContact CG2-CG 4.37Å | ||
| 51 | T | 80.4 | Confident | 87.7 | Confident | 115 Ų | 115 | 92.4 Ų | 92.4 | 71% | 0.706 | 48% | 0.48 | S | S | * | . | trans | -104.3 | 120.1 | 168.1 | 52.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 52 | L | 81.6 | Confident | 87.8 | Confident | 97 Ų | 97 | 98.6 Ų | 98.6 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | trans | -90 | 136.3 | 178 | -63.9 | 169.1 | 0 | 0 | 0 | 110.1 | Y25 E26 L29 I50 | Y25-L52 HydrophobicContact CD1-CD2 4.22Å; Y25-L52 HydrophobicContact CE1-CD2 3.97Å; E26-L52 HydrophobicContact CB-CD2 4.34Å; E26-L52 HydrophobicContact CG-CD2 4.44Å; L29-L52 HydrophobicContact CD1-CD1 3.64Å; L29-L52 HydrophobicContact CD1-CD2 3.52Å; L29-L52 HydrophobicContact CD1-CG 4.23Å; I50-L52 HydrophobicContact CG2-CD2 4.09Å; I50-L52 HydrophobicContact CG2-CG 4.37Å | ||
| 53 | G | 79.6 | Confident | 87.9 | Confident | 39 Ų | 39 | 101 Ų | 101 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | trans | -86.7 | 179.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E26 | E26-G53 VanDerWaalsContact OE1-CA 3.29Å; E26-G53 WeakPolarHBondContact OE1-CA 3.26Å; E26-G53 PolarHBondContact OE1-N 3.48Å | ||
| 54 | E | 82.4 | Confident | 87.8 | Confident | 168 Ų | 168 | 96.9 Ų | 96.9 | 79% | 0.785 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -70.7 | 142.6 | 174.3 | -69.9 | -70.3 | 154.8 | 0 | 0 | 111.1 | G57 | E54-G57 PolarHBondContact O-N 3.17Å; E54-G57 VanDerWaalsContact O-N 3.08Å |
| 55 | P | 81.3 | Confident | 87.8 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 144.8 | 173.2 | 26.3 | -33.3 | 0 | 0 | 0 | 110.7 | ||
| 56 | P | 78 | Confident | 88 | Confident | 69 Ų | 69 | 92.4 Ų | 92.4 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -84.8 | 4.3 | 13.3 | 33.7 | -36.4 | 0 | 0 | 0 | 115.6 | H30 H60 | H30-P56 VanDerWaalsContact ND1-C 3.33Å; H30-P56 PolarHBondContact ND1-O 3.22Å; P56-H60 HydrophobicContact CB-CB 4.34Å |
| 57 | G | 89.1 | Confident | 87.9 | Confident | 6 Ų | 6 | 96.1 Ų | 96.1 | 6% | 0.062 | 49% | 0.487 | C | S | . | . | trans | 87.5 | 165.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H30 E54 S61 | H30-G57 WeakPolarHBondContact ND1-CA 3.12Å; H30-G57 PolarHBondContact ND1-N 3.48Å; E54-G57 PolarHBondContact O-N 3.17Å; E54-G57 VanDerWaalsContact O-N 3.08Å; G57-S61 PolarHBondContact O-N 3.36Å; G57-S61 PolarHBondContact O-OG 3.4Å | ||
| 58 | F | 91.8 | Very high | 88.2 | Confident | 90 Ų | 90 | 89.3 Ų | 89.3 | 40% | 0.395 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.5 | -47.8 | -172.6 | 177.7 | -92.4 | 0 | 0 | 0 | 112.3 | Y23 E26 H60 S61 W62 | Y23-F58 HydrophobicContact CD1-CB 3.76Å; Y23-F58 AromaticContact CD1-CD1 3.82Å; Y23-F58 HydrophobicContact CD1-CD1 3.82Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.51Å; Y23-F58 HydrophobicContact CD2-CD1 3.51Å; Y23-F58 AromaticContact CD2-CE1 3.84Å; Y23-F58 HydrophobicContact CD2-CE1 3.84Å; Y23-F58 HydrophobicContact CD2-CG 4.48Å; Y23-F58 HydrophobicContact CE1-CB 3.81Å; Y23-F58 AromaticContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CE1 4.5Å; Y23-F58 AromaticContact CE1-CG 3.8Å; Y23-F58 HydrophobicContact CE1-CG 3.8Å; Y23-F58 AromaticContact CE2-CD1 3.42Å; Y23-F58 HydrophobicContact CE2-CD1 3.42Å; Y23-F58 VanDerWaalsContact CE2-CD1 3.42Å; Y23-F58 AromaticContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CE1 3.47Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CG 4.24Å; Y23-F58 HydrophobicContact CE2-CZ 4.32Å; Y23-F58 HydrophobicContact CG-CB 4.37Å; Y23-F58 AromaticContact CG-CD1 3.72Å; Y23-F58 HydrophobicContact CG-CD1 3.72Å; Y23-F58 HydrophobicContact CG-CE1 4.5Å; Y23-F58 HydrophobicContact CG-CG 4.4Å; Y23-F58 AromaticContact CZ-CD1 3.55Å; Y23-F58 AromaticContact CZ-CE1 3.84Å; Y23-F58 AromaticContact CZ-CG 3.9Å; E26-F58 PolarHBondContact OE2-N 2.86Å; F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 3.1Å; F58-S61 PolarHBondContact O-N 3.39Å; F58-W62 AromaticContact CD2-CD1 3.97Å; F58-W62 AromaticContact CE1-CD1 3.85Å; F58-W62 HydrophobicContact CE1-CG 4.36Å; F58-W62 AromaticContact CE2-CD1 3.34Å; F58-W62 HydrophobicContact CE2-CG 4.48Å; F58-W62 AromaticContact CE2-NE1 3.59Å; F58-W62 AromaticContact CZ-CD1 3.27Å; F58-W62 HydrophobicContact CZ-CG 4.1Å; F58-W62 AromaticContact CZ-NE1 3.56Å; F58-W62 PolarHBondContact O-N 2.85Å |
| 59 | L | 93.4 | Very high | 88.5 | Confident | 46 Ų | 46 | 86.8 Ų | 86.8 | 24% | 0.241 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | -175.5 | -173.7 | 61.7 | 0 | 0 | 0 | 111.8 | L20 V24 Y27 W63 | L20-L59 HydrophobicContact CD1-CD1 4.41Å; V24-L59 HydrophobicContact CG2-CD2 3.94Å; Y27-L59 HydrophobicContact CG-CD2 4.31Å; L59-W63 WeakPolarHBondContact O-CB 3.29Å; L59-W63 PolarHBondContact O-N 3.37Å |
| 60 | H | 91.7 | Very high | 88.8 | Confident | 75 Ų | 75 | 83.2 Ų | 83.2 | 35% | 0.347 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | -178.1 | -171.4 | 75.2 | 0 | 0 | 0 | 111.2 | Y27 P56 F58 W62 W63 C64 | Y27-H60 HydrophobicContact CD2-CB 4.28Å; Y27-H60 AromaticContact CE2-ND1 3.99Å; P56-H60 HydrophobicContact CB-CB 4.34Å; F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 3.1Å; H60-W62 PolarHBondContact O-N 3.36Å; H60-W63 PolarHBondContact O-N 3.27Å; H60-C64 PolarHBondContact O-N 2.92Å; H60-C64 PolarHBondContact O-SG 3.44Å |
| 61 | S | 92.2 | Very high | 89.3 | Confident | 55 Ų | 55 | 80.7 Ų | 80.7 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 179.8 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | G57 F58 C64 V65 | G57-S61 PolarHBondContact O-N 3.36Å; G57-S61 PolarHBondContact O-OG 3.4Å; F58-S61 PolarHBondContact O-N 3.39Å; S61-C64 PolarHBondContact O-N 3.36Å; S61-V65 PolarHBondContact O-N 3.17Å |
| 62 | W | 95.1 | Very high | 89.6 | Confident | 159 Ų | 159 | 75.2 Ų | 75.2 | 60% | 0.602 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.2 | -37.7 | 178.3 | -106.5 | 99.4 | 0 | 0 | 0 | 113 | F58 H60 V65 F66 | F58-W62 AromaticContact CD2-CD1 3.97Å; F58-W62 AromaticContact CE1-CD1 3.85Å; F58-W62 HydrophobicContact CE1-CG 4.36Å; F58-W62 AromaticContact CE2-CD1 3.34Å; F58-W62 HydrophobicContact CE2-CG 4.48Å; F58-W62 AromaticContact CE2-NE1 3.59Å; F58-W62 AromaticContact CZ-CD1 3.27Å; F58-W62 HydrophobicContact CZ-CG 4.1Å; F58-W62 AromaticContact CZ-NE1 3.56Å; F58-W62 PolarHBondContact O-N 2.85Å; H60-W62 PolarHBondContact O-N 3.36Å; W62-V65 PolarHBondContact O-N 2.67Å; W62-F66 WeakPolarHBondContact O-CB 3.42Å; W62-F66 PolarHBondContact O-N 3.03Å |
| 63 | W | 95.4 | Very high | 89.9 | Confident | 141 Ų | 141 | 71.3 Ų | 71.3 | 53% | 0.534 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 176.9 | -177.7 | -103.5 | 0 | 0 | 0 | 111.9 | L59 H60 V65 F66 W67 | L59-W63 WeakPolarHBondContact O-CB 3.29Å; L59-W63 PolarHBondContact O-N 3.37Å; H60-W63 PolarHBondContact O-N 3.27Å; W63-V65 PolarHBondContact O-N 2.67Å; W63-F66 AromaticContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 HydrophobicContact CH2-CD1 4.09Å; W63-F66 AromaticContact CH2-CE1 4Å; W63-F66 HydrophobicContact CH2-CE1 4Å; W63-F66 AromaticContact CZ3-CD1 3.63Å; W63-F66 HydrophobicContact CZ3-CD1 3.63Å; W63-F66 AromaticContact CZ3-CE1 3.78Å; W63-F66 HydrophobicContact CZ3-CE1 3.78Å; W63-F66 PolarHBondContact O-N 3.35Å; W63-W67 HydrophobicContact CZ2-CE3 4.31Å; W63-W67 VanDerWaalsContact O-CB 3.26Å; W63-W67 WeakPolarHBondContact O-CB 3.21Å; W63-W67 PolarHBondContact O-N 2.99Å |
| 64 | C | 93.5 | Very high | 89.9 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 174.6 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | H60 S61 W67 D68 | H60-C64 PolarHBondContact O-N 2.92Å; H60-C64 PolarHBondContact O-SG 3.44Å; S61-C64 PolarHBondContact O-N 3.36Å; C64-W67 PolarHBondContact O-N 2.98Å; C64-D68 WeakPolarHBondContact O-CB 3.45Å; C64-D68 PolarHBondContact O-N 2.98Å |
| 65 | V | 93.6 | Very high | 89.9 | Confident | 77 Ų | 77 | 71.8 Ų | 71.8 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 176.8 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | S61 W62 W63 W67 D68 L69 | S61-V65 PolarHBondContact O-N 3.17Å; W62-V65 PolarHBondContact O-N 2.67Å; W63-V65 PolarHBondContact O-N 2.67Å; V65-W67 VanDerWaalsContact C-N 3.34Å; V65-W67 PolarHBondContact O-N 3.22Å; V65-D68 PolarHBondContact O-N 3.38Å; V65-L69 HydrophobicContact CG1-CD1 3.95Å; V65-L69 VanDerWaalsContact O-CD1 3.29Å; V65-L69 WeakPolarHBondContact O-CD1 3.31Å; V65-L69 PolarHBondContact O-N 3.22Å |
| 66 | F | 95.1 | Very high | 89.7 | Confident | 105 Ų | 105 | 72.7 Ų | 72.7 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | 177.7 | 170.7 | -96.9 | 0 | 0 | 0 | 111.8 | W62 W63 D68 L69 Y70 | W62-F66 WeakPolarHBondContact O-CB 3.42Å; W62-F66 PolarHBondContact O-N 3.03Å; W63-F66 AromaticContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 HydrophobicContact CH2-CD1 4.09Å; W63-F66 AromaticContact CH2-CE1 4Å; W63-F66 HydrophobicContact CH2-CE1 4Å; W63-F66 AromaticContact CZ3-CD1 3.63Å; W63-F66 HydrophobicContact CZ3-CD1 3.63Å; W63-F66 AromaticContact CZ3-CE1 3.78Å; W63-F66 HydrophobicContact CZ3-CE1 3.78Å; W63-F66 PolarHBondContact O-N 3.35Å; F66-D68 VanDerWaalsContact C-N 3.34Å; F66-L69 PolarHBondContact O-N 3.33Å; F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.48Å; F66-Y70 PolarHBondContact O-N 3.18Å |
| 67 | W | 93.2 | Very high | 89.5 | Confident | 129 Ų | 129 | 72.9 Ų | 72.9 | 49% | 0.489 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 179.8 | -174.6 | -104.1 | 0 | 0 | 0 | 111.5 | W63 C64 V65 Y70 C71 | W63-W67 HydrophobicContact CZ2-CE3 4.31Å; W63-W67 VanDerWaalsContact O-CB 3.26Å; W63-W67 WeakPolarHBondContact O-CB 3.21Å; W63-W67 PolarHBondContact O-N 2.99Å; C64-W67 PolarHBondContact O-N 2.98Å; V65-W67 VanDerWaalsContact C-N 3.34Å; V65-W67 PolarHBondContact O-N 3.22Å; W67-Y70 HydrophobicContact CE3-CD1 4.01Å; W67-Y70 HydrophobicContact CH2-CD1 4.28Å; W67-Y70 HydrophobicContact CH2-CE1 4.27Å; W67-Y70 AromaticContact CZ3-CD1 3.78Å; W67-Y70 HydrophobicContact CZ3-CD1 3.78Å; W67-Y70 AromaticContact CZ3-CE1 3.96Å; W67-Y70 HydrophobicContact CZ3-CE1 3.96Å; W67-Y70 WeakPolarHBondContact O-CB 3.49Å; W67-Y70 PolarHBondContact O-N 2.58Å; W67-C71 VanDerWaalsContact CE2-SG 3.55Å; W67-C71 PolarHBondContact NE1-SG 3.34Å; W67-C71 WeakPolarHBondContact O-CB 3.44Å; W67-C71 PolarHBondContact O-N 2.96Å; W67-C71 PolarHBondContact O-SG 3.44Å; W67-C71 VanDerWaalsContact O-SG 3.37Å |
| 68 | D | 93.3 | Very high | 88.8 | Confident | 38 Ų | 38 | 80.2 Ų | 80.2 | 20% | 0.203 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.3 | -167.8 | 37 | 0 | 0 | 0 | 111.9 | C64 V65 F66 Y70 C71 A72 H82 S83 A86 | C64-D68 WeakPolarHBondContact O-CB 3.45Å; C64-D68 PolarHBondContact O-N 2.98Å; V65-D68 PolarHBondContact O-N 3.38Å; F66-D68 VanDerWaalsContact C-N 3.34Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.4Å; D68-C71 PolarHBondContact O-N 3.23Å; D68-A72 VanDerWaalsContact O-CB 3.29Å; D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 3.31Å; D68-H82 WeakPolarHBondContact OD1-CA 3.26Å; D68-S83 PolarHBondContact OD1-N 3.37Å; D68-S83 WeakPolarHBondContact OD2-CB 3.41Å; D68-S83 PolarHBondContact OD2-OG 3.46Å; D68-A86 HydrophobicContact CB-CB 4.34Å; D68-A86 VanDerWaalsContact OD2-CB 3.27Å; D68-A86 WeakPolarHBondContact OD2-CB 3.43Å |
| 69 | L | 92.6 | Very high | 88.1 | Confident | 51 Ų | 51 | 81.7 Ų | 81.7 | 27% | 0.267 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 172.5 | -93.3 | 74.3 | 0 | 0 | 0 | 112.2 | V65 F66 A72 A73 A86 F89 H90 | V65-L69 HydrophobicContact CG1-CD1 3.95Å; V65-L69 VanDerWaalsContact O-CD1 3.29Å; V65-L69 WeakPolarHBondContact O-CD1 3.31Å; V65-L69 PolarHBondContact O-N 3.22Å; F66-L69 PolarHBondContact O-N 3.33Å; L69-A72 PolarHBondContact O-N 2.91Å; L69-A73 PolarHBondContact O-N 2.97Å; L69-A86 HydrophobicContact CD1-CB 3.97Å; L69-A86 HydrophobicContact CG-CB 4.4Å; L69-F89 HydrophobicContact CD2-CD1 3.91Å; L69-F89 HydrophobicContact CD2-CE1 4.11Å; L69-H90 PolarHBondContact O-NE2 2.97Å |
| 70 | Y | 90.5 | Very high | 87.4 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 34% | 0.341 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 178.4 | 177.9 | -102.4 | 0 | 0 | 0 | 111.7 | F66 W67 D68 A73 R76 | F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.48Å; F66-Y70 PolarHBondContact O-N 3.18Å; W67-Y70 HydrophobicContact CE3-CD1 4.01Å; W67-Y70 HydrophobicContact CH2-CD1 4.28Å; W67-Y70 HydrophobicContact CH2-CE1 4.27Å; W67-Y70 AromaticContact CZ3-CD1 3.78Å; W67-Y70 HydrophobicContact CZ3-CD1 3.78Å; W67-Y70 AromaticContact CZ3-CE1 3.96Å; W67-Y70 HydrophobicContact CZ3-CE1 3.96Å; W67-Y70 WeakPolarHBondContact O-CB 3.49Å; W67-Y70 PolarHBondContact O-N 2.58Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.4Å; Y70-A73 VanDerWaalsContact O-CB 3.25Å; Y70-A73 WeakPolarHBondContact O-CB 3.29Å; Y70-A73 PolarHBondContact O-N 3.48Å; Y70-R76 PolarHBondContact OH-NH1 2.73Å |
| 71 | C | 91.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 87.3 Ų | 87.3 | 1% | 0.014 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69 | -35.7 | 175.4 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | W67 D68 A73 R77 C80 H82 | W67-C71 VanDerWaalsContact CE2-SG 3.55Å; W67-C71 PolarHBondContact NE1-SG 3.34Å; W67-C71 WeakPolarHBondContact O-CB 3.44Å; W67-C71 PolarHBondContact O-N 2.96Å; W67-C71 PolarHBondContact O-SG 3.44Å; W67-C71 VanDerWaalsContact O-SG 3.37Å; D68-C71 PolarHBondContact O-N 3.23Å; C71-A73 PolarHBondContact O-N 3.37Å; C71-R77 WeakPolarHBondContact O-CA 3.45Å; C71-R77 PolarHBondContact O-N 3Å; C71-C80 HydrophobicContact CB-CB 3.72Å; C71-H82 HydrophobicContact CB-CB 3.95Å |
| 72 | A | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -7.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D68 L69 H82 A86 | D68-A72 VanDerWaalsContact O-CB 3.29Å; D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 3.31Å; L69-A72 PolarHBondContact O-N 2.91Å; A72-H82 HydrophobicContact CB-CB 4.02Å; A72-A86 HydrophobicContact CB-CB 3.59Å |
| 73 | A | 87.6 | Confident | 86.2 | Confident | 15 Ų | 15 | 81.7 Ų | 81.7 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -57.5 | 139.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L69 Y70 C71 D75 R76 R77 | L69-A73 PolarHBondContact O-N 2.97Å; Y70-A73 VanDerWaalsContact O-CB 3.25Å; Y70-A73 WeakPolarHBondContact O-CB 3.29Å; Y70-A73 PolarHBondContact O-N 3.48Å; C71-A73 PolarHBondContact O-N 3.37Å; A73-D75 PolarHBondContact O-N 3.27Å; A73-R76 PolarHBondContact O-N 2.94Å; A73-R77 WeakPolarHBondContact O-CB 3.44Å; A73-R77 PolarHBondContact O-N 2.88Å |
| 74 | P | 78 | Confident | 85.7 | Confident | 69 Ų | 69 | 79.8 Ų | 79.8 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.4 | -171.9 | 19.1 | -31.1 | 0 | 0 | 0 | 113.8 | R76 | P74-R76 VanDerWaalsContact C-N 3.28Å; P74-R76 PolarHBondContact O-N 3.42Å |
| 75 | D | 82.6 | Confident | 85.5 | Confident | 149 Ų | 149 | 84.1 Ų | 84.1 | 80% | 0.797 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.6 | 178.7 | -53.8 | -48.4 | 0 | 0 | 0 | 114 | A73 | A73-D75 PolarHBondContact O-N 3.27Š|
| 76 | R | 78.9 | Confident | 85.2 | Confident | 104 Ų | 104 | 80.6 Ų | 80.6 | 39% | 0.392 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -21.4 | -167.5 | -56.6 | -178.4 | -154.9 | -94.1 | -4.2 | 114 | Y70 A73 P74 E78 T79 C80 | Y70-R76 PolarHBondContact OH-NH1 2.73Å; A73-R76 PolarHBondContact O-N 2.94Å; P74-R76 VanDerWaalsContact C-N 3.28Å; P74-R76 PolarHBondContact O-N 3.42Å; R76-E78 PolarHBondContact O-N 3.05Å; R76-T79 PolarHBondContact O-N 3.15Å; R76-T79 PolarHBondContact O-OG1 3.43Å; R76-C80 PolarHBondContact O-N 2.8Å |
| 77 | R | 73.6 | Confident | 84.8 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 28% | 0.279 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.6 | -172.2 | 72.3 | 176.7 | -177.9 | -135.7 | -5.5 | 115.3 | C71 A73 T79 H82 D91 | C71-R77 WeakPolarHBondContact O-CA 3.45Å; C71-R77 PolarHBondContact O-N 3Å; A73-R77 WeakPolarHBondContact O-CB 3.44Å; A73-R77 PolarHBondContact O-N 2.88Å; R77-T79 VanDerWaalsContact C-N 3.28Å; R77-T79 PolarHBondContact O-N 3.26Å; R77-H82 PolarHBondContact O-CE1 3.38Å; R77-D91 IonicContact NH1-OD1 3.79Å |
| 78 | E | 72.8 | Confident | 84.5 | Confident | 159 Ų | 159 | 74.7 Ų | 74.7 | 74% | 0.743 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -17.7 | 176.8 | -55.1 | -63.4 | 148.6 | 0 | 0 | 112.6 | R76 | R76-E78 PolarHBondContact O-N 3.05Š|
| 79 | T | 77.6 | Confident | 84.2 | Confident | 122 Ų | 122 | 79 Ų | 79 | 75% | 0.748 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -16.2 | -173.9 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | R76 R77 | R76-T79 PolarHBondContact O-N 3.15Å; R76-T79 PolarHBondContact O-OG1 3.43Å; R77-T79 VanDerWaalsContact C-N 3.28Å; R77-T79 PolarHBondContact O-N 3.26Å |
| 80 | C | 78.6 | Confident | 83.9 | Confident | 44 Ų | 44 | 79 Ų | 79 | 30% | 0.297 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -122.3 | 135.5 | -176.1 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | C71 R76 H82 | C71-C80 HydrophobicContact CB-CB 3.72Å; R76-C80 PolarHBondContact O-N 2.8Å; C80-H82 PolarHBondContact O-ND1 2.93Å |
| 81 | E | 80.4 | Confident | 83.5 | Confident | 194 Ų | 194 | 77.8 Ų | 77.8 | 91% | 0.907 | 40% | 0.403 | S | S | * | . | trans | -68.2 | 132.5 | 171.9 | -164 | 167.3 | -175.6 | 0 | 0 | 109.8 | ||||
| 82 | H | 87.3 | Confident | 83 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 27% | 0.269 | 44% | 0.435 | S | S | . | . | trans | -149.9 | 156.3 | -172.7 | 57 | -80 | 0 | 0 | 0 | 110.8 | D68 C71 A72 R77 C80 | D68-H82 WeakPolarHBondContact OD1-CA 3.26Å; C71-H82 HydrophobicContact CB-CB 3.95Å; A72-H82 HydrophobicContact CB-CB 4.02Å; R77-H82 PolarHBondContact O-CE1 3.38Å; C80-H82 PolarHBondContact O-ND1 2.93Å | ||
| 83 | S | 86.6 | Confident | 82.2 | Confident | 38 Ų | 38 | 89.7 Ų | 89.7 | 27% | 0.266 | 46% | 0.46 | S | S | . | . | trans | -76.9 | 153 | 179.4 | 92.1 | 0 | 0 | 0 | 0 | 112.4 | D68 E85 A86 K87 | D68-S83 PolarHBondContact OD1-N 3.37Å; D68-S83 WeakPolarHBondContact OD2-CB 3.41Å; D68-S83 PolarHBondContact OD2-OG 3.46Å; S83-E85 PolarHBondContact O-N 3.16Å; S83-E85 PolarHBondContact OG-N 3.49Å; S83-A86 PolarHBondContact O-N 2.82Å; S83-A86 PolarHBondContact OG-N 3.37Å; S83-K87 PolarHBondContact O-N 3.38Å; S83-K87 VanDerWaalsContact O-N 3.16Å | ||
| 84 | S | 84.6 | Confident | 81.1 | Confident | 102 Ų | 102 | 92.1 Ų | 92.1 | 71% | 0.713 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.8 | -27 | 174.8 | 52 | 0 | 0 | 0 | 0 | 113 | A88 | S84-A88 WeakPolarHBondContact O-CB 3.1Å; S84-A88 PolarHBondContact O-N 3.07Å |
| 85 | E | 88.8 | Confident | 80.3 | Confident | 150 Ų | 150 | 92.7 Ų | 92.7 | 70% | 0.701 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.1 | -43.6 | 178.4 | -62.8 | -172.5 | 156.3 | 0 | 0 | 111.2 | S83 K87 A88 F89 | S83-E85 PolarHBondContact O-N 3.16Å; S83-E85 PolarHBondContact OG-N 3.49Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.44Å; E85-A88 PolarHBondContact O-N 2.85Å; E85-F89 PolarHBondContact O-N 3.45Å |
| 86 | A | 87.4 | Confident | 79.1 | Confident | 2 Ų | 2 | 89.5 Ų | 89.5 | 2% | 0.017 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | D68 L69 A72 S83 F89 H90 | D68-A86 HydrophobicContact CB-CB 4.34Å; D68-A86 VanDerWaalsContact OD2-CB 3.27Å; D68-A86 WeakPolarHBondContact OD2-CB 3.43Å; L69-A86 HydrophobicContact CD1-CB 3.97Å; L69-A86 HydrophobicContact CG-CB 4.4Å; A72-A86 HydrophobicContact CB-CB 3.59Å; S83-A86 PolarHBondContact O-N 2.82Å; S83-A86 PolarHBondContact OG-N 3.37Å; A86-F89 PolarHBondContact O-N 2.82Å; A86-H90 PolarHBondContact O-CD2 2.9Å; A86-H90 PolarHBondContact O-N 3.4Å |
| 87 | K | 86.4 | Confident | 77.5 | Confident | 76 Ų | 76 | 87 Ų | 87 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 172.5 | -174.9 | 179 | -178.4 | -62 | 0 | 111.5 | S83 E85 F89 H90 D91 | S83-K87 PolarHBondContact O-N 3.38Å; S83-K87 VanDerWaalsContact O-N 3.16Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.44Å; K87-F89 VanDerWaalsContact C-N 3.27Å; K87-F89 PolarHBondContact O-N 2.84Å; K87-H90 PolarHBondContact O-N 3.3Å; K87-D91 IonicContact NZ-OD2 2.65Å; K87-D91 PolarHBondContact NZ-OD2 3.4Å; K87-D91 WeakPolarHBondContact O-CB 3.35Å; K87-D91 VanDerWaalsContact O-CG 3.3Å; K87-D91 PolarHBondContact O-N 3.35Å |
| 88 | A | 87.1 | Confident | 76.1 | Confident | 34 Ų | 34 | 89.6 Ų | 89.6 | 28% | 0.281 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S84 E85 H90 D91 Y92 | S84-A88 WeakPolarHBondContact O-CB 3.1Å; S84-A88 PolarHBondContact O-N 3.07Å; E85-A88 PolarHBondContact O-N 2.85Å; A88-H90 PolarHBondContact O-N 3.18Å; A88-D91 PolarHBondContact O-N 2.83Å; A88-Y92 HydrophobicContact CB-CD2 4.21Å; A88-Y92 HydrophobicContact CB-CE2 4.19Å; A88-Y92 WeakPolarHBondContact O-CB 3.5Å; A88-Y92 WeakPolarHBondContact O-CD2 3.22Å; A88-Y92 PolarHBondContact O-N 3.33Å |
| 89 | F | 88 | Confident | 74.6 | Confident | 128 Ų | 128 | 86.2 Ų | 86.2 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.7 | -46.4 | 177.8 | -169.5 | -95.1 | 0 | 0 | 0 | 112.4 | L69 E85 A86 K87 S93 | L69-F89 HydrophobicContact CD2-CD1 3.91Å; L69-F89 HydrophobicContact CD2-CE1 4.11Å; E85-F89 PolarHBondContact O-N 3.45Å; A86-F89 PolarHBondContact O-N 2.82Å; K87-F89 VanDerWaalsContact C-N 3.27Å; K87-F89 PolarHBondContact O-N 2.84Å; F89-S93 VanDerWaalsContact O-CB 3.25Å; F89-S93 WeakPolarHBondContact O-CB 3.26Å; F89-S93 PolarHBondContact O-N 2.92Å |
| 90 | H | 86.2 | Confident | 73.2 | Confident | 53 Ų | 53 | 86.7 Ų | 86.7 | 25% | 0.245 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 175.1 | -77.9 | -73.3 | 0 | 0 | 0 | 112.4 | L69 A86 K87 A88 S93 A94 | L69-H90 PolarHBondContact O-NE2 2.97Å; A86-H90 PolarHBondContact O-CD2 2.9Å; A86-H90 PolarHBondContact O-N 3.4Å; K87-H90 PolarHBondContact O-N 3.3Å; A88-H90 PolarHBondContact O-N 3.18Å; H90-S93 PolarHBondContact O-N 3.48Å; H90-A94 WeakPolarHBondContact O-CB 3.25Å; H90-A94 PolarHBondContact O-N 3.34Å |
| 91 | D | 82.8 | Confident | 71.8 | Confident | 61 Ų | 61 | 90.7 Ų | 90.7 | 33% | 0.326 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | -179.2 | -70.4 | -18.6 | 0 | 0 | 0 | 111.9 | R77 K87 A88 A94 A95 | R77-D91 IonicContact NH1-OD1 3.79Å; K87-D91 IonicContact NZ-OD2 2.65Å; K87-D91 PolarHBondContact NZ-OD2 3.4Å; K87-D91 WeakPolarHBondContact O-CB 3.35Å; K87-D91 VanDerWaalsContact O-CG 3.3Å; K87-D91 PolarHBondContact O-N 3.35Å; A88-D91 PolarHBondContact O-N 2.83Å; D91-A94 PolarHBondContact O-N 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.49Å; D91-A95 PolarHBondContact O-N 3.29Å |
| 92 | Y | 78.9 | Confident | 70.2 | Confident | 176 Ų | 176 | 89.4 Ų | 89.4 | 69% | 0.69 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69 | -38.2 | 174 | -79.3 | -62.8 | 0 | 0 | 0 | 112.1 | A88 A94 A95 A96 | A88-Y92 HydrophobicContact CB-CD2 4.21Å; A88-Y92 HydrophobicContact CB-CE2 4.19Å; A88-Y92 WeakPolarHBondContact O-CB 3.5Å; A88-Y92 WeakPolarHBondContact O-CD2 3.22Å; A88-Y92 PolarHBondContact O-N 3.33Å; Y92-A94 VanDerWaalsContact C-N 3.32Å; Y92-A95 PolarHBondContact O-N 3.4Å; Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.32Å; Y92-A96 PolarHBondContact O-N 3.49Å |
| 93 | S | 73 | Confident | 68.3 | Low | 75 Ų | 75 | 90 Ų | 90 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69 | -32.3 | 177.7 | -154.7 | 0 | 0 | 0 | 0 | 112 | F89 H90 A97 | F89-S93 VanDerWaalsContact O-CB 3.25Å; F89-S93 WeakPolarHBondContact O-CB 3.26Å; F89-S93 PolarHBondContact O-N 2.92Å; H90-S93 PolarHBondContact O-N 3.48Å; S93-A97 PolarHBondContact O-N 3.16Å |
| 94 | A | 64.3 | Low | 66.2 | Low | 66 Ų | 66 | 95.7 Ų | 95.7 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.2 | -35.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H90 D91 Y92 | H90-A94 WeakPolarHBondContact O-CB 3.25Å; H90-A94 PolarHBondContact O-N 3.34Å; D91-A94 PolarHBondContact O-N 3.26Å; Y92-A94 VanDerWaalsContact C-N 3.32Å |
| 95 | A | 61 | Low | 64.1 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.4 | -23.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D91 Y92 | D91-A95 WeakPolarHBondContact O-CB 3.49Å; D91-A95 PolarHBondContact O-N 3.29Å; Y92-A95 PolarHBondContact O-N 3.4Å |
| 96 | A | 57.6 | Low | 62 | Low | 83 Ų | 83 | 96.8 Ų | 96.8 | 69% | 0.686 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -87.2 | -8.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y92 | Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.32Å; Y92-A96 PolarHBondContact O-N 3.49Å |
| 97 | A | 44.7 | Very low | 60.2 | Low | 52 Ų | 52 | 102.9 Ų | 102.9 | 43% | 0.43 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -69.7 | 129.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | S93 S99 | S93-A97 PolarHBondContact O-N 3.16Å; A97-S99 VanDerWaalsContact C-N 3.28Å; A97-S99 PolarHBondContact O-N 3.29Å |
| 98 | P | 44.7 | Very low | 58.2 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 83% | 0.825 | 65% | 0.647 | S | S | * | * | trans | -62.5 | 98.3 | 165.8 | 26.6 | -31.1 | 0 | 0 | 0 | 106.9 | P100 | P98-P100 WeakPolarHBondContact O-CD 3.25Š| ||
| 99 | S | 39.9 | Very low | 56.3 | Low | 89 Ų | 89 | 111.8 Ų | 111.8 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | trans | -60.1 | 125.7 | 174.4 | -79 | 0 | 0 | 0 | 0 | 108.2 | A97 V101 | A97-S99 VanDerWaalsContact C-N 3.28Å; A97-S99 PolarHBondContact O-N 3.29Å; S99-V101 PolarHBondContact O-N 3.04Å | ||
| 100 | P | 49.9 | Very low | 53.8 | Low | 131 Ų | 131 | 108.9 Ų | 108.9 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | trans | -77.1 | 65.7 | 171 | 32.9 | -32.7 | 0 | 0 | 0 | 109 | P98 | P98-P100 WeakPolarHBondContact O-CD 3.25Š| ||
| 101 | V | 48.7 | Very low | 51.7 | Low | 128 Ų | 128 | 115.1 Ų | 115.1 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | -99.2 | 81.5 | 169.1 | 145 | 0 | 0 | 0 | 0 | 107.3 | S99 | S99-V101 PolarHBondContact O-N 3.04Š| ||
| 102 | M | 45.6 | Very low | 50 | Low | 168 Ų | 168 | 117.6 Ų | 117.6 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | trans | -161.6 | 57.3 | 145.9 | -157 | 162.4 | -78.7 | 0 | 0 | 110.9 | ||||
| 103 | G | 49.2 | Very low | 48.5 | Very low | 69 Ų | 69 | 113.3 Ų | 113.3 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -110.7 | 79.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 104 | N | 42 | Very low | 46.7 | Very low | 158 Ų | 158 | 113 Ų | 113 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | 170.3 | 81.4 | 152.9 | -100.8 | 22.7 | 0 | 0 | 0 | 110 | ||||
| 105 | M | 40.1 | Very low | 45.8 | Very low | 166 Ų | 166 | 116.2 Ų | 116.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -110 | 116.2 | 148.2 | -101.4 | 170.9 | -179.4 | 0 | 0 | 106.5 | ||||
| 106 | P | 44.5 | Very low | 45.1 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -63.9 | 139.5 | 168.9 | 27.4 | -31.2 | 0 | 0 | 0 | 108.5 | N108 | P106-N108 PolarHBondContact O-N 2.94Š| ||
| 107 | P | 50 | Low | 44.6 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -72 | 104.1 | 174.5 | 28 | -28.1 | 0 | 0 | 0 | 107.2 | ||||
| 108 | N | 44.4 | Very low | 44.6 | Very low | 149 Ų | 149 | 126.2 Ų | 126.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -116.7 | 118.9 | 168.8 | -162.1 | 59.2 | 0 | 0 | 0 | 110.2 | P106 | P106-N108 PolarHBondContact O-N 2.94Š| ||
| 109 | D | 47 | Very low | 44.3 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -51 | 144.8 | 172.3 | -63.9 | -77 | 0 | 0 | 0 | 114.3 | ||||
| 110 | G | 35.6 | Very low | 44.3 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 105.9 | 92.5 | 137.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 111 | M | 42.7 | Very low | 43.9 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 64.4 | 165.4 | 132.6 | -74.2 | -108.9 | 177.3 | 0 | 0 | 121 | ||||
| 112 | P | 45.9 | Very low | 43.3 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | cis | -126 | 162.6 | -17.6 | 29.4 | -9.2 | 0 | 0 | 0 | 113.6 | ||||
| 113 | G | 47.9 | Very low | 42.6 | Very low | 85 Ų | 85 | 131 Ų | 131 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -63.9 | 136.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 114 | G | 36.1 | Very low | 42.6 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -112.9 | 146.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 115 | P | 44.6 | Very low | 42.6 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 135.8 | -165.2 | 29.7 | -34 | 0 | 0 | 0 | 113.4 | ||
| 116 | M | 46.9 | Very low | 42.2 | Very low | 178 Ų | 178 | 127.3 Ų | 127.3 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 135.9 | 172.9 | -146 | -165.7 | -59.6 | 0 | 0 | 109.8 | ||
| 117 | P | 45.7 | Very low | 42.3 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 143.1 | 176.2 | 27.9 | -32.7 | 0 | 0 | 0 | 111.7 | ||
| 118 | P | 45.4 | Very low | 41.6 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 119.7 | -174.8 | 31.8 | -30.4 | 0 | 0 | 0 | 110.9 | ||
| 119 | G | 38.1 | Very low | 41.5 | Very low | 64 Ų | 64 | 128.9 Ų | 128.9 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | -150.8 | 98.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 120 | F | 39.2 | Very low | 40.8 | Very low | 213 Ų | 213 | 127.6 Ų | 127.6 | 93% | 0.934 | 81% | 0.809 | S | S | * | * | trans | 61.3 | 78.3 | 151.7 | -74.8 | -99.9 | 0 | 0 | 0 | 117.9 | Q122 | F120-Q122 PolarHBondContact O-N 3.32Š| ||
| 121 | F | 41.7 | Very low | 41.2 | Very low | 206 Ų | 206 | 129.2 Ų | 129.2 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -70.9 | 118 | 149.6 | -137 | -93.7 | 0 | 0 | 0 | 108.4 | ||||
| 122 | Q | 35.8 | Very low | 41.2 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | 172.3 | 123.7 | 128.6 | -93.2 | -165.3 | 77.7 | 0 | 0 | 112.1 | F120 | F120-Q122 PolarHBondContact O-N 3.32Š| |||
| 123 | G | 30.9 | Very low | 40.7 | Very low | 73 Ų | 73 | 130.5 Ų | 130.5 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 176.2 | 107.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 124 | P | 49.8 | Very low | 40.2 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | -119.8 | 171.5 | 129.1 | 37.5 | -28.3 | 0 | 0 | 0 | 108.3 | |||||
| 125 | P | 42.1 | Very low | 40.6 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | cis | -130.5 | -177.6 | -4.5 | 37.4 | -18.4 | 0 | 0 | 0 | 112.7 | ||||
| 126 | G | 32 | Very low | 40.9 | Very low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 117.6 | 105.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 127 | S | 47.3 | Very low | 41.1 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 18.3 | 109.1 | 136.6 | 50 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 128 | Q | 35.4 | Very low | 40.9 | Very low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -150.2 | 148.6 | 138.8 | -95.2 | -151.7 | -40 | 0 | 0 | 112.2 | ||||
| 129 | P | 40.8 | Very low | 40.8 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 147.7 | -166.9 | 33 | -34.8 | 0 | 0 | 0 | 113.4 | ||
| 130 | S | 32.9 | Very low | 41.3 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 130.6 | 171.6 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 131 | P | 45.1 | Very low | 41.6 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 145.3 | 160.8 | 33.5 | -26 | 0 | 0 | 0 | 109.4 | ||
| 132 | H | 40.8 | Very low | 41.5 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | 112.6 | 67.4 | 171.6 | -55.9 | -51.4 | 0 | 0 | 0 | 116.9 | ||||
| 133 | T | 37 | Very low | 42.2 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -118.4 | 106.6 | 137.2 | 20.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 134 | Q | 36.8 | Very low | 43.1 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 122.7 | 165.7 | -103.4 | -166.3 | -24.6 | 0 | 0 | 108.9 | ||
| 135 | P | 45.4 | Very low | 42.9 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 153.9 | 158.4 | 32 | -28 | 0 | 0 | 0 | 110.5 | ||
| 136 | P | 49.8 | Very low | 42.7 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 152.7 | 179.8 | 28 | -32.2 | 0 | 0 | 0 | 112 | ||
| 137 | P | 50.8 | Low | 43.4 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 130.5 | -175.2 | 30 | -32.2 | 0 | 0 | 0 | 111.9 | ||
| 138 | H | 42.1 | Very low | 43.2 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82 | 133.3 | 171.3 | -72.8 | -56 | 0 | 0 | 0 | 111.4 | ||
| 139 | N | 43 | Very low | 43.8 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 124.7 | 175.3 | -172.5 | 13.4 | 0 | 0 | 0 | 110.6 | S141 | N139-S141 PolarHBondContact O-N 2.86Š|
| 140 | P | 47.9 | Very low | 43.7 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -94.5 | 61.1 | -172.6 | 37.1 | -34.3 | 0 | 0 | 0 | 113.1 | ||||
| 141 | S | 45.3 | Very low | 44.6 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -145.8 | 69.8 | 174.9 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | N139 | N139-S141 PolarHBondContact O-N 2.86Š| ||
| 142 | N | 41.4 | Very low | 44.7 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -172.7 | 141.1 | 142.4 | -114 | 11.8 | 0 | 0 | 0 | 111.2 | ||
| 143 | P | 49.5 | Very low | 44.8 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -78 | 143.9 | -177.7 | 30.4 | -31.6 | 0 | 0 | 0 | 113.2 | ||||
| 144 | M | 50.6 | Low | 44.8 | Very low | 186 Ų | 186 | 138 Ų | 138 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -47.7 | 128.7 | 174.6 | -83.4 | 149.5 | 54.2 | 0 | 0 | 114.6 | ||||
| 145 | M | 44.8 | Very low | 45.3 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 97% | 0.966 | 78% | 0.782 | S | S | * | * | trans | -166.2 | 129 | 146.5 | -115.7 | -179.4 | 164.4 | 0 | 0 | 111.2 | ||||
| 146 | G | 38.1 | Very low | 45.4 | Very low | 53 Ų | 53 | 140.9 Ų | 140.9 | 55% | 0.546 | 79% | 0.791 | S | S | . | * | trans | 124.4 | 122.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | H148 | G146-H148 PolarHBondContact O-N 2.65Š| ||
| 147 | P | 47.6 | Very low | 44.9 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -83 | 112.5 | 175.4 | 32.6 | -27.9 | 0 | 0 | 0 | 109.8 | ||||
| 148 | H | 42.3 | Very low | 44.5 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -118 | 92.1 | 175.6 | -68.3 | -49.3 | 0 | 0 | 0 | 110.6 | G146 Q150 | G146-H148 PolarHBondContact O-N 2.65Å; H148-Q150 PolarHBondContact O-N 2.9Å | ||
| 149 | G | 47.8 | Very low | 44.4 | Very low | 79 Ų | 79 | 140.9 Ų | 140.9 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 120.4 | 154 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 150 | Q | 39.3 | Very low | 44.5 | Very low | 160 Ų | 160 | 137 Ų | 137 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 127 | 172 | -71 | -75.2 | -34 | 0 | 0 | 108.3 | H148 F152 | H148-Q150 PolarHBondContact O-N 2.9Å; Q150-F152 PolarHBondContact O-N 3.32Å |
| 151 | P | 51.2 | Low | 44.1 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 121.1 | 162 | 27.6 | -27.9 | 0 | 0 | 0 | 109.3 | M153 | P151-M153 VanDerWaalsContact C-N 3.34Å; P151-M153 PolarHBondContact O-N 3.07Å |
| 152 | F | 47 | Very low | 44.1 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -74.7 | 89 | 170.1 | -167.2 | -93.5 | 0 | 0 | 0 | 108.4 | Q150 | Q150-F152 PolarHBondContact O-N 3.32Š|
| 153 | M | 43.7 | Very low | 43.8 | Very low | 160 Ų | 160 | 142 Ų | 142 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 161 | 106 | 147.2 | -89.4 | 174.4 | 147.8 | 0 | 0 | 109.6 | P151 | P151-M153 VanDerWaalsContact C-N 3.34Å; P151-M153 PolarHBondContact O-N 3.07Å | ||
| 154 | S | 37.1 | Very low | 43.3 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -86.5 | 138.3 | 161.9 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | R156 | S154-R156 PolarHBondContact O-N 3.23Š| ||
| 155 | P | 47.3 | Very low | 42.9 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 109.5 | 168.5 | -20.4 | 32.3 | 0 | 0 | 0 | 110.1 | Y157 | P155-Y157 PolarHBondContact O-N 3.38Å; P155-Y157 VanDerWaalsContact O-N 3.15Å | ||
| 156 | R | 47.8 | Very low | 42.9 | Very low | 240 Ų | 240 | 140.1 Ų | 140.1 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -79.1 | 87.7 | 168 | -78.6 | -179.1 | 174.1 | -177.8 | -1.2 | 108.8 | S154 | S154-R156 PolarHBondContact O-N 3.23Š| ||
| 157 | Y | 39.1 | Very low | 43 | Very low | 207 Ų | 207 | 145.5 Ų | 145.5 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -112.1 | 127.3 | 154.3 | -80.2 | -81.8 | 0 | 0 | 0 | 108.8 | P155 G159 | P155-Y157 PolarHBondContact O-N 3.38Å; P155-Y157 VanDerWaalsContact O-N 3.15Å; Y157-G159 PolarHBondContact O-N 3.45Å | ||
| 158 | P | 41.7 | Very low | 42.4 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -66.2 | 115.3 | 164.8 | -11.9 | 27.1 | 0 | 0 | 0 | 108.2 | G160 | P158-G160 PolarHBondContact O-N 2.96Å; P158-G160 VanDerWaalsContact O-N 3.15Å | ||
| 159 | G | 40.7 | Very low | 42.7 | Very low | 85 Ų | 85 | 145.5 Ų | 145.5 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -64.6 | 109.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y157 | Y157-G159 PolarHBondContact O-N 3.45Š| ||
| 160 | G | 45.2 | Very low | 42.5 | Very low | 60 Ų | 60 | 149.2 Ų | 149.2 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | trans | -104 | 145.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110 | P158 R162 | P158-G160 PolarHBondContact O-N 2.96Å; P158-G160 VanDerWaalsContact O-N 3.15Å; G160-R162 PolarHBondContact O-N 2.97Å | ||
| 161 | P | 38.8 | Very low | 42.5 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -70.5 | 115.7 | -177.1 | 28.5 | -31.8 | 0 | 0 | 0 | 110 | ||||
| 162 | R | 45.3 | Very low | 42.1 | Very low | 235 Ų | 235 | 147.2 Ų | 147.2 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 129.2 | 173.3 | -128.1 | -177.2 | 177.3 | -166.3 | -0.6 | 109.2 | G160 S164 | G160-R162 PolarHBondContact O-N 2.97Å; R162-S164 PolarHBondContact O-N 3.49Å |
| 163 | P | 35.8 | Very low | 41.7 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63 | 130.9 | 175 | -17.8 | 29.6 | 0 | 0 | 0 | 110.8 | L165 | P163-L165 PolarHBondContact O-N 2.97Š|
| 164 | S | 39.1 | Very low | 41.3 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.8 | 173 | -48.2 | 0 | 0 | 0 | 0 | 109.8 | R162 R166 | R162-S164 PolarHBondContact O-N 3.49Å; S164-R166 PolarHBondContact O-N 2.86Å |
| 165 | L | 42.3 | Very low | 41.5 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | trans | -61.3 | 101.5 | 163.5 | -82 | 155.8 | 0 | 0 | 0 | 108.2 | P163 | P163-L165 PolarHBondContact O-N 2.97Š| ||
| 166 | R | 43.8 | Very low | 41.2 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 62% | 0.623 | 81% | 0.807 | S | S | * | * | trans | -86.8 | 124.7 | 178.6 | -170.1 | 177.3 | -175.9 | 167.5 | 1.8 | 109.5 | S164 Q170 | S164-R166 PolarHBondContact O-N 2.86Å; R166-Q170 PolarHBondContact NH2-O 3.31Å | ||
| 167 | M | 39.4 | Very low | 40.3 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -58.3 | 136.1 | 164.5 | -71.1 | -83.4 | -87.5 | 0 | 0 | 110 | N169 | M167-N169 PolarHBondContact O-N 3.27Š| ||
| 168 | P | 36.2 | Very low | 40.1 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -84.9 | 75.3 | -174.5 | 33.4 | -33.2 | 0 | 0 | 0 | 111.3 | ||
| 169 | N | 47.1 | Very low | 40.1 | Very low | 157 Ų | 157 | 132.7 Ų | 132.7 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -172.3 | 61.3 | 152.1 | -152.1 | 34.2 | 0 | 0 | 0 | 116 | M167 | M167-N169 PolarHBondContact O-N 3.27Š| ||
| 170 | Q | 43.8 | Very low | 40.5 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -143.6 | 137.4 | 167 | -104.1 | -169.9 | -20 | 0 | 0 | 113.2 | R166 | R166-Q170 PolarHBondContact NH2-O 3.31Š| ||
| 171 | P | 39.2 | Very low | 40.4 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | trans | -75.8 | 155.8 | -179.5 | 32.3 | -33.2 | 0 | 0 | 0 | 112 | ||||
| 172 | P | 42.8 | Very low | 40.7 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -95 | 135 | -169.1 | 33.9 | -29.6 | 0 | 0 | 0 | 114 | ||||
| 173 | G | 39.5 | Very low | 40.7 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 143.4 | 101.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 174 | S | 35.6 | Very low | 40.7 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 171.1 | 127.1 | 138.8 | 56 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 175 | I | 40.3 | Very low | 40.6 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -120.2 | 174.9 | 163.2 | -31.5 | 177.9 | 0 | 0 | 0 | 107.4 | ||||
| 176 | P | 41.1 | Very low | 41.1 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | -114.6 | 160.6 | -92.8 | 36.7 | -20.6 | 0 | 0 | 0 | 113.3 | |||||
| 177 | G | 29.8 | Very low | 40.8 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | 158.8 | 131.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 178 | S | 34.9 | Very low | 41.1 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 56.4 | 112.3 | 148.4 | 51.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 179 | Q | 41 | Very low | 41.5 | Very low | 180 Ų | 180 | 130.6 Ų | 130.6 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -53.5 | 149.2 | 151.8 | -75.5 | -95.3 | -31.8 | 0 | 0 | 111.3 | ||||
| 180 | P | 49.4 | Very low | 41 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | -145.9 | 147.1 | 100.2 | 34.7 | -17.3 | 0 | 0 | 0 | 116.3 | |||||
| 181 | L | 42.4 | Very low | 41.1 | Very low | 159 Ų | 159 | 133 Ų | 133 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 57.9 | 126 | 138.6 | -59 | 168.6 | 0 | 0 | 0 | 120.9 | ||||
| 182 | L | 44.8 | Very low | 41 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -61 | 161.4 | 177 | -61.4 | 161.2 | 0 | 0 | 0 | 114.2 | ||||
| 183 | P | 45.7 | Very low | 40.6 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | -130 | 146.8 | 116.1 | 36.2 | -27 | 0 | 0 | 0 | 113.6 | |||||
| 184 | N | 35.9 | Very low | 40.3 | Very low | 164 Ų | 164 | 141 Ų | 141 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -79.7 | 122.7 | 179.8 | -164.8 | 48.8 | 0 | 0 | 0 | 110.6 | ||||
| 185 | S | 38.3 | Very low | 40.9 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | trans | -171.8 | 114.5 | 161 | 43.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 186 | L | 52.7 | Low | 40.6 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | 76.4 | 91.1 | 143.3 | -67.7 | 151.2 | 0 | 0 | 0 | 119.7 | ||||
| 187 | D | 37.8 | Very low | 40.8 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 66% | 0.663 | 81% | 0.806 | S | S | * | * | trans | -61.7 | 126.9 | 158.1 | 168.3 | 14.3 | 0 | 0 | 0 | 112.4 | T189 | D187-T189 PolarHBondContact OD1-N 2.78Å; D187-T189 VanDerWaalsContact OD1-N 3.17Å; D187-T189 PolarHBondContact OD1-OG1 2.91Å | ||
| 188 | P | 45.2 | Very low | 41.2 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -100.9 | 54.4 | 178.4 | 38.1 | -32.3 | 0 | 0 | 0 | 114 | ||
| 189 | T | 43.3 | Very low | 41.4 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -134.6 | 21.3 | 176.6 | 61 | 0 | 0 | 0 | 0 | 118.1 | D187 | D187-T189 PolarHBondContact OD1-N 2.78Å; D187-T189 VanDerWaalsContact OD1-N 3.17Å; D187-T189 PolarHBondContact OD1-OG1 2.91Å | ||
| 190 | R | 38.3 | Very low | 41.8 | Very low | 247 Ų | 247 | 138.2 Ų | 138.2 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -100.7 | 132.5 | 171.2 | -159.7 | 172.4 | -178.4 | 138 | -0.5 | 113.4 | ||||
| 191 | P | 45.6 | Very low | 41.3 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | -90.8 | 143 | -167.1 | 35.1 | -34.4 | 0 | 0 | 0 | 114.2 | ||||
| 192 | Q | 37.3 | Very low | 41.5 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | trans | -144.7 | 125 | 165.8 | -98 | -155.5 | -28.7 | 0 | 0 | 111.8 | ||||
| 193 | G | 32.6 | Very low | 41.3 | Very low | 83 Ų | 83 | 145.3 Ų | 145.3 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 93.8 | 108.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 194 | H | 35 | Very low | 41.5 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -74.1 | 161.9 | 166.2 | -91.7 | -83.5 | 0 | 0 | 0 | 113 | ||||
| 195 | P | 48.3 | Very low | 42.2 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | -144.9 | 144.6 | 93.3 | 35.9 | -17.8 | 0 | 0 | 0 | 116.4 | |||||
| 196 | N | 34.1 | Very low | 43 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | 84.4 | 90.4 | 143.4 | -148.5 | 19.2 | 0 | 0 | 0 | 120.2 | ||||
| 197 | M | 44.3 | Very low | 42.7 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 86% | 0.862 | 82% | 0.823 | S | S | * | * | 177.3 | 115.5 | 112 | -92.8 | -172.8 | -173.7 | 0 | 0 | 110.9 | |||||
| 198 | G | 39 | Very low | 42.7 | Very low | 83 Ų | 83 | 147 Ų | 147 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | 77.2 | 106.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 199 | G | 38.8 | Very low | 42.4 | Very low | 78 Ų | 78 | 150.8 Ų | 150.8 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -79.4 | -165.8 | 158 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 200 | P | 48.4 | Very low | 42 | Very low | 119 Ų | 119 | 149 Ų | 149 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | cis | -130.2 | 166.4 | -7.4 | 40.2 | -23.4 | 0 | 0 | 0 | 115.2 | ||||
| 201 | M | 39.7 | Very low | 42 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 84% | 0.837 | 84% | 0.836 | S | S | * | * | trans | 64 | 107.5 | 141.1 | -67.6 | -91.9 | -142.5 | 0 | 0 | 121.8 | ||||
| 202 | R | 47.1 | Very low | 41.7 | Very low | 231 Ų | 231 | 145.1 Ų | 145.1 | 87% | 0.872 | 85% | 0.847 | S | S | * | * | 12.8 | 130.8 | 126.7 | -64 | 179.8 | 176.2 | -88.9 | -1.1 | 118.3 | |||||
| 203 | M | 40.3 | Very low | 41.9 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -159.2 | 138.2 | 132.7 | -155.7 | 56.2 | 167 | 0 | 0 | 113.8 | ||||
| 204 | N | 50 | Low | 42.5 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 153.8 | 167.8 | -97.2 | -0.9 | 0 | 0 | 0 | 112.6 | P206 | N204-P206 WeakPolarHBondContact O-CD 3.43Š|
| 205 | P | 50 | Low | 42.7 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 125.4 | 168.9 | 30.5 | -28.9 | 0 | 0 | 0 | 110.3 | ||
| 206 | P | 54.5 | Low | 42 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 137.7 | 175.7 | 32.9 | -29.6 | 0 | 0 | 0 | 111 | N204 | N204-P206 WeakPolarHBondContact O-CD 3.43Š|
| 207 | R | 48.1 | Very low | 41.9 | Very low | 251 Ų | 251 | 146 Ų | 146 | 95% | 0.947 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 125.2 | 160.4 | -177.9 | 176.8 | 178.5 | 115.4 | -4.2 | 108.9 | ||
| 208 | G | 36.8 | Very low | 41.4 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | trans | 93 | 108.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 209 | M | 39.9 | Very low | 41.3 | Very low | 199 Ų | 199 | 141.4 Ų | 141.4 | 98% | 0.98 | 84% | 0.837 | S | S | * | * | trans | 178.6 | 119.7 | 144.7 | -104.2 | -173.3 | 164.4 | 0 | 0 | 105.1 | ||||
| 210 | G | 34.2 | Very low | 41.4 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | 105.8 | 76.5 | 53.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 211 | G | 37.9 | Very low | 41.2 | Very low | 83 Ų | 83 | 144.8 Ų | 144.8 | 86% | 0.856 | 84% | 0.843 | S | S | * | * | trans | -98.9 | 115.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 212 | M | 40.1 | Very low | 41.8 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 100% | 0.995 | 85% | 0.846 | S | S | * | * | trans | -62.9 | 127.8 | -177.3 | -69.3 | 157.5 | 91 | 0 | 0 | 112.5 | ||||
| 213 | G | 41.2 | Very low | 41.9 | Very low | 66 Ų | 66 | 142.9 Ų | 142.9 | 68% | 0.68 | 84% | 0.842 | S | S | * | * | trans | -146.5 | 144 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 214 | P | 44.7 | Very low | 42.6 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -79.6 | 146.1 | -149.4 | 30.4 | -34.4 | 0 | 0 | 0 | 115.5 | ||||
| 215 | Q | 40 | Very low | 42.4 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -5.6 | 129.4 | 162 | -69.5 | 156.1 | -54.5 | 0 | 0 | 118.5 | ||||
| 216 | N | 33 | Very low | 42 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 84% | 0.841 | S | S | * | * | -163.2 | 153 | 119 | -149.8 | 3.9 | 0 | 0 | 0 | 113.7 | |||||
| 217 | Y | 31.7 | Very low | 41.2 | Very low | 218 Ų | 218 | 140.7 Ų | 140.7 | 86% | 0.855 | 84% | 0.843 | S | S | * | * | trans | -57.3 | 152.5 | -170.4 | -92.8 | -115.3 | 0 | 0 | 0 | 119.5 | ||||
| 218 | G | 34.3 | Very low | 40.7 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | trans | 81.8 | 131.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 219 | G | 36.4 | Very low | 40.6 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | cis | 131.1 | 113 | 27.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 220 | G | 42.1 | Very low | 40.9 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 84% | 0.841 | S | S | * | * | trans | 75 | 131.6 | 149 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 221 | M | 42.3 | Very low | 41 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 97% | 0.97 | 84% | 0.844 | S | S | * | * | trans | 83 | 118.1 | 138 | -44.1 | -146.1 | -170.1 | 0 | 0 | 119.7 | ||||
| 222 | R | 53.6 | Low | 41.3 | Very low | 240 Ų | 240 | 138.2 Ų | 138.2 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | trans | -87 | 154.4 | 155.4 | -105.3 | 177.4 | 163.4 | -149.6 | -3.7 | 108.4 | ||||
| 223 | P | 48.8 | Very low | 41.4 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | -153.7 | -156.3 | 65.2 | 47.2 | -24.1 | 0 | 0 | 0 | 114.9 | |||||
| 224 | P | 54.6 | Low | 41.2 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -100.4 | -158.2 | -135.1 | 36 | -11.5 | 0 | 0 | 0 | 113.2 | ||||
| 225 | P | 45.8 | Very low | 41 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | cis | -134.5 | -168.7 | -4.4 | 37.8 | -14.3 | 0 | 0 | 0 | 114.3 | ||||
| 226 | N | 42.4 | Very low | 40.8 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | 1.6 | 122.5 | 167.3 | -88.2 | 21.6 | 0 | 0 | 0 | 119.9 | ||||
| 227 | S | 36.8 | Very low | 41.3 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -137.3 | 133.4 | 154.9 | 65 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 228 | M | 38.8 | Very low | 41.4 | Very low | 198 Ų | 198 | 128.3 Ų | 128.3 | 98% | 0.975 | 82% | 0.816 | S | S | * | * | trans | -74.2 | 142.3 | -170.1 | -68.7 | 150.5 | 164.9 | 0 | 0 | 113.4 | ||||
| 229 | G | 34.6 | Very low | 41.8 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -106.8 | 142.2 | 158 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 230 | P | 46.6 | Very low | 41.9 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -89.3 | 134.5 | -163 | 33.5 | -32.9 | 0 | 0 | 0 | 113.8 | ||||
| 231 | G | 36 | Very low | 41.6 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | 172.6 | 84.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 232 | M | 44.5 | Very low | 41.4 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 68% | 0.675 | 82% | 0.822 | S | S | * | * | trans | -122.7 | 142.4 | 168.4 | -107.6 | -90 | -178 | 0 | 0 | 107.1 | G234 M235 | M232-G234 VanDerWaalsContact SD-CA 3.57Å; M232-M235 HydrophobicContact SD-SD 4.42Å | ||
| 233 | P | 42.1 | Very low | 40.6 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | -142.1 | 153.7 | 84.3 | 36.3 | -19.9 | 0 | 0 | 0 | 112.7 | |||||
| 234 | G | 35.8 | Very low | 40.3 | Very low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | cis | -158.2 | 163.3 | 8.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | M232 | M232-G234 VanDerWaalsContact SD-CA 3.57Š| ||
| 235 | M | 41.8 | Very low | 39.5 | Very low | 152 Ų | 152 | 132 Ų | 132 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | trans | -63.9 | 142.5 | -178.3 | -71.6 | 86.2 | 165.8 | 0 | 0 | 113.7 | M232 | M232-M235 HydrophobicContact SD-SD 4.42Š| ||
| 236 | N | 35.8 | Very low | 39.5 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -131.9 | 112.1 | 133.8 | -169 | 29.4 | 0 | 0 | 0 | 108.3 | ||||
| 237 | M | 42.3 | Very low | 39.1 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -82.6 | 133.5 | 173 | -82.3 | -179.2 | 169.5 | 0 | 0 | 109.6 | ||||
| 238 | G | 33.8 | Very low | 39.5 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -178.3 | 147.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 239 | P | 42.5 | Very low | 39.2 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | -106.3 | 154.4 | -127.5 | 37.1 | -32.6 | 0 | 0 | 0 | 115.6 | |||||
| 240 | G | 39.7 | Very low | 39.1 | Very low | 86 Ų | 86 | 131.1 Ų | 131.1 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | 64.2 | 113.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 241 | G | 34.8 | Very low | 38.7 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 173.9 | 99.9 | 164 | 0 | 0 | 0 | 0 | 0 | 112.8 | G243 | G241-G243 PolarHBondContact O-N 3.32Š| ||
| 242 | R | 38.5 | Very low | 38.7 | Very low | 252 Ų | 252 | 133.3 Ų | 133.3 | 95% | 0.951 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 118.9 | 170.6 | -68.3 | 169.2 | 171.7 | -107.9 | 0.5 | 108.7 | ||
| 243 | G | 36.3 | Very low | 38.5 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 135.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G241 | G241-G243 PolarHBondContact O-N 3.32Š|
| 244 | P | 43.6 | Very low | 38 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 146.3 | 175.7 | 30.1 | -30.7 | 0 | 0 | 0 | 111.1 | ||
| 245 | W | 36.4 | Very low | 37.7 | Very low | 242 Ų | 242 | 139.1 Ų | 139.1 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -43.4 | 149 | 179.7 | -65.2 | 84.9 | 0 | 0 | 0 | 115.4 | N247 | W245-N247 PolarHBondContact O-N 3Š| ||
| 246 | P | 45.9 | Very low | 37.2 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -74.6 | 121.6 | 178.8 | 29.8 | -31.6 | 0 | 0 | 0 | 111.2 | ||||
| 247 | N | 35.3 | Very low | 37.3 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -82.7 | 131.9 | 172.6 | -167.7 | 44.6 | 0 | 0 | 0 | 110.2 | W245 N249 | W245-N247 PolarHBondContact O-N 3Å; N247-N249 PolarHBondContact O-N 3.27Å | ||
| 248 | P | 43.7 | Very low | 36.8 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -90.4 | 80.7 | 177.2 | 35.1 | -29.9 | 0 | 0 | 0 | 110 | ||||
| 249 | N | 33.3 | Very low | 36.8 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -129.1 | 90.4 | 165.6 | -109.4 | 2.5 | 0 | 0 | 0 | 108.8 | N247 | N247-N249 PolarHBondContact O-N 3.27Š| ||
| 250 | N | 31.8 | Very low | 36.9 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -108.4 | 87.7 | 174.4 | -167 | -6.1 | 0 | 0 | 0 | 109.2 | S252 | N250-S252 PolarHBondContact OD1-N 3.4Š| ||
| 251 | N | 38.9 | Very low | 36.7 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 94% | 0.941 | 79% | 0.792 | S | S | * | * | trans | -118 | 80.6 | 152.4 | -93 | -28.4 | 0 | 0 | 0 | 106.4 | ||||
| 252 | S | 36.8 | Very low | 36.5 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | trans | -138.2 | 108.8 | 164.3 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | N250 A254 | N250-S252 PolarHBondContact OD1-N 3.4Å; S252-A254 PolarHBondContact O-N 3.43Å | ||
| 253 | I | 39.6 | Very low | 36.5 | Very low | 146 Ų | 146 | 136 Ų | 136 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -66 | 121.8 | 170.4 | -68 | 157.1 | 0 | 0 | 0 | 107.1 | Y255 | I253-Y255 HydrophobicContact CG2-CE2 4.34Å; I253-Y255 PolarHBondContact O-N 2.79Å | ||
| 254 | A | 31.7 | Very low | 36.5 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -65.6 | 111.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S252 | S252-A254 PolarHBondContact O-N 3.43Š| ||
| 255 | Y | 28.4 | Very low | 36.4 | Very low | 224 Ų | 224 | 136.3 Ų | 136.3 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -95.7 | 93.6 | 153.6 | -82.5 | -80.8 | 0 | 0 | 0 | 108.4 | I253 S257 | I253-Y255 HydrophobicContact CG2-CE2 4.34Å; I253-Y255 PolarHBondContact O-N 2.79Å; Y255-S257 PolarHBondContact O-N 3.3Å | ||
| 256 | S | 32.4 | Very low | 36.9 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -72.8 | 113.4 | 170.4 | -63.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 257 | S | 36.8 | Very low | 37 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 13.8 | 125.3 | 135.2 | 59.2 | 0 | 0 | 0 | 0 | 119.4 | Y255 | Y255-S257 PolarHBondContact O-N 3.3Š| ||
| 258 | S | 33.4 | Very low | 37.1 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -150.4 | 116.9 | 144.1 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 259 | S | 33.1 | Very low | 36.7 | Very low | 116 Ų | 116 | 127 Ų | 127 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -77.8 | -166.3 | 176.5 | -54 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 260 | P | 45.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 124 Ų | 124 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | -118 | 152.4 | -78.2 | 35.1 | -19.1 | 0 | 0 | 0 | 114 | |||||
| 261 | G | 34.9 | Very low | 37 | Very low | 80 Ų | 80 | 121 Ų | 121 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 53.2 | 117.1 | 150 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 262 | N | 30.4 | Very low | 37.6 | Very low | 168 Ų | 168 | 118.7 Ų | 118.7 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -154.7 | 140.3 | 139.5 | -152.9 | 25.8 | 0 | 0 | 0 | 112.2 | ||||
| 263 | Y | 38.5 | Very low | 38.2 | Very low | 216 Ų | 216 | 120 Ų | 120 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -56.6 | 151 | -179.2 | -110 | -113.1 | 0 | 0 | 0 | 114.2 | ||||
| 264 | V | 35.6 | Very low | 38.2 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | 148.5 | 102.8 | 138.6 | 169.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 265 | G | 42.9 | Very low | 38.7 | Very low | 67 Ų | 67 | 118.5 Ų | 118.5 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -79.6 | 164.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 266 | P | 47.2 | Very low | 39.3 | Very low | 124 Ų | 124 | 114.1 Ų | 114.1 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | -148.6 | -168.4 | 123 | 45.4 | -28.3 | 0 | 0 | 0 | 111.9 | |||||
| 267 | P | 47.5 | Very low | 40 | Very low | 121 Ų | 121 | 117 Ų | 117 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | -118.2 | 151.1 | -108.2 | 25 | -1.4 | 0 | 0 | 0 | 114.9 | |||||
| 268 | G | 37.2 | Very low | 40.2 | Very low | 88 Ų | 88 | 119.2 Ų | 119.2 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | 57.4 | 123.6 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 269 | G | 35.5 | Very low | 41 | Very low | 86 Ų | 86 | 118.6 Ų | 118.6 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | 153.4 | 110.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 270 | G | 34.7 | Very low | 41.2 | Very low | 84 Ų | 84 | 118.1 Ų | 118.1 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 103.2 | 107.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 271 | G | 35.7 | Very low | 41.3 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -78.2 | -157.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 272 | P | 52.5 | Low | 41.5 | Very low | 128 Ų | 128 | 117 Ų | 117 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | cis | -138.9 | -145.8 | 18.1 | 40.4 | -14.9 | 0 | 0 | 0 | 113.5 | ||||
| 273 | P | 49.2 | Very low | 42.2 | Very low | 120 Ų | 120 | 117.1 Ų | 117.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -123.1 | 160.1 | -108.5 | 36.5 | -16 | 0 | 0 | 0 | 116.3 | |||||
| 274 | G | 38.8 | Very low | 42.3 | Very low | 73 Ų | 73 | 112.1 Ų | 112.1 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | 90.4 | 91.9 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 275 | T | 42.2 | Very low | 43 | Very low | 125 Ų | 125 | 112.6 Ų | 112.6 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | -150.5 | 130.9 | 135.4 | 51.2 | 0 | 0 | 0 | 0 | 108.2 | I277 | T275-I277 PolarHBondContact O-N 3.49Š| ||
| 276 | P | 42 | Very low | 42.9 | Very low | 132 Ų | 132 | 116 Ų | 116 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -68.8 | 122.6 | 176.1 | 27.4 | -30.2 | 0 | 0 | 0 | 109.6 | M278 | P276-M278 PolarHBondContact O-N 3.17Š| ||
| 277 | I | 47.3 | Very low | 42.6 | Very low | 160 Ų | 160 | 113.2 Ų | 113.2 | 82% | 0.821 | 78% | 0.783 | S | S | * | * | trans | -65.6 | 111.3 | 172 | -62.5 | 173.8 | 0 | 0 | 0 | 107.2 | T275 | T275-I277 PolarHBondContact O-N 3.49Š| ||
| 278 | M | 39.4 | Very low | 42.8 | Very low | 153 Ų | 153 | 113.5 Ų | 113.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 129.3 | 164.8 | -116.5 | -178.6 | 65.8 | 0 | 0 | 108.2 | P276 S280 | P276-M278 PolarHBondContact O-N 3.17Å; M278-S280 PolarHBondContact O-N 3.3Å |
| 279 | P | 51.5 | Low | 43.6 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 126 | 169.8 | 26.4 | -30 | 0 | 0 | 0 | 108.3 | ||
| 280 | S | 37.6 | Very low | 44.3 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 131.7 | 167 | -58.4 | 0 | 0 | 0 | 0 | 109.6 | M278 G282 | M278-S280 PolarHBondContact O-N 3.3Å; S280-G282 PolarHBondContact O-N 3.18Å |
| 281 | P | 46.9 | Very low | 45.1 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | trans | -57.6 | 112.8 | 167.8 | -22.1 | 33.4 | 0 | 0 | 0 | 108.1 | ||||
| 282 | G | 39.5 | Very low | 45.5 | Very low | 57 Ų | 57 | 128 Ų | 128 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | trans | -59.7 | 151 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S280 S284 | S280-G282 PolarHBondContact O-N 3.18Å; G282-S284 PolarHBondContact O-N 3.25Å; G282-S284 VanDerWaalsContact O-N 3.15Å | ||
| 283 | D | 45.5 | Very low | 45.5 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | -40.7 | 117.1 | 163.7 | -57.9 | -67.2 | 0 | 0 | 0 | 110.5 | ||||
| 284 | S | 39 | Very low | 45.5 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -134.9 | 92.1 | 170 | -73.5 | 0 | 0 | 0 | 0 | 108.8 | G282 N286 | G282-S284 PolarHBondContact O-N 3.25Å; G282-S284 VanDerWaalsContact O-N 3.15Å; S284-N286 PolarHBondContact O-N 2.98Å; S284-N286 VanDerWaalsContact O-N 3.08Å | ||
| 285 | T | 50.4 | Low | 46 | Very low | 147 Ų | 147 | 134 Ų | 134 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -51.5 | 97.4 | 152.1 | 27.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 286 | N | 40.4 | Very low | 45.8 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -157.4 | 123.7 | 152.9 | -151.7 | -30.9 | 0 | 0 | 0 | 112.9 | S284 | S284-N286 PolarHBondContact O-N 2.98Å; S284-N286 VanDerWaalsContact O-N 3.08Å | ||
| 287 | S | 42.2 | Very low | 46.1 | Very low | 65 Ų | 65 | 133.2 Ų | 133.2 | 46% | 0.455 | 75% | 0.754 | S | S | . | * | trans | 60.1 | 105.4 | 149.6 | 47.5 | 0 | 0 | 0 | 0 | 122.5 | E289 | S287-E289 PolarHBondContact O-N 3.15Å; S287-E289 VanDerWaalsContact O-N 3.11Å | ||
| 288 | S | 51 | Low | 46.2 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -70.8 | 40.4 | 160.4 | 51.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 289 | E | 53.8 | Low | 46.3 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | -113.2 | -4.3 | -169.1 | -67.5 | 176.3 | 170.1 | 0 | 0 | 115.2 | S287 | S287-E289 PolarHBondContact O-N 3.15Å; S287-E289 VanDerWaalsContact O-N 3.11Å | ||
| 290 | N | 50.1 | Low | 46.1 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -97.4 | 2.9 | -171.9 | -80.7 | -38.3 | 0 | 0 | 0 | 116.8 | ||
| 291 | I | 52.8 | Low | 46.4 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -88.1 | -22.8 | -177.6 | -56.7 | -169.9 | 0 | 0 | 0 | 112.7 | ||
| 292 | Y | 44.3 | Very low | 46.1 | Very low | 220 Ų | 220 | 125 Ų | 125 | 86% | 0.863 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -89 | -9 | -179.8 | -79.7 | -78.1 | 0 | 0 | 0 | 115.3 | ||
| 293 | T | 52.1 | Low | 45.9 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 64% | 0.644 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -96.1 | -11.2 | -172.8 | -42.4 | 0 | 0 | 0 | 0 | 114.2 | M295 | T293-M295 VanDerWaalsContact C-N 3.29Å; T293-M295 PolarHBondContact O-N 3.08Å |
| 294 | M | 47.8 | Very low | 45.9 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -3.2 | -179.8 | -74.2 | -172.7 | -79.4 | 0 | 0 | 114.6 | ||
| 295 | M | 49.9 | Very low | 46 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 20.5 | -172.9 | -129.6 | 80.6 | 144 | 0 | 0 | 115.1 | T293 | T293-M295 VanDerWaalsContact C-N 3.29Å; T293-M295 PolarHBondContact O-N 3.08Å |
| 296 | N | 38.8 | Very low | 45.3 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 60% | 0.604 | 76% | 0.761 | S | S | * | * | trans | -134.5 | 120.2 | 176.7 | -157.4 | 39.9 | 0 | 0 | 0 | 111.7 | I298 | N296-I298 PolarHBondContact ND2-O 2.85Å; N296-I298 PolarHBondContact O-N 3.11Å; N296-I298 VanDerWaalsContact O-N 3.12Å | ||
| 297 | P | 47.8 | Very low | 44.9 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -79.9 | 17.9 | 179.4 | 31.5 | -31 | 0 | 0 | 0 | 113.8 | ||
| 298 | I | 50.3 | Low | 45.3 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | trans | -137.4 | 102.5 | -176.7 | -59.7 | 169.4 | 0 | 0 | 0 | 108.8 | N296 | N296-I298 PolarHBondContact ND2-O 2.85Å; N296-I298 PolarHBondContact O-N 3.11Å; N296-I298 VanDerWaalsContact O-N 3.12Å | ||
| 299 | G | 40.8 | Very low | 44.8 | Very low | 66 Ų | 66 | 141.8 Ų | 141.8 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 147.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 300 | P | 47.5 | Very low | 44 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 135.9 | 175.4 | 28.5 | -31.6 | 0 | 0 | 0 | 110.9 | ||
| 301 | G | 44 | Very low | 43.7 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 144.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 302 | G | 41.1 | Very low | 43.1 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 173.2 | 109.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 303 | N | 35.1 | Very low | 43.2 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | 72.4 | 96.5 | 164.4 | -70.1 | -15 | 0 | 0 | 0 | 120 | ||||
| 304 | R | 44.8 | Very low | 42.6 | Very low | 245 Ų | 245 | 132.4 Ų | 132.4 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 132.5 | 153.4 | -74.4 | -179.4 | 171.7 | -176.6 | -2.8 | 109.9 | ||
| 305 | P | 41.5 | Very low | 42.1 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 126.8 | 160.1 | -13.3 | 28.2 | 0 | 0 | 0 | 110.3 | ||
| 306 | N | 35.4 | Very low | 41.9 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 122.7 | 172.2 | 179.6 | 64.7 | 0 | 0 | 0 | 111.5 | ||
| 307 | F | 32.3 | Very low | 42.1 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | trans | -106.2 | 136.1 | 157.6 | -82.4 | -79.9 | 0 | 0 | 0 | 109 | ||||
| 308 | P | 50.6 | Low | 41.8 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 139.6 | -166.1 | 31.9 | -33.6 | 0 | 0 | 0 | 112.5 | G310 | P308-G310 PolarHBondContact O-N 3.38Š|
| 309 | M | 39.3 | Very low | 41.2 | Very low | 198 Ų | 198 | 124.2 Ų | 124.2 | 98% | 0.975 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 122 | 162.1 | -86.1 | -156.4 | -81.4 | 0 | 0 | 109.7 | ||
| 310 | G | 37.4 | Very low | 41.2 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 155.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112 | P308 | P308-G310 PolarHBondContact O-N 3.38Š|
| 311 | P | 44.6 | Very low | 40.6 | Very low | 132 Ų | 132 | 128 Ų | 128 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77 | 144.4 | -166.8 | 32.3 | -34.2 | 0 | 0 | 0 | 113 | ||
| 312 | G | 40.1 | Very low | 40.2 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 171 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 313 | P | 47.3 | Very low | 40.1 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | -143.5 | 149.3 | 124.7 | 35.5 | -18.8 | 0 | 0 | 0 | 115.2 | |||||
| 314 | D | 38.3 | Very low | 40 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | 76.7 | 104.2 | 147.5 | -53 | -29.1 | 0 | 0 | 0 | 123.2 | ||||
| 315 | G | 36.7 | Very low | 39.9 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 148.1 | 141.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 316 | P | 47.3 | Very low | 39.7 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -121.6 | 151.6 | -136.3 | 38.3 | -24.2 | 0 | 0 | 0 | 117.1 | ||||
| 317 | M | 42.9 | Very low | 40.3 | Very low | 189 Ų | 189 | 133 Ų | 133 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | trans | 156.2 | 108.6 | 145.3 | -96.1 | -173.2 | -102.6 | 0 | 0 | 107.8 | ||||
| 318 | G | 40.7 | Very low | 40.6 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | 96.3 | 127.3 | 74 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 319 | G | 37.6 | Very low | 40 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | cis | 177 | 165.7 | 1.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 320 | M | 40.9 | Very low | 39.8 | Very low | 207 Ų | 207 | 129.5 Ų | 129.5 | 100% | 1.02 | 81% | 0.807 | S | S | * | * | trans | 75.7 | 128.6 | 172.9 | -53.6 | 172.5 | 166.4 | 0 | 0 | 115.1 | ||||
| 321 | G | 35.4 | Very low | 39.8 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | cis | 146.2 | 102.8 | 16 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 322 | A | 35.3 | Very low | 39.8 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | 74.1 | 126.3 | 118.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 323 | M | 38.6 | Very low | 39.5 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | trans | 101.9 | 100.1 | 137.7 | -143.1 | 149.8 | -169.7 | 0 | 0 | 119.8 | ||||
| 324 | E | 32.4 | Very low | 39.2 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | trans | 58.1 | 138.4 | 131.3 | -72 | -178 | 128.3 | 0 | 0 | 123.8 | ||||
| 325 | Q | 43.3 | Very low | 39.3 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -72.8 | 122.9 | 169.9 | -64.5 | 174.3 | -5.5 | 0 | 0 | 110.8 | ||||
| 326 | H | 37.7 | Very low | 39.9 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -148.2 | 136.2 | 155.5 | -75.5 | -63.2 | 0 | 0 | 0 | 112.5 | ||||
| 327 | H | 47.9 | Very low | 40.2 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -75.4 | 133 | 175.9 | -64.3 | -127.6 | 0 | 0 | 0 | 110 | ||||
| 328 | M | 38.8 | Very low | 40.5 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | trans | -146.3 | 128.5 | 164.5 | -147.1 | 75.2 | 176.8 | 0 | 0 | 111.4 | ||||
| 329 | N | 37.9 | Very low | 40.3 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -68 | 139.8 | 172.7 | 174.1 | 27.1 | 0 | 0 | 0 | 112.2 | ||||
| 330 | G | 35.1 | Very low | 40.6 | Very low | 63 Ų | 63 | 140.5 Ų | 140.5 | 65% | 0.649 | 83% | 0.829 | S | S | * | * | trans | 118.9 | 128.8 | 138.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 331 | S | 36.4 | Very low | 41.1 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | 109.7 | 110.4 | 134.6 | -150.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 332 | L | 45.4 | Very low | 41.3 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | 169.8 | 122.8 | 103 | -82.4 | 172.2 | 0 | 0 | 0 | 109.9 | |||||
| 333 | G | 33.4 | Very low | 41.3 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -96.4 | -179.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 334 | S | 40.8 | Very low | 41.5 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | 178.5 | 129.7 | 138.8 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 335 | G | 40.9 | Very low | 42.3 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | 133.8 | 58.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 336 | D | 48.6 | Very low | 42 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -71.9 | 135.1 | 160.2 | -59.2 | -76.6 | 0 | 0 | 0 | 111.1 | ||||
| 337 | M | 54.4 | Low | 42.1 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 93% | 0.931 | 82% | 0.82 | S | S | * | * | trans | -152.5 | 109.8 | 155.9 | -101.7 | -79.9 | -156.5 | 0 | 0 | 108.7 | ||||
| 338 | D | 48.3 | Very low | 41.6 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -57 | 156.6 | 179.9 | -64.2 | -84.2 | 0 | 0 | 0 | 116 | ||||
| 339 | G | 36.3 | Very low | 41.5 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 150.5 | 92.2 | 144.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 340 | L | 44.9 | Very low | 42.1 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | 99.9 | 144.9 | 148.1 | -59.6 | 171.5 | 0 | 0 | 0 | 120.1 | ||||
| 341 | P | 50.6 | Low | 42.4 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | trans | -105.3 | 150 | -140.8 | 37.6 | -30.5 | 0 | 0 | 0 | 114.3 | N343 | P341-N343 PolarHBondContact O-N 3.12Å; P341-N343 VanDerWaalsContact O-N 3.17Å | ||
| 342 | K | 40.3 | Very low | 42.4 | Very low | 215 Ų | 215 | 137.8 Ų | 137.8 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | trans | -72.5 | 99.8 | 162 | -72 | -177.5 | 177.9 | 177.7 | 0 | 108.9 | ||||
| 343 | N | 34.4 | Very low | 42.1 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -83.4 | 117.8 | 170.2 | -122.8 | -31.3 | 0 | 0 | 0 | 109.8 | P341 | P341-N343 PolarHBondContact O-N 3.12Å; P341-N343 VanDerWaalsContact O-N 3.17Å | ||
| 344 | S | 42.6 | Very low | 43 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | trans | -67.6 | 174.1 | 154.4 | -66.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 345 | P | 50.1 | Low | 43.3 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | -143.4 | 131.7 | 102.8 | 33.1 | -17.2 | 0 | 0 | 0 | 113.1 | |||||
| 346 | N | 37.7 | Very low | 43.1 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -149 | 93.3 | 137.1 | -115.7 | 23.8 | 0 | 0 | 0 | 109.1 | ||||
| 347 | N | 38.1 | Very low | 43 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | trans | -61 | 150 | 153.2 | -131.3 | 9.1 | 0 | 0 | 0 | 107.1 | ||||
| 348 | M | 38.3 | Very low | 42.7 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | cis | -174.8 | 159.1 | 19.6 | -173.8 | 148.7 | 166.2 | 0 | 0 | 108 | ||||
| 349 | A | 37.2 | Very low | 42.4 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | 81.3 | 96.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 350 | G | 49.3 | Very low | 42.7 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | 70.5 | 89.2 | 110.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 351 | M | 41.4 | Very low | 42.5 | Very low | 196 Ų | 196 | 140.4 Ų | 140.4 | 97% | 0.966 | 81% | 0.806 | S | S | * | * | trans | -167.8 | 84.2 | 147.8 | -99.7 | 137.2 | 170.2 | 0 | 0 | 109.5 | ||||
| 352 | N | 36.5 | Very low | 41.8 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -105.1 | 110.9 | 159.7 | -97.6 | -54.5 | 0 | 0 | 0 | 106.8 | ||||
| 353 | N | 41 | Very low | 41.9 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -131.6 | 123.5 | 161.4 | -143.5 | 45.7 | 0 | 0 | 0 | 107.7 | ||||
| 354 | P | 52 | Low | 42.1 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | trans | -79 | 161.2 | 177.2 | 32.5 | -32.3 | 0 | 0 | 0 | 111.3 | G356 | P354-G356 PolarHBondContact O-N 3.05Š| ||
| 355 | P | 45.8 | Very low | 41.8 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 93% | 0.929 | 82% | 0.817 | S | S | * | * | trans | -79.1 | 113.1 | -177.3 | 31.1 | -30.3 | 0 | 0 | 0 | 110.2 | ||||
| 356 | G | 38 | Very low | 41.1 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -143.3 | 125.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | P354 | P354-G356 PolarHBondContact O-N 3.05Š| ||
| 357 | T | 46.1 | Very low | 41 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | trans | -73.7 | 143.3 | 171.9 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 358 | P | 47.3 | Very low | 40.8 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | -139.1 | 132.3 | 128.2 | 24 | -3.9 | 0 | 0 | 0 | 111.3 | |||||
| 359 | R | 41.6 | Very low | 40.9 | Very low | 243 Ų | 243 | 137.4 Ų | 137.4 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | 72.3 | 127.3 | 84.5 | -159.9 | 168 | -176.5 | 145.4 | -1 | 113.3 | |||||
| 360 | D | 44.3 | Very low | 40.8 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -51.9 | 175.6 | -175.7 | -139.6 | -75 | 0 | 0 | 0 | 117 | ||||
| 361 | D | 40.8 | Very low | 40.5 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | 100.3 | 118.3 | 163.9 | -57.3 | -56.8 | 0 | 0 | 0 | 119.7 | ||||
| 362 | G | 35.5 | Very low | 40.3 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | trans | 123.4 | 73.3 | 134.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 363 | E | 42.1 | Very low | 40.3 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | 19 | 132.8 | 136 | 67.2 | -159 | 130.1 | 0 | 0 | 122.9 | ||||
| 364 | M | 39.1 | Very low | 40.1 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | 126.2 | 126.3 | 126.3 | -145.8 | 172.7 | -153.7 | 0 | 0 | 117.3 | |||||
| 365 | A | 35.4 | Very low | 39.4 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | trans | 101.6 | 111.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 366 | G | 35.5 | Very low | 39.1 | Very low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | cis | 132.6 | 112.7 | 14.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 367 | N | 35.9 | Very low | 39.1 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | 62.4 | 131.3 | 163.5 | -57.4 | -16.6 | 0 | 0 | 0 | 116.5 | ||||
| 368 | F | 34.2 | Very low | 38.6 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | -162.2 | 137.1 | 59.7 | -87.9 | -94.5 | 0 | 0 | 0 | 111.9 | |||||
| 369 | L | 39.5 | Very low | 38.9 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | 74.7 | 99.6 | 143.1 | -66 | 162.4 | 0 | 0 | 0 | 121.4 | ||||
| 370 | N | 35.8 | Very low | 38.7 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -54.3 | 147.5 | 146.5 | -84.2 | -33.4 | 0 | 0 | 0 | 112.8 | ||||
| 371 | P | 43.8 | Very low | 38.7 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -124.6 | 81.7 | 142.6 | 34.1 | -19.9 | 0 | 0 | 0 | 110.6 | ||||
| 372 | F | 35.4 | Very low | 39.2 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | -106.3 | 93.7 | 148.7 | -82 | -78.8 | 0 | 0 | 0 | 107 | ||||
| 373 | Q | 37.8 | Very low | 39.4 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -117.9 | 101.7 | 157.7 | -70.9 | -163.5 | -16.8 | 0 | 0 | 104.4 | ||||
| 374 | S | 37 | Very low | 39.6 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | 60.8 | 84.9 | 91.8 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 375 | E | 37 | Very low | 40 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | trans | -148.7 | 104 | 150.6 | -108.6 | 145.2 | 134.2 | 0 | 0 | 111.2 | ||||
| 376 | S | 38.1 | Very low | 40.3 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -56.8 | 123.4 | 163.7 | -49.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 377 | Y | 38.8 | Very low | 40.5 | Very low | 223 Ų | 223 | 155.7 Ų | 155.7 | 88% | 0.875 | 84% | 0.841 | S | S | * | * | trans | -129.4 | 106 | 161.7 | -118.7 | -90.8 | 0 | 0 | 0 | 109.9 | ||||
| 378 | S | 36 | Very low | 40.8 | Very low | 101 Ų | 101 | 156.2 Ų | 156.2 | 71% | 0.706 | 84% | 0.844 | S | S | * | * | trans | -75.3 | 143.7 | 168.2 | -61.4 | 0 | 0 | 0 | 0 | 110.2 | N380 | S378-N380 PolarHBondContact O-N 3.06Š| ||
| 379 | P | 52.4 | Low | 41.2 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 84% | 0.844 | 85% | 0.847 | S | S | * | * | trans | -80.2 | 109.7 | 168.6 | 30.9 | -27.8 | 0 | 0 | 0 | 109 | ||||
| 380 | N | 39.3 | Very low | 41.3 | Very low | 157 Ų | 157 | 154.6 Ų | 154.6 | 84% | 0.84 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 120.3 | 172.6 | -151.1 | -27.1 | 0 | 0 | 0 | 108.9 | S378 T382 | S378-N380 PolarHBondContact O-N 3.06Å; N380-T382 PolarHBondContact O-N 3.38Å |
| 381 | M | 43.8 | Very low | 41.6 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 91% | 0.906 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116 | 171.3 | -83.4 | 154.5 | 144.3 | 0 | 0 | 109.5 | ||
| 382 | T | 50.6 | Low | 41.5 | Very low | 127 Ų | 127 | 157.9 Ų | 157.9 | 78% | 0.779 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 116.1 | 165.2 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | N380 | N380-T382 PolarHBondContact O-N 3.38Š|
| 383 | M | 40.2 | Very low | 41.9 | Very low | 180 Ų | 180 | 154.8 Ų | 154.8 | 89% | 0.887 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.9 | 162.4 | -80.6 | -81.3 | -167.6 | 0 | 0 | 108.5 | ||
| 384 | S | 46.9 | Very low | 42.3 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 81% | 0.811 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 140.4 | 163.2 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 385 | V | 47.3 | Very low | 42.8 | Very low | 217 Ų | 217 | 157.9 Ų | 157.9 | 100% | 1.315 | 88% | 0.878 | S | S | * | * | trans | -63.2 | 0 | -173.7 | -179.3 | 0 | 0 | 0 | 0 | 113.1 |
Retrieved 385 of 385 residues in 539.3 ms
(Link to these results)