| 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 | 47.3 | Very low | 62.4 | Low | 247 Ų | 247 | 131.8 Ų | 131.8 | 100% | 1.217 | 66% | 0.661 | S | S | * | * | 0 | 111 | 0 | -72.5 | 165.5 | 80.8 | 0 | 0 | 106.9 | |||||
| 2 | D | 48.6 | Very low | 63.1 | Low | 123 Ų | 123 | 131.1 Ų | 131.1 | 66% | 0.658 | 65% | 0.651 | S | S | * | * | trans | -83.2 | 155.1 | -160 | -132.8 | -54.9 | 0 | 0 | 0 | 113.1 | K4 | D2-K4 VanDerWaalsContact C-N 3.29Å; D2-K4 PolarHBondContact O-N 3.49Å | ||
| 3 | K | 58.7 | Low | 63.7 | Low | 174 Ų | 174 | 128.2 Ų | 128.2 | 76% | 0.757 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -82.3 | -6.6 | -179.3 | -82.5 | -178.9 | 177.5 | 175.8 | 0 | 113.2 | ||
| 4 | K | 59.4 | Low | 64 | Low | 172 Ų | 172 | 126.5 Ų | 126.5 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -79.5 | -21.2 | -172.3 | -88.5 | -178.4 | 172.1 | 177.8 | 0 | 116.2 | D2 P7 | D2-K4 VanDerWaalsContact C-N 3.29Å; D2-K4 PolarHBondContact O-N 3.49Å; K4-P7 WeakPolarHBondContact O-CD 3.32Å |
| 5 | D | 58.4 | Low | 63.9 | Low | 99 Ų | 99 | 124.9 Ų | 124.9 | 53% | 0.529 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -85 | -16.8 | -173.8 | -52.3 | -41.3 | 0 | 0 | 0 | 113.4 | L8 I9 | D5-L8 PolarHBondContact O-N 3.35Å; D5-I9 HydrophobicContact CB-CD1 4.29Å; D5-I9 WeakPolarHBondContact O-CG1 3.41Å; D5-I9 PolarHBondContact O-N 3.3Å; D5-I9 VanDerWaalsContact O-N 3.11Å |
| 6 | K | 60.7 | Low | 63.7 | Low | 141 Ų | 141 | 125.3 Ų | 125.3 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -55.6 | -46.4 | -178.2 | -62.2 | -172.4 | 176.3 | -166.5 | 0 | 115.3 | L8 L10 | K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 3.01Å; K6-L10 PolarHBondContact O-N 2.89Å; K6-L10 VanDerWaalsContact O-N 3.07Å |
| 7 | P | 68.5 | Low | 63.4 | Low | 81 Ų | 81 | 124.6 Ų | 124.6 | 53% | 0.526 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.2 | -33.2 | 177.8 | 26.3 | -35.7 | 0 | 0 | 0 | 112.7 | K4 L10 V11 | K4-P7 WeakPolarHBondContact O-CD 3.32Å; P7-L10 PolarHBondContact O-N 3.47Å; P7-V11 WeakPolarHBondContact O-CG2 3.3Å; P7-V11 PolarHBondContact O-N 3.21Å |
| 8 | L | 66.8 | Low | 62.8 | Low | 127 Ų | 127 | 121.4 Ų | 121.4 | 67% | 0.665 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.8 | -43.4 | 179.1 | -151.2 | 90 | 0 | 0 | 0 | 110.9 | D5 K6 L10 V11 F12 | D5-L8 PolarHBondContact O-N 3.35Å; K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 3.01Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.34Å; L8-V11 PolarHBondContact O-N 3.44Å; L8-F12 PolarHBondContact O-N 3.11Å |
| 9 | I | 72.7 | Confident | 62 | Low | 98 Ų | 98 | 122.8 Ų | 122.8 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.2 | -38.8 | 174.7 | -65.6 | 164.1 | 0 | 0 | 0 | 111 | D5 F12 L13 | D5-I9 HydrophobicContact CB-CD1 4.29Å; D5-I9 WeakPolarHBondContact O-CG1 3.41Å; D5-I9 PolarHBondContact O-N 3.3Å; D5-I9 VanDerWaalsContact O-N 3.11Å; I9-F12 PolarHBondContact O-N 2.91Å; I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CB 3.36Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3.1Å |
| 10 | L | 70.8 | Confident | 61.3 | Low | 105 Ų | 105 | 122.4 Ų | 122.4 | 55% | 0.55 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.3 | -43.1 | 177.1 | -165.1 | 78.6 | 0 | 0 | 0 | 112.1 | K6 P7 L8 L13 I14 | K6-L10 PolarHBondContact O-N 2.89Å; K6-L10 VanDerWaalsContact O-N 3.07Å; P7-L10 PolarHBondContact O-N 3.47Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.34Å; L10-L13 PolarHBondContact O-N 3.07Å; L10-I14 HydrophobicContact CD2-CD1 4.46Å; L10-I14 HydrophobicContact CG-CD1 4.14Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.5Å |
| 11 | V | 74.9 | Confident | 60.8 | Low | 83 Ų | 83 | 121.4 Ų | 121.4 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.4 | -41.1 | 175.8 | 172 | 0 | 0 | 0 | 0 | 111 | P7 L8 I14 L15 | P7-V11 WeakPolarHBondContact O-CG2 3.3Å; P7-V11 PolarHBondContact O-N 3.21Å; L8-V11 PolarHBondContact O-N 3.44Å; V11-I14 PolarHBondContact O-N 3.29Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 WeakPolarHBondContact O-CG 3.39Å; V11-L15 PolarHBondContact O-N 2.78Å |
| 12 | F | 70.8 | Confident | 61.2 | Low | 123 Ų | 123 | 112 Ų | 112 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58.7 | -48 | 171.6 | -115.7 | -105.9 | 0 | 0 | 0 | 111.3 | L8 I9 I14 L15 F16 | L8-F12 PolarHBondContact O-N 3.11Å; I9-F12 PolarHBondContact O-N 2.91Å; F12-I14 VanDerWaalsContact C-N 3.35Å; F12-I14 PolarHBondContact O-N 3.46Å; F12-L15 PolarHBondContact O-N 2.88Å; F12-F16 AromaticContact CD1-CD2 3.92Å; F12-F16 HydrophobicContact CD1-CD2 3.92Å; F12-F16 AromaticContact CD1-CE2 3.61Å; F12-F16 HydrophobicContact CD1-CE2 3.61Å; F12-F16 HydrophobicContact CE1-CD2 4.5Å; F12-F16 AromaticContact CE1-CE2 3.77Å; F12-F16 HydrophobicContact CE1-CE2 3.77Å; F12-F16 WeakPolarHBondContact O-CB 3.13Å; F12-F16 WeakPolarHBondContact O-CD2 3.13Å; F12-F16 PolarHBondContact O-N 3.41Å |
| 13 | L | 69.8 | Low | 61.9 | Low | 93 Ų | 93 | 111.9 Ų | 111.9 | 49% | 0.487 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60 | -41.3 | 176.6 | -83.7 | 164 | 0 | 0 | 0 | 112.4 | I9 L10 F16 I17 | I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CB 3.36Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3.1Å; L10-L13 PolarHBondContact O-N 3.07Å; L13-F16 PolarHBondContact O-N 3.31Å; L13-I17 VanDerWaalsContact O-CB 3.31Å; L13-I17 WeakPolarHBondContact O-CB 3.31Å; L13-I17 WeakPolarHBondContact O-CD1 3.37Å; L13-I17 WeakPolarHBondContact O-CG1 3.49Å; L13-I17 PolarHBondContact O-N 2.87Å |
| 14 | I | 67.9 | Low | 62.6 | Low | 105 Ų | 105 | 107.9 Ų | 107.9 | 54% | 0.538 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66 | -39.9 | 177.4 | -68.9 | 163.5 | 0 | 0 | 0 | 111.3 | L10 V11 F12 I17 G18 | L10-I14 HydrophobicContact CD2-CD1 4.46Å; L10-I14 HydrophobicContact CG-CD1 4.14Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.5Å; V11-I14 PolarHBondContact O-N 3.29Å; F12-I14 VanDerWaalsContact C-N 3.35Å; F12-I14 PolarHBondContact O-N 3.46Å; I14-I17 PolarHBondContact O-N 3.46Å; I14-G18 PolarHBondContact O-N 3.35Å |
| 15 | L | 63.4 | Low | 63.9 | Low | 103 Ų | 103 | 100.1 Ų | 100.1 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.6 | -39.6 | 173.7 | -71.7 | 167.1 | 0 | 0 | 0 | 112 | V11 F12 H19 | V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 WeakPolarHBondContact O-CG 3.39Å; V11-L15 PolarHBondContact O-N 2.78Å; F12-L15 PolarHBondContact O-N 2.88Å; L15-H19 PolarHBondContact O-CD2 2.85Å; L15-H19 PolarHBondContact O-N 3.31Å; L15-H19 VanDerWaalsContact O-N 3.1Å |
| 16 | F | 60.1 | Low | 65.4 | Low | 131 Ų | 131 | 97.5 Ų | 97.5 | 58% | 0.575 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.3 | -37.6 | 175.4 | -92.3 | -87.7 | 0 | 0 | 0 | 112.8 | F12 L13 H19 V20 | F12-F16 AromaticContact CD1-CD2 3.92Å; F12-F16 HydrophobicContact CD1-CD2 3.92Å; F12-F16 AromaticContact CD1-CE2 3.61Å; F12-F16 HydrophobicContact CD1-CE2 3.61Å; F12-F16 HydrophobicContact CE1-CD2 4.5Å; F12-F16 AromaticContact CE1-CE2 3.77Å; F12-F16 HydrophobicContact CE1-CE2 3.77Å; F12-F16 WeakPolarHBondContact O-CB 3.13Å; F12-F16 WeakPolarHBondContact O-CD2 3.13Å; F12-F16 PolarHBondContact O-N 3.41Å; L13-F16 PolarHBondContact O-N 3.31Å; F16-H19 CarbonylContact O-C 3.57Å; F16-H19 WeakPolarHBondContact O-CA 3.47Å; F16-H19 PolarHBondContact O-N 3.24Å; F16-H19 VanDerWaalsContact O-N 3.11Å; F16-V20 PolarHBondContact O-N 3.1Å; F16-V20 VanDerWaalsContact O-N 3.09Å |
| 17 | I | 58.3 | Low | 66.8 | Low | 113 Ų | 113 | 93.5 Ų | 93.5 | 58% | 0.579 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.7 | -39.2 | 174.5 | -69.1 | 161.8 | 0 | 0 | 0 | 110.4 | L13 I14 H19 V20 | L13-I17 VanDerWaalsContact O-CB 3.31Å; L13-I17 WeakPolarHBondContact O-CB 3.31Å; L13-I17 WeakPolarHBondContact O-CD1 3.37Å; L13-I17 WeakPolarHBondContact O-CG1 3.49Å; L13-I17 PolarHBondContact O-N 2.87Å; I14-I17 PolarHBondContact O-N 3.46Å; I17-H19 PolarHBondContact O-N 2.94Å; I17-V20 WeakPolarHBondContact O-CB 3.35Å; I17-V20 PolarHBondContact O-N 3.11Å; I17-V20 VanDerWaalsContact O-N 3.1Å |
| 18 | G | 52.8 | Low | 68 | Low | 68 Ų | 68 | 89.7 Ų | 89.7 | 70% | 0.701 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.1 | -18.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I14 | I14-G18 PolarHBondContact O-N 3.35Å |
| 19 | H | 48.2 | Very low | 69.3 | Low | 148 Ų | 148 | 88.1 Ų | 88.1 | 69% | 0.685 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 7.1 | 172.3 | -86.7 | -62.8 | 0 | 0 | 0 | 114.2 | L15 F16 I17 S21 | L15-H19 PolarHBondContact O-CD2 2.85Å; L15-H19 PolarHBondContact O-N 3.31Å; L15-H19 VanDerWaalsContact O-N 3.1Å; F16-H19 CarbonylContact O-C 3.57Å; F16-H19 WeakPolarHBondContact O-CA 3.47Å; F16-H19 PolarHBondContact O-N 3.24Å; F16-H19 VanDerWaalsContact O-N 3.11Å; I17-H19 PolarHBondContact O-N 2.94Å; H19-S21 PolarHBondContact O-N 2.96Å |
| 20 | V | 48.1 | Very low | 70.2 | Confident | 113 Ų | 113 | 87.6 Ų | 87.6 | 69% | 0.685 | 51% | 0.506 | S | S | * | . | trans | -71.6 | 84.2 | 163.8 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | F16 I17 G22 | F16-V20 PolarHBondContact O-N 3.1Å; F16-V20 VanDerWaalsContact O-N 3.09Å; I17-V20 WeakPolarHBondContact O-CB 3.35Å; I17-V20 PolarHBondContact O-N 3.11Å; I17-V20 VanDerWaalsContact O-N 3.1Å; V20-G22 PolarHBondContact O-N 3.33Å | ||
| 21 | S | 50.8 | Low | 71.4 | Confident | 102 Ų | 102 | 83 Ų | 83 | 71% | 0.713 | 48% | 0.483 | S | S | * | . | trans | -48.8 | 134.9 | 176 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | H19 | H19-S21 PolarHBondContact O-N 2.96Š| ||
| 22 | G | 56.3 | Low | 72.3 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | trans | -48.4 | 143.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | V20 A24 | V20-G22 PolarHBondContact O-N 3.33Å; G22-A24 PolarHBondContact O-N 2.85Å | ||
| 23 | T | 62.3 | Low | 73.3 | Confident | 119 Ų | 119 | 78 Ų | 78 | 73% | 0.73 | 46% | 0.458 | S | S | * | . | trans | -52.2 | 99.6 | -175.8 | 45.1 | 0 | 0 | 0 | 0 | 110.7 | I25 Q109 | T23-I25 PolarHBondContact O-N 2.92Å; T23-I25 VanDerWaalsContact O-N 3.07Å; T23-Q109 PolarHBondContact O-OE1 3.06Å | ||
| 24 | A | 74 | Confident | 74.4 | Confident | 90 Ų | 90 | 80 Ų | 80 | 74% | 0.744 | 46% | 0.46 | S | S | * | . | trans | -61.3 | 115.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G22 | G22-A24 PolarHBondContact O-N 2.85Š| ||
| 25 | I | 86.2 | Confident | 75.5 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 5% | 0.051 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 127.3 | -178.5 | -58.8 | -177.9 | 0 | 0 | 0 | 109.3 | T23 L104 E106 Q109 S111 | T23-I25 PolarHBondContact O-N 2.92Å; T23-I25 VanDerWaalsContact O-N 3.07Å; I25-L104 HydrophobicContact CG2-CB 3.99Å; I25-L104 HydrophobicContact CG2-CD2 3.77Å; I25-L104 HydrophobicContact CG2-CG 3.8Å; I25-E106 HydrophobicContact CD1-CB 3.56Å; I25-Q109 VanDerWaalsContact CD1-C 3.46Å; I25-Q109 HydrophobicContact CD1-CB 3.64Å; I25-Q109 WeakPolarHBondContact CD1-O 3.27Å; I25-Q109 HydrophobicContact CG1-CB 4.05Å; I25-S111 WeakPolarHBondContact O-CA 3.37Å; I25-S111 VanDerWaalsContact O-CB 3.23Å; I25-S111 WeakPolarHBondContact O-CB 3.27Å |
| 26 | P | 89.4 | Confident | 76.7 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 28% | 0.279 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 137.7 | 179.3 | 26.5 | -34.2 | 0 | 0 | 0 | 110.7 | P47 | P26-P47 HydrophobicContact CB-CB 3.63Å; P26-P47 HydrophobicContact CB-CG 4.1Å; P26-P47 HydrophobicContact CG-CB 3.62Å; P26-P47 HydrophobicContact CG-CG 3.7Å |
| 27 | P | 91.4 | Very high | 77.6 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 157.2 | 179.9 | 31.1 | -36 | 0 | 0 | 0 | 112.1 | K112 | P27-K112 WeakPolarHBondContact CB-O 3.32Š|
| 28 | P | 93.2 | Very high | 78.4 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.013 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 143.4 | 173.7 | -21.5 | 29.8 | 0 | 0 | 0 | 112.7 | V31 W44 Y56 V102 | P28-V31 HydrophobicContact CB-CG2 4.34Å; P28-W44 HydrophobicContact CB-CB 4.25Å; P28-W44 HydrophobicContact CB-CG 4.25Å; P28-Y56 HydrophobicContact CB-CE1 4.31Å; P28-Y56 HydrophobicContact CG-CD1 4.1Å; P28-Y56 HydrophobicContact CG-CE1 3.93Å; P28-V102 HydrophobicContact CB-CG1 4.38Å; P28-V102 HydrophobicContact CG-CB 4.15Å; P28-V102 HydrophobicContact CG-CG1 3.83Å |
| 29 | R | 93.4 | Very high | 80.1 | Confident | 93 Ų | 93 | 65.9 Ų | 65.9 | 35% | 0.351 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 162.3 | 177.2 | -62.3 | -165 | -64.5 | 178 | -2.7 | 111.1 | V31 E45 N46 E48 | R29-V31 VanDerWaalsContact C-N 3.33Å; R29-V31 PolarHBondContact O-N 2.83Å; R29-V31 VanDerWaalsContact O-N 3.08Å; R29-E45 HydrophobicContact CB-CB 4.01Å; R29-E45 PolarHBondContact N-O 3.11Å; R29-E45 PolarHBondContact O-N 3.24Å; R29-N46 PolarHBondContact NE-O 2.77Å; R29-N46 PolarHBondContact NH2-O 3.43Å; R29-E48 VanDerWaalsContact CZ-CG 3.47Å; R29-E48 IonicContact CZ-OE1 3.92Å; R29-E48 VanDerWaalsContact NH1-CD 3.33Å; R29-E48 VanDerWaalsContact NH1-CG 3.34Å; R29-E48 IonicContact NH1-OE1 2.76Å; R29-E48 PolarHBondContact NH1-OE1 3.01Å; R29-E48 VanDerWaalsContact NH2-CG 3.28Å; R29-E48 IonicContact NH2-OE1 2.68Å |
| 30 | N | 92.8 | Very high | 82.1 | Confident | 87 Ų | 87 | 58.9 Ų | 58.9 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 42 | 50.3 | 169.8 | -62.1 | -6.2 | 0 | 0 | 0 | 115.7 | N32 E45 | N30-N32 PolarHBondContact O-N 3.07Å; N30-N32 VanDerWaalsContact O-N 3.11Å; N30-E45 HydrophobicContact CB-CB 4.42Å; N30-E45 HydrophobicContact CB-CG 4.14Å; N30-E45 WeakPolarHBondContact CB-OE1 3.5Å; N30-E45 PolarHBondContact ND2-OE1 2.68Å; N30-E45 PolarHBondContact ND2-OE2 3.39Å |
| 31 | V | 94.6 | Very high | 84.3 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 107 | 176.2 | -180 | 0 | 0 | 0 | 0 | 110 | P28 R29 L42 H43 W44 V102 K114 K116 | P28-V31 HydrophobicContact CB-CG2 4.34Å; R29-V31 VanDerWaalsContact C-N 3.33Å; R29-V31 PolarHBondContact O-N 2.83Å; R29-V31 VanDerWaalsContact O-N 3.08Å; V31-L42 HydrophobicContact CG1-CD1 3.74Å; V31-H43 WeakPolarHBondContact CA-O 3.34Å; V31-W44 HydrophobicContact CG2-CB 3.89Å; V31-V102 HydrophobicContact CG1-CG2 4.29Å; V31-V102 HydrophobicContact CG2-CG2 4.47Å; V31-K114 HydrophobicContact CB-CG 4.15Å; V31-K114 HydrophobicContact CG2-CB 3.94Å; V31-K114 HydrophobicContact CG2-CG 3.44Å; V31-K114 VanDerWaalsContact CG2-CG 3.44Å; V31-K116 HydrophobicContact CG1-CB 4.15Å |
| 32 | N | 94.4 | Very high | 86.4 | Confident | 68 Ų | 68 | 51.4 Ų | 51.4 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 155.5 | -178.1 | -70.1 | -30.4 | 0 | 0 | 0 | 110.3 | N30 H43 | N30-N32 PolarHBondContact O-N 3.07Å; N30-N32 VanDerWaalsContact O-N 3.11Å; N32-H43 PolarHBondContact N-O 2.85Å; N32-H43 PolarHBondContact O-N 3.06Å |
| 33 | L | 93 | Very high | 88.4 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.1 | 171.2 | -69.6 | 93.5 | 0 | 0 | 0 | 109.6 | I35 V40 I41 L42 L84 V100 K116 F118 | L33-I35 HydrophobicContact CB-CG1 4.46Å; L33-V40 HydrophobicContact CD2-CG1 3.73Å; L33-I41 WeakPolarHBondContact CA-O 3.42Å; L33-L42 HydrophobicContact CD1-CD1 3.97Å; L33-L42 HydrophobicContact CD2-CD1 4.36Å; L33-L42 HydrophobicContact CG-CD1 3.78Å; L33-L84 HydrophobicContact CD2-CD1 4.47Å; L33-V100 HydrophobicContact CD1-CG1 4Å; L33-V100 HydrophobicContact CD2-CG1 4.16Å; L33-V100 HydrophobicContact CG-CG1 4.48Å; L33-K116 HydrophobicContact CD1-CB 4.01Å; L33-K116 HydrophobicContact CD1-CG 3.34Å; L33-F118 HydrophobicContact CD1-CD1 4.42Å; L33-F118 HydrophobicContact CD2-CB 4.15Å; L33-F118 HydrophobicContact CD2-CD1 3.42Å; L33-F118 VanDerWaalsContact CD2-CD1 3.42Å; L33-F118 HydrophobicContact CD2-CD2 4.12Å; L33-F118 HydrophobicContact CD2-CE1 3.71Å; L33-F118 HydrophobicContact CD2-CE2 4.36Å; L33-F118 HydrophobicContact CD2-CG 3.65Å; L33-F118 HydrophobicContact CD2-CZ 4.17Å |
| 34 | Y | 92.4 | Very high | 90 | Very high | 137 Ų | 137 | 46.4 Ų | 46.4 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.9 | 166.9 | -57.4 | -83.5 | 0 | 0 | 0 | 106.8 | V40 I41 H43 | Y34-V40 WeakPolarHBondContact O-CA 3.34Å; Y34-I41 PolarHBondContact N-O 3.46Å; Y34-I41 PolarHBondContact O-N 3.03Å; Y34-H43 HydrophobicContact CD2-CB 4.43Å; Y34-H43 HydrophobicContact CE2-CB 3.96Å |
| 35 | I | 90.9 | Very high | 91 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 9% | 0.092 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.8 | -178 | -57.9 | 172.4 | 0 | 0 | 0 | 106.2 | L33 E39 V40 F118 L119 L120 G123 E124 | L33-I35 HydrophobicContact CB-CG1 4.46Å; I35-E39 WeakPolarHBondContact CA-O 3.45Å; I35-V40 HydrophobicContact CB-CG2 4.42Å; I35-V40 HydrophobicContact CG1-CG1 4.11Å; I35-V40 HydrophobicContact CG1-CG2 4.01Å; I35-V40 HydrophobicContact CG2-CG2 4.09Å; I35-F118 HydrophobicContact CD1-CB 4.06Å; I35-F118 HydrophobicContact CD1-CD2 3.67Å; I35-F118 HydrophobicContact CD1-CG 4.25Å; I35-L119 WeakPolarHBondContact CD1-O 3.48Å; I35-L120 HydrophobicContact CG2-CD2 4.44Å; I35-G123 CarbonylContact O-C 3.51Å; I35-G123 VanDerWaalsContact O-CA 3.28Å; I35-G123 WeakPolarHBondContact O-CA 3.49Å; I35-E124 PolarHBondContact O-N 2.92Å |
| 36 | S | 88 | Confident | 91.3 | Very high | 29 Ų | 29 | 49 Ų | 49 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 121.8 | 174.5 | -164.8 | 0 | 0 | 0 | 0 | 109.9 | G38 E39 E124 Q126 | S36-G38 PolarHBondContact O-N 2.82Å; S36-E39 PolarHBondContact N-O 3.43Å; S36-E39 WeakPolarHBondContact O-CB 3.08Å; S36-E39 PolarHBondContact O-N 3.09Å; S36-E124 WeakPolarHBondContact CA-O 3.37Å; S36-E124 PolarHBondContact OG-O 3.11Å; S36-Q126 WeakPolarHBondContact OG-CG 3.17Å; S36-Q126 PolarHBondContact OG-NE2 2.97Å |
| 37 | E | 79.1 | Confident | 91.3 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 22% | 0.22 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 43.6 | 178.8 | -53.3 | -155.8 | 146.4 | 0 | 0 | 114.8 | E39 Q126 N146 I148 L149 | E37-E39 VanDerWaalsContact C-N 3.26Å; E37-E39 PolarHBondContact O-N 3.11Å; E37-Q126 HydrophobicContact CG-CB 4.17Å; E37-Q126 HydrophobicContact CG-CG 4Å; E37-Q126 PolarHBondContact OE1-N 3.29Å; E37-N146 PolarHBondContact OE2-ND2 3.44Å; E37-I148 HydrophobicContact CB-CG2 4.34Å; E37-I148 VanDerWaalsContact O-CG2 3.25Å; E37-I148 WeakPolarHBondContact O-CG2 3.37Å; E37-L149 HydrophobicContact CG-CD2 4.4Å |
| 38 | G | 75.6 | Confident | 91 | Very high | 8 Ų | 8 | 52 Ų | 52 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S36 | S36-G38 PolarHBondContact O-N 2.82Š|
| 39 | E | 87.5 | Confident | 90.5 | Very high | 121 Ų | 121 | 58.4 Ų | 58.4 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.5 | 159.9 | -62.1 | -165 | 162.5 | 0 | 0 | 110.2 | I35 S36 E37 S85 | I35-E39 WeakPolarHBondContact CA-O 3.45Å; S36-E39 PolarHBondContact N-O 3.43Å; S36-E39 WeakPolarHBondContact O-CB 3.08Å; S36-E39 PolarHBondContact O-N 3.09Å; E37-E39 VanDerWaalsContact C-N 3.26Å; E37-E39 PolarHBondContact O-N 3.11Å; E39-S85 WeakPolarHBondContact CA-OG 3.33Å |
| 40 | V | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 119.9 | 178.9 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | L33 Y34 I35 L84 S85 I88 F118 L120 | L33-V40 HydrophobicContact CD2-CG1 3.73Å; Y34-V40 WeakPolarHBondContact O-CA 3.34Å; I35-V40 HydrophobicContact CB-CG2 4.42Å; I35-V40 HydrophobicContact CG1-CG1 4.11Å; I35-V40 HydrophobicContact CG1-CG2 4.01Å; I35-V40 HydrophobicContact CG2-CG2 4.09Å; V40-L84 HydrophobicContact CB-CB 4.16Å; V40-L84 HydrophobicContact CG1-CB 4.2Å; V40-L84 HydrophobicContact CG1-CD1 4Å; V40-L84 HydrophobicContact CG1-CG 4.48Å; V40-L84 PolarHBondContact O-N 3.19Å; V40-S85 PolarHBondContact N-OG 3.41Å; V40-I88 HydrophobicContact CB-CD1 3.51Å; V40-I88 HydrophobicContact CG1-CD1 4.04Å; V40-I88 HydrophobicContact CG2-CD1 3.35Å; V40-F118 HydrophobicContact CG1-CE2 4.34Å; V40-L120 HydrophobicContact CG2-CD2 3.69Å |
| 41 | I | 93.9 | Very high | 89.4 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 30% | 0.303 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.1 | 179.6 | -47.3 | -173.6 | 0 | 0 | 0 | 108.4 | L33 Y34 C82 L83 | L33-I41 WeakPolarHBondContact CA-O 3.42Å; Y34-I41 PolarHBondContact N-O 3.46Å; Y34-I41 PolarHBondContact O-N 3.03Å; I41-C82 WeakPolarHBondContact CA-O 3.42Å; I41-L83 HydrophobicContact CB-CD2 4.37Å; I41-L83 HydrophobicContact CD1-CD2 4Å; I41-L83 HydrophobicContact CG1-CD2 3.72Å; I41-L83 HydrophobicContact CG2-CD2 4.13Å |
| 42 | L | 95.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 130.7 | 171.5 | -176.2 | 68.2 | 0 | 0 | 0 | 108.9 | V31 L33 W44 V58 Y81 C82 L84 V100 V102 | V31-L42 HydrophobicContact CG1-CD1 3.74Å; L33-L42 HydrophobicContact CD1-CD1 3.97Å; L33-L42 HydrophobicContact CD2-CD1 4.36Å; L33-L42 HydrophobicContact CG-CD1 3.78Å; L42-W44 HydrophobicContact CB-CZ3 4.28Å; L42-W44 HydrophobicContact CD2-CE3 4.17Å; L42-W44 HydrophobicContact CD2-CZ3 3.8Å; L42-W44 HydrophobicContact CG-CE3 3.91Å; L42-W44 HydrophobicContact CG-CZ3 3.82Å; L42-V58 HydrophobicContact CD2-CG1 3.57Å; L42-V58 HydrophobicContact CD2-CG2 4.23Å; L42-Y81 CarbonylContact O-C 3.58Å; L42-Y81 WeakPolarHBondContact O-CA 3.44Å; L42-Y81 WeakPolarHBondContact O-CB 3.47Å; L42-C82 HydrophobicContact CB-CB 4.22Å; L42-C82 HydrophobicContact CD2-CB 4.45Å; L42-C82 PolarHBondContact N-O 2.88Å; L42-C82 PolarHBondContact O-N 2.91Å; L42-L84 HydrophobicContact CB-CD1 4.16Å; L42-L84 HydrophobicContact CB-CG 4.42Å; L42-V100 HydrophobicContact CD1-CG1 3.68Å; L42-V100 HydrophobicContact CD1-CG2 4.24Å; L42-V100 HydrophobicContact CD2-CG2 3.52Å; L42-V100 HydrophobicContact CG-CG2 4.47Å; L42-V102 HydrophobicContact CD2-CG2 3.47Å; L42-V102 VanDerWaalsContact CD2-CG2 3.47Å; L42-V102 HydrophobicContact CG-CG2 4.19Å |
| 43 | H | 96.6 | Very high | 88.4 | Confident | 65 Ų | 65 | 61 Ų | 61 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.3 | 176.8 | -173.2 | -84.2 | 0 | 0 | 0 | 110.5 | V31 N32 Y34 | V31-H43 WeakPolarHBondContact CA-O 3.34Å; N32-H43 PolarHBondContact N-O 2.85Å; N32-H43 PolarHBondContact O-N 3.06Å; Y34-H43 HydrophobicContact CD2-CB 4.43Å; Y34-H43 HydrophobicContact CE2-CB 3.96Å |
| 44 | W | 96.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 173.2 | 174.9 | 57.8 | 93.4 | 0 | 0 | 0 | 111.3 | P28 V31 L42 Y56 V58 I77 R79 T80 C82 V102 | P28-W44 HydrophobicContact CB-CB 4.25Å; P28-W44 HydrophobicContact CB-CG 4.25Å; V31-W44 HydrophobicContact CG2-CB 3.89Å; L42-W44 HydrophobicContact CB-CZ3 4.28Å; L42-W44 HydrophobicContact CD2-CE3 4.17Å; L42-W44 HydrophobicContact CD2-CZ3 3.8Å; L42-W44 HydrophobicContact CG-CE3 3.91Å; L42-W44 HydrophobicContact CG-CZ3 3.82Å; W44-Y56 AromaticContact CD1-CD1 4Å; W44-Y56 AromaticContact CD1-CE1 3.64Å; W44-Y56 AromaticContact CD1-CZ 3.77Å; W44-Y56 AromaticContact CE2-CD1 3.97Å; W44-Y56 AromaticContact CE2-CD2 3.98Å; W44-Y56 AromaticContact CE2-CG 3.78Å; W44-Y56 HydrophobicContact CZ2-CD1 4.36Å; W44-Y56 AromaticContact CZ2-CD2 3.97Å; W44-Y56 HydrophobicContact CZ2-CD2 3.97Å; W44-Y56 AromaticContact CZ2-CG 3.76Å; W44-Y56 HydrophobicContact CZ2-CG 3.76Å; W44-Y56 AromaticContact NE1-CD1 3.22Å; W44-Y56 AromaticContact NE1-CD2 3.36Å; W44-Y56 AromaticContact NE1-CE1 3.22Å; W44-Y56 AromaticContact NE1-CE2 3.37Å; W44-Y56 AromaticContact NE1-CG 3.29Å; W44-Y56 VanDerWaalsContact NE1-CG 3.29Å; W44-Y56 AromaticContact NE1-CZ 3.31Å; W44-Y56 VanDerWaalsContact NE1-CZ 3.31Å; W44-V58 HydrophobicContact CH2-CG2 3.8Å; W44-V58 HydrophobicContact CZ3-CG2 4.18Å; W44-I77 HydrophobicContact CH2-CD1 3.89Å; W44-I77 HydrophobicContact CZ2-CD1 4.13Å; W44-R79 WeakPolarHBondContact CZ2-O 3.48Å; W44-T80 VanDerWaalsContact CD2-O 3.26Å; W44-T80 PolarHBondContact N-O 3.47Å; W44-T80 WeakPolarHBondContact O-CB 3.39Å; W44-C82 HydrophobicContact CH2-CB 3.89Å; W44-C82 HydrophobicContact CZ3-CB 3.86Å; W44-V102 HydrophobicContact CD2-CG1 3.84Å; W44-V102 HydrophobicContact CD2-CG2 4.28Å; W44-V102 HydrophobicContact CE3-CG1 4.2Å; W44-V102 HydrophobicContact CE3-CG2 3.91Å; W44-V102 HydrophobicContact CG-CG1 4.26Å; W44-V102 HydrophobicContact CH2-CG1 4.43Å; W44-V102 HydrophobicContact CZ2-CG1 4.08Å; W44-V102 HydrophobicContact CZ3-CG1 4.48Å; W44-V102 HydrophobicContact CZ3-CG2 4.23Å |
| 45 | E | 94.9 | Very high | 88.4 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 36% | 0.36 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.8 | 176.2 | -75.7 | 170.4 | -146.3 | 0 | 0 | 111 | R29 N30 | R29-E45 HydrophobicContact CB-CB 4.01Å; R29-E45 PolarHBondContact N-O 3.11Å; R29-E45 PolarHBondContact O-N 3.24Å; N30-E45 HydrophobicContact CB-CB 4.42Å; N30-E45 HydrophobicContact CB-CG 4.14Å; N30-E45 WeakPolarHBondContact CB-OE1 3.5Å; N30-E45 PolarHBondContact ND2-OE1 2.68Å; N30-E45 PolarHBondContact ND2-OE2 3.39Å |
| 46 | N | 92.6 | Very high | 88.6 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | trans | -62.1 | 140.5 | 171.5 | -75.1 | 25.1 | 0 | 0 | 0 | 110.6 | R29 A50 Y56 T80 | R29-N46 PolarHBondContact NE-O 2.77Å; R29-N46 PolarHBondContact NH2-O 3.43Å; N46-A50 HydrophobicContact CB-CB 4.29Å; N46-Y56 PolarHBondContact OD1-OH 2.77Å; N46-T80 WeakPolarHBondContact OD1-CG2 3.23Å | ||
| 47 | P | 90.5 | Very high | 89 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | trans | -65.8 | 154.5 | 163.3 | 27.5 | -31 | 0 | 0 | 0 | 110.6 | P26 N49 A50 L104 | P26-P47 HydrophobicContact CB-CB 3.63Å; P26-P47 HydrophobicContact CB-CG 4.1Å; P26-P47 HydrophobicContact CG-CB 3.62Å; P26-P47 HydrophobicContact CG-CG 3.7Å; P47-N49 PolarHBondContact O-N 2.97Å; P47-A50 HydrophobicContact CG-CB 3.9Å; P47-A50 WeakPolarHBondContact O-CB 3.38Å; P47-A50 PolarHBondContact O-N 2.8Å; P47-A50 VanDerWaalsContact O-N 3.11Å; P47-L104 HydrophobicContact CG-CD2 3.72Å | ||
| 48 | E | 83.5 | Confident | 89.8 | Confident | 153 Ų | 153 | 52.6 Ų | 52.6 | 72% | 0.715 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29.8 | -174 | -62.1 | 177.1 | 171.7 | 0 | 0 | 113.1 | R29 | R29-E48 VanDerWaalsContact CZ-CG 3.47Å; R29-E48 IonicContact CZ-OE1 3.92Å; R29-E48 VanDerWaalsContact NH1-CD 3.33Å; R29-E48 VanDerWaalsContact NH1-CG 3.34Å; R29-E48 IonicContact NH1-OE1 2.76Å; R29-E48 PolarHBondContact NH1-OE1 3.01Å; R29-E48 VanDerWaalsContact NH2-CG 3.28Å; R29-E48 IonicContact NH2-OE1 2.68Å |
| 49 | N | 82.6 | Confident | 90.7 | Very high | 136 Ų | 136 | 54 Ų | 54 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 45.4 | 175.6 | -56.7 | -49.9 | 0 | 0 | 0 | 110.4 | P47 | P47-N49 PolarHBondContact O-N 2.97Š|
| 50 | A | 81.8 | Confident | 91 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 28% | 0.281 | 27% | 0.273 | S | S | . | . | trans | -65.7 | 128.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | N46 P47 L104 | N46-A50 HydrophobicContact CB-CB 4.29Å; P47-A50 HydrophobicContact CG-CB 3.9Å; P47-A50 WeakPolarHBondContact O-CB 3.38Å; P47-A50 PolarHBondContact O-N 2.8Å; P47-A50 VanDerWaalsContact O-N 3.11Å; A50-L104 HydrophobicContact CB-CD2 4.42Å | ||
| 51 | P | 83.3 | Confident | 91 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 20% | 0.201 | 28% | 0.275 | C | S | . | . | trans | -66.2 | 146.2 | 171.1 | -11.3 | 24.9 | 0 | 0 | 0 | 110.8 | D53 A54 E106 | P51-D53 PolarHBondContact O-N 2.99Å; P51-A54 HydrophobicContact CB-CB 4.02Å; P51-A54 HydrophobicContact CG-CB 4.09Å; P51-A54 WeakPolarHBondContact O-CB 3.5Å; P51-A54 PolarHBondContact O-N 2.79Å; P51-E106 HydrophobicContact CB-CG 4.23Å; P51-E106 WeakPolarHBondContact CB-OE1 3.5Å; P51-E106 HydrophobicContact CG-CB 4.44Å; P51-E106 HydrophobicContact CG-CG 4.42Å; P51-E106 VanDerWaalsContact CG-OE2 3.27Å; P51-E106 WeakPolarHBondContact CG-OE2 3.29Å | ||
| 52 | A | 81.4 | Confident | 90.7 | Very high | 104 Ų | 104 | 50 Ų | 50 | 86% | 0.86 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -35.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A54 | A52-A54 VanDerWaalsContact C-N 3.33Š|
| 53 | D | 85.8 | Confident | 90.1 | Very high | 144 Ų | 144 | 55.5 Ų | 55.5 | 77% | 0.77 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 12.1 | -178.5 | -59 | -42.1 | 0 | 0 | 0 | 112.9 | P51 | P51-D53 PolarHBondContact O-N 2.99Š|
| 54 | A | 89.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | trans | -81.1 | 143.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P51 A52 L104 V105 E106 | P51-A54 HydrophobicContact CB-CB 4.02Å; P51-A54 HydrophobicContact CG-CB 4.09Å; P51-A54 WeakPolarHBondContact O-CB 3.5Å; P51-A54 PolarHBondContact O-N 2.79Å; A52-A54 VanDerWaalsContact C-N 3.33Å; A54-L104 HydrophobicContact CB-CD1 3.44Å; A54-L104 VanDerWaalsContact CB-CD1 3.44Å; A54-L104 HydrophobicContact CB-CD2 4.34Å; A54-L104 HydrophobicContact CB-CG 3.91Å; A54-V105 CarbonylContact C-O 3.56Å; A54-V105 VanDerWaalsContact CA-O 3.32Å; A54-V105 WeakPolarHBondContact CA-O 3.29Å; A54-E106 HydrophobicContact CB-CB 4.21Å | ||
| 55 | V | 94.8 | Very high | 88.7 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 26% | 0.255 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 153.1 | -178.1 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | T78 V105 | V55-T78 HydrophobicContact CG1-CG2 4.13Å; V55-V105 HydrophobicContact CG2-CB 4.29Å; V55-V105 PolarHBondContact N-O 2.88Å; V55-V105 PolarHBondContact O-N 2.8Å |
| 56 | Y | 95.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.3 | 177.5 | -61.5 | -77.3 | 0 | 0 | 0 | 112 | P28 W44 N46 G76 I77 T80 V102 Q103 L104 | P28-Y56 HydrophobicContact CB-CE1 4.31Å; P28-Y56 HydrophobicContact CG-CD1 4.1Å; P28-Y56 HydrophobicContact CG-CE1 3.93Å; W44-Y56 AromaticContact CD1-CD1 4Å; W44-Y56 AromaticContact CD1-CE1 3.64Å; W44-Y56 AromaticContact CD1-CZ 3.77Å; W44-Y56 AromaticContact CE2-CD1 3.97Å; W44-Y56 AromaticContact CE2-CD2 3.98Å; W44-Y56 AromaticContact CE2-CG 3.78Å; W44-Y56 HydrophobicContact CZ2-CD1 4.36Å; W44-Y56 AromaticContact CZ2-CD2 3.97Å; W44-Y56 HydrophobicContact CZ2-CD2 3.97Å; W44-Y56 AromaticContact CZ2-CG 3.76Å; W44-Y56 HydrophobicContact CZ2-CG 3.76Å; W44-Y56 AromaticContact NE1-CD1 3.22Å; W44-Y56 AromaticContact NE1-CD2 3.36Å; W44-Y56 AromaticContact NE1-CE1 3.22Å; W44-Y56 AromaticContact NE1-CE2 3.37Å; W44-Y56 AromaticContact NE1-CG 3.29Å; W44-Y56 VanDerWaalsContact NE1-CG 3.29Å; W44-Y56 AromaticContact NE1-CZ 3.31Å; W44-Y56 VanDerWaalsContact NE1-CZ 3.31Å; N46-Y56 PolarHBondContact OD1-OH 2.77Å; Y56-G76 PolarHBondContact O-N 2.98Å; Y56-I77 WeakPolarHBondContact CD2-O 3.47Å; Y56-I77 PolarHBondContact N-O 2.99Å; Y56-I77 WeakPolarHBondContact O-CG1 3.48Å; Y56-I77 PolarHBondContact O-N 2.86Å; Y56-T80 HydrophobicContact CE2-CG2 4.27Å; Y56-V102 HydrophobicContact CD1-CG1 4.05Å; Y56-Q103 VanDerWaalsContact CA-O 3.29Å; Y56-Q103 WeakPolarHBondContact CA-O 3.44Å; Y56-L104 HydrophobicContact CD1-CB 4.2Å; Y56-L104 HydrophobicContact CD1-CD1 3.85Å; Y56-L104 HydrophobicContact CE1-CB 4.03Å; Y56-L104 HydrophobicContact CE1-CD1 3.58Å; Y56-L104 HydrophobicContact CE1-CG 4.24Å; Y56-L104 HydrophobicContact CE2-CD1 4.37Å; Y56-L104 HydrophobicContact CG-CD1 4.36Å |
| 57 | N | 95.9 | Very high | 87.6 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.4 | 167 | -74.3 | -20.1 | 0 | 0 | 0 | 109.6 | M75 G76 V102 Q103 W113 | N57-M75 HydrophobicContact CB-CE 3.92Å; N57-M75 HydrophobicContact CB-SD 4Å; N57-M75 VanDerWaalsContact CG-CE 3.5Å; N57-G76 PolarHBondContact OD1-N 3.4Å; N57-V102 WeakPolarHBondContact O-CA 3.37Å; N57-Q103 PolarHBondContact N-O 3.11Å; N57-Q103 PolarHBondContact O-N 2.88Å; N57-W113 HydrophobicContact CB-CH2 4.13Å; N57-W113 WeakPolarHBondContact O-CZ3 3.4Å |
| 58 | V | 96.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.8 | 177.5 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | L42 W44 V71 C74 C82 L84 V100 G101 V102 | L42-V58 HydrophobicContact CD2-CG1 3.57Å; L42-V58 HydrophobicContact CD2-CG2 4.23Å; W44-V58 HydrophobicContact CH2-CG2 3.8Å; W44-V58 HydrophobicContact CZ3-CG2 4.18Å; V58-V71 HydrophobicContact CB-CB 4.21Å; V58-V71 HydrophobicContact CB-CG2 4.45Å; V58-V71 HydrophobicContact CG1-CB 4.22Å; V58-V71 HydrophobicContact CG1-CG2 3.96Å; V58-V71 WeakPolarHBondContact O-CB 3.44Å; V58-V71 PolarHBondContact O-N 3.09Å; V58-C74 HydrophobicContact CB-CB 3.82Å; V58-C74 HydrophobicContact CG2-CB 3.77Å; V58-C74 PolarHBondContact N-O 2.87Å; V58-C74 VanDerWaalsContact N-O 3.09Å; V58-C82 HydrophobicContact CG2-CB 4.12Å; V58-L84 HydrophobicContact CG1-CD2 4.27Å; V58-V100 HydrophobicContact CG1-CG2 3.85Å; V58-G101 WeakPolarHBondContact CA-O 3.38Å; V58-V102 HydrophobicContact CG2-CG1 4.4Å; V58-V102 HydrophobicContact CG2-CG2 4.36Å |
| 59 | Q | 94.8 | Very high | 88 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.6 | 173.6 | -69.8 | -178.9 | -17.1 | 0 | 0 | 110.6 | W68 V69 N70 V100 G101 W113 | Q59-W68 HydrophobicContact CB-CB 4.42Å; Q59-W68 HydrophobicContact CB-CE3 3.72Å; Q59-W68 HydrophobicContact CB-CZ3 4.48Å; Q59-V69 CarbonylContact C-O 3.59Å; Q59-V69 VanDerWaalsContact CA-O 3.28Å; Q59-V69 WeakPolarHBondContact CA-O 3.41Å; Q59-N70 WeakPolarHBondContact CG-OD1 3.17Å; Q59-N70 PolarHBondContact NE2-OD1 3.46Å; Q59-V100 CarbonylContact O-C 3.56Å; Q59-V100 WeakPolarHBondContact O-CA 3.36Å; Q59-V100 WeakPolarHBondContact O-CG2 2.96Å; Q59-G101 PolarHBondContact N-O 3Å; Q59-G101 PolarHBondContact O-N 3.32Å; Q59-W113 HydrophobicContact CB-CH2 4.14Å; Q59-W113 HydrophobicContact CB-CZ3 4.12Å; Q59-W113 HydrophobicContact CG-CH2 3.56Å; Q59-W113 HydrophobicContact CG-CZ2 4.19Å; Q59-W113 HydrophobicContact CG-CZ3 4.05Å |
| 60 | M | 92.5 | Very high | 88.5 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.039 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.8 | 177 | -164.7 | 174.6 | 73.6 | 0 | 0 | 111 | V69 V71 L84 D87 I88 I91 Y98 L99 F118 | M60-V69 PolarHBondContact N-O 2.81Å; M60-V69 PolarHBondContact O-N 3.12Å; M60-V71 HydrophobicContact CB-CG2 4.16Å; M60-L84 HydrophobicContact SD-CD1 4.31Å; M60-D87 HydrophobicContact CE-CB 4.46Å; M60-I88 HydrophobicContact CE-CG1 3.94Å; M60-I88 HydrophobicContact SD-CG1 4.2Å; M60-I91 HydrophobicContact CE-CD1 3.37Å; M60-Y98 HydrophobicContact CE-CD1 4.47Å; M60-L99 CarbonylContact C-O 3.4Å; M60-L99 WeakPolarHBondContact CA-O 3.46Å; M60-L99 WeakPolarHBondContact CG-O 3.44Å; M60-F118 HydrophobicContact SD-CE1 4.39Å; M60-F118 HydrophobicContact SD-CZ 3.99Å |
| 61 | T | 91 | Very high | 89 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.055 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 162.9 | 170.5 | -167 | 0 | 0 | 0 | 0 | 111 | D67 W68 L99 | T61-D67 VanDerWaalsContact CB-O 3.25Å; T61-D67 WeakPolarHBondContact CB-O 3.33Å; T61-D67 PolarHBondContact OG1-O 3.35Å; T61-W68 HydrophobicContact CG2-CD2 3.78Å; T61-W68 HydrophobicContact CG2-CE3 4.06Å; T61-W68 HydrophobicContact CG2-CG 4.32Å; T61-W68 HydrophobicContact CG2-CH2 4.03Å; T61-W68 HydrophobicContact CG2-CZ2 3.68Å; T61-W68 HydrophobicContact CG2-CZ3 4.19Å; T61-L99 HydrophobicContact CG2-CB 4Å; T61-L99 HydrophobicContact CG2-CD1 4.48Å; T61-L99 PolarHBondContact N-O 3.44Å; T61-L99 PolarHBondContact O-N 2.99Å |
| 62 | K | 89.2 | Confident | 89.4 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 139.9 | 167.6 | -179.8 | 174.9 | 175.9 | 179.7 | 0 | 108.1 | V64 A65 E93 A96 Y98 | K62-V64 PolarHBondContact O-N 2.86Å; K62-A65 HydrophobicContact CB-CB 4Å; K62-A65 PolarHBondContact O-N 3.12Å; K62-E93 WeakPolarHBondContact CD-OE2 3.38Å; K62-E93 WeakPolarHBondContact CE-OE2 3.48Å; K62-E93 IonicContact NZ-OE1 3.05Å; K62-E93 PolarHBondContact NZ-OE1 3.18Å; K62-E93 IonicContact NZ-OE2 2.62Å; K62-E93 PolarHBondContact NZ-OE2 2.86Å; K62-A96 HydrophobicContact CD-CB 4.37Å; K62-A96 HydrophobicContact CG-CB 4.29Å; K62-Y98 HydrophobicContact CB-CE1 4.41Å |
| 63 | Y | 83.3 | Confident | 89.8 | Confident | 114 Ų | 114 | 63.5 Ų | 63.5 | 45% | 0.447 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.5 | -169.9 | -178.5 | -87.4 | 0 | 0 | 0 | 114.8 | A97 L99 R117 | Y63-A97 VanDerWaalsContact CB-O 3.28Å; Y63-A97 WeakPolarHBondContact CB-O 3.42Å; Y63-A97 PolarHBondContact N-O 2.95Å; Y63-L99 HydrophobicContact CD2-CD1 3.85Å; Y63-L99 HydrophobicContact CD2-CD2 3.75Å; Y63-L99 HydrophobicContact CD2-CG 3.62Å; Y63-L99 HydrophobicContact CE2-CD1 4.33Å; Y63-L99 HydrophobicContact CE2-CD2 4.07Å; Y63-L99 HydrophobicContact CE2-CG 4.34Å; Y63-L99 HydrophobicContact CG-CD1 4.39Å; Y63-L99 HydrophobicContact CG-CG 4.35Å; Y63-R117 HydrophobicContact CD2-CB 4.46Å; Y63-R117 HydrophobicContact CD2-CG 3.96Å; Y63-R117 HydrophobicContact CE2-CG 4.31Å |
| 64 | V | 80.8 | Confident | 90.3 | Very high | 128 Ų | 128 | 56.6 Ų | 56.6 | 78% | 0.776 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -11.5 | -179.6 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | K62 | K62-V64 PolarHBondContact O-N 2.86Š|
| 65 | A | 80.8 | Confident | 90.5 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 31% | 0.314 | 32% | 0.323 | S | S | . | . | trans | -84.2 | 150.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K62 | K62-A65 HydrophobicContact CB-CB 4Å; K62-A65 PolarHBondContact O-N 3.12Å | ||
| 66 | L | 78 | Confident | 90.5 | Very high | 155 Ų | 155 | 59.2 Ų | 59.2 | 81% | 0.812 | 33% | 0.331 | S | S | * | . | trans | -93.7 | -19.3 | 175.3 | -66.1 | 173.1 | 0 | 0 | 0 | 112.4 | W68 | L66-W68 VanDerWaalsContact O-CD1 3.26Å; L66-W68 PolarHBondContact O-N 3.09Å | ||
| 67 | D | 86.8 | Confident | 90.4 | Very high | 130 Ų | 130 | 59.8 Ų | 59.8 | 70% | 0.695 | 34% | 0.335 | S | S | * | . | trans | -82.9 | 107.9 | -173.2 | -54.5 | -48.4 | 0 | 0 | 0 | 110.8 | T61 | T61-D67 VanDerWaalsContact CB-O 3.25Å; T61-D67 WeakPolarHBondContact CB-O 3.33Å; T61-D67 PolarHBondContact OG1-O 3.35Å | ||
| 68 | W | 90.9 | Very high | 90.3 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 27% | 0.265 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 123.4 | 175.6 | -71.7 | 77.2 | 0 | 0 | 0 | 110.3 | Q59 T61 L66 L99 K115 | Q59-W68 HydrophobicContact CB-CB 4.42Å; Q59-W68 HydrophobicContact CB-CE3 3.72Å; Q59-W68 HydrophobicContact CB-CZ3 4.48Å; T61-W68 HydrophobicContact CG2-CD2 3.78Å; T61-W68 HydrophobicContact CG2-CE3 4.06Å; T61-W68 HydrophobicContact CG2-CG 4.32Å; T61-W68 HydrophobicContact CG2-CH2 4.03Å; T61-W68 HydrophobicContact CG2-CZ2 3.68Å; T61-W68 HydrophobicContact CG2-CZ3 4.19Å; L66-W68 VanDerWaalsContact O-CD1 3.26Å; L66-W68 PolarHBondContact O-N 3.09Å; W68-L99 HydrophobicContact CH2-CB 3.77Å; W68-L99 HydrophobicContact CZ2-CB 4.29Å; W68-L99 HydrophobicContact CZ2-CD1 4.33Å; W68-L99 HydrophobicContact CZ3-CB 4.45Å; W68-K115 HydrophobicContact CH2-CD 3.69Å; W68-K115 HydrophobicContact CH2-CG 4.09Å; W68-K115 HydrophobicContact CZ2-CD 3.85Å |
| 69 | V | 91.3 | Very high | 90.2 | Very high | 95 Ų | 95 | 68.4 Ų | 68.4 | 58% | 0.576 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | Q59 M60 V71 | Q59-V69 CarbonylContact C-O 3.59Å; Q59-V69 VanDerWaalsContact CA-O 3.28Å; Q59-V69 WeakPolarHBondContact CA-O 3.41Å; M60-V69 PolarHBondContact N-O 2.81Å; M60-V69 PolarHBondContact O-N 3.12Å; V69-V71 PolarHBondContact O-N 2.7Å |
| 70 | N | 93.3 | Very high | 90.2 | Very high | 83 Ų | 83 | 68.4 Ų | 68.4 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 127.3 | 172.4 | -71.6 | -21.2 | 0 | 0 | 0 | 110.2 | Q59 S72 M75 | Q59-N70 WeakPolarHBondContact CG-OD1 3.17Å; Q59-N70 PolarHBondContact NE2-OD1 3.46Å; N70-S72 PolarHBondContact O-N 3.34Å; N70-S72 VanDerWaalsContact O-N 3.12Å; N70-M75 HydrophobicContact CB-CE 4.35Å; N70-M75 HydrophobicContact CB-CG 4.13Å; N70-M75 HydrophobicContact CB-SD 3.84Å |
| 71 | V | 93.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.024 | 40% | 0.4 | C | S | . | . | trans | -77.7 | 97.9 | 171.9 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | V58 M60 V69 S73 C74 M75 L84 | V58-V71 HydrophobicContact CB-CB 4.21Å; V58-V71 HydrophobicContact CB-CG2 4.45Å; V58-V71 HydrophobicContact CG1-CB 4.22Å; V58-V71 HydrophobicContact CG1-CG2 3.96Å; V58-V71 WeakPolarHBondContact O-CB 3.44Å; V58-V71 PolarHBondContact O-N 3.09Å; M60-V71 HydrophobicContact CB-CG2 4.16Å; V69-V71 PolarHBondContact O-N 2.7Å; V71-S73 PolarHBondContact O-N 3.17Å; V71-S73 VanDerWaalsContact O-N 3.12Å; V71-C74 HydrophobicContact CB-CB 4.26Å; V71-C74 HydrophobicContact CG1-CB 3.85Å; V71-C74 CarbonylContact O-C 3.56Å; V71-C74 WeakPolarHBondContact O-CA 3.5Å; V71-C74 PolarHBondContact O-N 2.94Å; V71-M75 PolarHBondContact O-N 3.01Å; V71-L84 HydrophobicContact CB-CD2 4.42Å; V71-L84 HydrophobicContact CG1-CD2 3.85Å; V71-L84 HydrophobicContact CG2-CD2 3.81Å | ||
| 72 | S | 90 | Very high | 90.5 | Very high | 94 Ų | 94 | 73.1 Ų | 73.1 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -57.8 | -31.8 | -167.6 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | N70 C74 | N70-S72 PolarHBondContact O-N 3.34Å; N70-S72 VanDerWaalsContact O-N 3.12Å; S72-C74 PolarHBondContact O-N 3Å |
| 73 | S | 91 | Very high | 90.7 | Very high | 58 Ų | 58 | 73.7 Ų | 73.7 | 41% | 0.406 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -71.5 | -10.2 | 176 | 61.8 | 0 | 0 | 0 | 0 | 114.3 | V71 R79 | V71-S73 PolarHBondContact O-N 3.17Å; V71-S73 VanDerWaalsContact O-N 3.12Å; S73-R79 PolarHBondContact O-NH2 2.74Å |
| 74 | C | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -137.7 | 28.1 | -169 | -58 | 0 | 0 | 0 | 0 | 113.5 | V58 V71 S72 I77 C82 | V58-C74 HydrophobicContact CB-CB 3.82Å; V58-C74 HydrophobicContact CG2-CB 3.77Å; V58-C74 PolarHBondContact N-O 2.87Å; V58-C74 VanDerWaalsContact N-O 3.09Å; V71-C74 HydrophobicContact CB-CB 4.26Å; V71-C74 HydrophobicContact CG1-CB 3.85Å; V71-C74 CarbonylContact O-C 3.56Å; V71-C74 WeakPolarHBondContact O-CA 3.5Å; V71-C74 PolarHBondContact O-N 2.94Å; S72-C74 PolarHBondContact O-N 3Å; C74-I77 HydrophobicContact CB-CD1 3.7Å; C74-I77 HydrophobicContact CB-CG1 4.42Å; C74-C82 HydrophobicContact CB-CB 3.82Å; C74-C82 WeakPolarHBondContact CB-SG 2.97Å; C74-C82 WeakPolarHBondContact SG-CA 3.28Å; C74-C82 WeakPolarHBondContact SG-CB 3.27Å; C74-C82 CovalentContact SG-SG 2.02Å; C74-C82 PolarHBondContact SG-SG 3.35Å |
| 75 | M | 95.1 | Very high | 91.3 | Very high | 64 Ų | 64 | 63.7 Ų | 63.7 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -94.5 | 133.2 | 164.6 | -62.7 | -59.7 | -69.3 | 0 | 0 | 109.1 | N57 N70 V71 I77 | N57-M75 HydrophobicContact CB-CE 3.92Å; N57-M75 HydrophobicContact CB-SD 4Å; N57-M75 VanDerWaalsContact CG-CE 3.5Å; N70-M75 HydrophobicContact CB-CE 4.35Å; N70-M75 HydrophobicContact CB-CG 4.13Å; N70-M75 HydrophobicContact CB-SD 3.84Å; V71-M75 PolarHBondContact O-N 3.01Å; M75-I77 PolarHBondContact O-N 2.02Å |
| 76 | G | 93.9 | Very high | 91.5 | Very high | 42 Ų | 42 | 65 Ų | 65 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 66.7 | 29.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y56 N57 | Y56-G76 PolarHBondContact O-N 2.98Å; N57-G76 PolarHBondContact OD1-N 3.4Å |
| 77 | I | 94.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -93.7 | 139.2 | -175.5 | 56.2 | 165.9 | 0 | 0 | 0 | 112.7 | W44 Y56 C74 M75 R79 | W44-I77 HydrophobicContact CH2-CD1 3.89Å; W44-I77 HydrophobicContact CZ2-CD1 4.13Å; Y56-I77 WeakPolarHBondContact CD2-O 3.47Å; Y56-I77 PolarHBondContact N-O 2.99Å; Y56-I77 WeakPolarHBondContact O-CG1 3.48Å; Y56-I77 PolarHBondContact O-N 2.86Å; C74-I77 HydrophobicContact CB-CD1 3.7Å; C74-I77 HydrophobicContact CB-CG1 4.42Å; M75-I77 PolarHBondContact O-N 2.02Å; I77-R79 HydrophobicContact CB-CG 4.18Å; I77-R79 HydrophobicContact CD1-CG 4.01Å |
| 78 | T | 93.3 | Very high | 91.6 | Very high | 114 Ų | 114 | 52.6 Ų | 52.6 | 70% | 0.699 | 30% | 0.301 | S | S | * | . | trans | -86 | -22.6 | 175.9 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | V55 | V55-T78 HydrophobicContact CG1-CG2 4.13Š| ||
| 79 | R | 94.4 | Very high | 91.1 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 36% | 0.362 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -69.6 | 151.7 | 176.4 | 63.1 | 174.7 | -172.8 | -102.7 | -7 | 111.9 | W44 S73 I77 Y81 | W44-R79 WeakPolarHBondContact CZ2-O 3.48Å; S73-R79 PolarHBondContact O-NH2 2.74Å; I77-R79 HydrophobicContact CB-CG 4.18Å; I77-R79 HydrophobicContact CD1-CG 4.01Å; R79-Y81 VanDerWaalsContact C-N 3.3Å; R79-Y81 HydrophobicContact CB-CD1 4.08Å; R79-Y81 HydrophobicContact CB-CE1 3.91Å; R79-Y81 WeakPolarHBondContact CD-O 3.41Å; R79-Y81 HydrophobicContact CG-CD1 4.39Å; R79-Y81 HydrophobicContact CG-CE1 4.29Å; R79-Y81 PolarHBondContact NE-O 2.97Å; R79-Y81 PolarHBondContact O-N 2.83Å |
| 80 | T | 94.6 | Very high | 90.6 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -91.1 | 18.9 | -177.3 | 59 | 0 | 0 | 0 | 0 | 114.5 | W44 N46 Y56 | W44-T80 VanDerWaalsContact CD2-O 3.26Å; W44-T80 PolarHBondContact N-O 3.47Å; W44-T80 WeakPolarHBondContact O-CB 3.39Å; N46-T80 WeakPolarHBondContact OD1-CG2 3.23Å; Y56-T80 HydrophobicContact CE2-CG2 4.27Å |
| 81 | Y | 95.5 | Very high | 89.7 | Confident | 115 Ų | 115 | 53 Ų | 53 | 45% | 0.451 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 153.9 | -179.5 | 71.4 | -86.2 | 0 | 0 | 0 | 112.7 | L42 R79 | L42-Y81 CarbonylContact O-C 3.58Å; L42-Y81 WeakPolarHBondContact O-CA 3.44Å; L42-Y81 WeakPolarHBondContact O-CB 3.47Å; R79-Y81 VanDerWaalsContact C-N 3.3Å; R79-Y81 HydrophobicContact CB-CD1 4.08Å; R79-Y81 HydrophobicContact CB-CE1 3.91Å; R79-Y81 WeakPolarHBondContact CD-O 3.41Å; R79-Y81 HydrophobicContact CG-CD1 4.39Å; R79-Y81 HydrophobicContact CG-CE1 4.29Å; R79-Y81 PolarHBondContact NE-O 2.97Å; R79-Y81 PolarHBondContact O-N 2.83Å |
| 82 | C | 95.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 137.8 | -178.7 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | I41 L42 W44 V58 C74 L84 | I41-C82 WeakPolarHBondContact CA-O 3.42Å; L42-C82 HydrophobicContact CB-CB 4.22Å; L42-C82 HydrophobicContact CD2-CB 4.45Å; L42-C82 PolarHBondContact N-O 2.88Å; L42-C82 PolarHBondContact O-N 2.91Å; W44-C82 HydrophobicContact CH2-CB 3.89Å; W44-C82 HydrophobicContact CZ3-CB 3.86Å; V58-C82 HydrophobicContact CG2-CB 4.12Å; C74-C82 HydrophobicContact CB-CB 3.82Å; C74-C82 WeakPolarHBondContact CB-SG 2.97Å; C74-C82 WeakPolarHBondContact SG-CA 3.28Å; C74-C82 WeakPolarHBondContact SG-CB 3.27Å; C74-C82 CovalentContact SG-SG 2.02Å; C74-C82 PolarHBondContact SG-SG 3.35Å; C82-L84 VanDerWaalsContact SG-CD2 3.58Å |
| 83 | L | 93.7 | Very high | 88.3 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 48% | 0.482 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.2 | 173.6 | -59.3 | 178.1 | 0 | 0 | 0 | 108.9 | I41 | I41-L83 HydrophobicContact CB-CD2 4.37Å; I41-L83 HydrophobicContact CD1-CD2 4Å; I41-L83 HydrophobicContact CG1-CD2 3.72Å; I41-L83 HydrophobicContact CG2-CD2 4.13Å |
| 84 | L | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -99.9 | -8.1 | -177.6 | -56.8 | -179.5 | 0 | 0 | 0 | 113.2 | L33 V40 L42 V58 M60 V71 C82 A86 D87 I88 V100 | L33-L84 HydrophobicContact CD2-CD1 4.47Å; V40-L84 HydrophobicContact CB-CB 4.16Å; V40-L84 HydrophobicContact CG1-CB 4.2Å; V40-L84 HydrophobicContact CG1-CD1 4Å; V40-L84 HydrophobicContact CG1-CG 4.48Å; V40-L84 PolarHBondContact O-N 3.19Å; L42-L84 HydrophobicContact CB-CD1 4.16Å; L42-L84 HydrophobicContact CB-CG 4.42Å; V58-L84 HydrophobicContact CG1-CD2 4.27Å; M60-L84 HydrophobicContact SD-CD1 4.31Å; V71-L84 HydrophobicContact CB-CD2 4.42Å; V71-L84 HydrophobicContact CG1-CD2 3.85Å; V71-L84 HydrophobicContact CG2-CD2 3.81Å; C82-L84 VanDerWaalsContact SG-CD2 3.58Å; L84-A86 VanDerWaalsContact C-N 3.26Å; L84-A86 PolarHBondContact O-N 3.27Å; L84-D87 PolarHBondContact O-N 3.04Å; L84-I88 HydrophobicContact CB-CD1 3.84Å; L84-I88 HydrophobicContact CB-CG1 4.42Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 2.86Å; L84-V100 HydrophobicContact CD1-CG2 4.02Å | ||
| 85 | S | 84.3 | Confident | 87.4 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.3 | -40.9 | -172.5 | -37 | 0 | 0 | 0 | 0 | 113.1 | E39 V40 D87 A89 | E39-S85 WeakPolarHBondContact CA-OG 3.33Å; V40-S85 PolarHBondContact N-OG 3.41Å; S85-D87 VanDerWaalsContact C-N 3.33Å; S85-D87 PolarHBondContact O-N 3.25Å; S85-A89 WeakPolarHBondContact O-CB 3.38Å; S85-A89 PolarHBondContact O-N 3.29Å |
| 86 | A | 85 | Confident | 87.1 | Confident | 65 Ų | 65 | 59 Ų | 59 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.5 | -27.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L84 K90 | L84-A86 VanDerWaalsContact C-N 3.26Å; L84-A86 PolarHBondContact O-N 3.27Å; A86-K90 VanDerWaalsContact O-CE 3.27Å; A86-K90 WeakPolarHBondContact O-CE 3.5Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å |
| 87 | D | 85.8 | Confident | 86.9 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -87.9 | -36.1 | 178.3 | -63.4 | -63.7 | 0 | 0 | 0 | 111.2 | M60 L84 S85 A89 K90 I91 | M60-D87 HydrophobicContact CE-CB 4.46Å; L84-D87 PolarHBondContact O-N 3.04Å; S85-D87 VanDerWaalsContact C-N 3.33Å; S85-D87 PolarHBondContact O-N 3.25Å; D87-A89 VanDerWaalsContact C-N 3.34Å; D87-A89 PolarHBondContact O-N 2.86Å; D87-K90 WeakPolarHBondContact O-CB 3.33Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 IonicContact OD1-NZ 3.94Å; D87-K90 PolarHBondContact OD1-NZ 2.78Å; D87-I91 WeakPolarHBondContact O-CD1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.4Å |
| 88 | I | 81.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62 | -42.2 | 171.9 | -67.9 | 165.9 | 0 | 0 | 0 | 111 | V40 M60 L84 K90 I91 F118 L120 | V40-I88 HydrophobicContact CB-CD1 3.51Å; V40-I88 HydrophobicContact CG1-CD1 4.04Å; V40-I88 HydrophobicContact CG2-CD1 3.35Å; M60-I88 HydrophobicContact CE-CG1 3.94Å; M60-I88 HydrophobicContact SD-CG1 4.2Å; L84-I88 HydrophobicContact CB-CD1 3.84Å; L84-I88 HydrophobicContact CB-CG1 4.42Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 2.86Å; I88-K90 PolarHBondContact O-N 3.08Å; I88-K90 VanDerWaalsContact O-N 3.13Å; I88-I91 PolarHBondContact O-N 3.11Å; I88-I91 VanDerWaalsContact O-N 3.11Å; I88-F118 HydrophobicContact CD1-CE2 4.25Å; I88-F118 HydrophobicContact CD1-CZ 4.28Å; I88-L120 HydrophobicContact CD1-CD2 4.28Å; I88-L120 HydrophobicContact CG2-CD1 3.78Å; I88-L120 HydrophobicContact CG2-CD2 4.03Å |
| 89 | A | 79.9 | Confident | 86.7 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 45% | 0.446 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.6 | -27 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | S85 D87 | S85-A89 WeakPolarHBondContact O-CB 3.38Å; S85-A89 PolarHBondContact O-N 3.29Å; D87-A89 VanDerWaalsContact C-N 3.34Å; D87-A89 PolarHBondContact O-N 2.86Å |
| 90 | K | 81.2 | Confident | 86.7 | Confident | 137 Ų | 137 | 48.6 Ų | 48.6 | 60% | 0.596 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -79.1 | -24.3 | 179.3 | -63.3 | 165.9 | -167.1 | 161.5 | 0 | 113.6 | A86 D87 I88 | A86-K90 VanDerWaalsContact O-CE 3.27Å; A86-K90 WeakPolarHBondContact O-CE 3.5Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å; D87-K90 WeakPolarHBondContact O-CB 3.33Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 IonicContact OD1-NZ 3.94Å; D87-K90 PolarHBondContact OD1-NZ 2.78Å; I88-K90 PolarHBondContact O-N 3.08Å; I88-K90 VanDerWaalsContact O-N 3.13Å |
| 91 | I | 73.4 | Confident | 86.7 | Confident | 67 Ų | 67 | 46.7 Ų | 46.7 | 34% | 0.344 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -84.1 | -14.4 | -165.4 | -61.7 | 163.5 | 0 | 0 | 0 | 112.2 | M60 D87 I88 E93 Y98 | M60-I91 HydrophobicContact CE-CD1 3.37Å; D87-I91 WeakPolarHBondContact O-CD1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.4Å; I88-I91 PolarHBondContact O-N 3.11Å; I88-I91 VanDerWaalsContact O-N 3.11Å; I91-E93 PolarHBondContact O-N 2.86Å; I91-Y98 HydrophobicContact CD1-CE1 4.01Å; I91-Y98 HydrophobicContact CG2-CE1 4.04Å; I91-Y98 WeakPolarHBondContact CG2-OH 3.48Å |
| 92 | N | 71.8 | Confident | 86.7 | Confident | 126 Ų | 126 | 41.2 Ų | 41.2 | 67% | 0.674 | 24% | 0.235 | S | C | * | . | trans | 58.2 | -10.2 | 177.2 | -76.5 | -22.4 | 0 | 0 | 0 | 117.3 | Y94 | N92-Y94 WeakPolarHBondContact O-CD2 3.46Š| ||
| 93 | E | 83.9 | Confident | 86.7 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 39% | 0.393 | 24% | 0.239 | S | C | . | . | trans | -101.3 | 87.9 | 178.1 | -65.8 | -174.8 | 177 | 0 | 0 | 112.3 | K62 I91 T95 A96 Y98 | K62-E93 WeakPolarHBondContact CD-OE2 3.38Å; K62-E93 WeakPolarHBondContact CE-OE2 3.48Å; K62-E93 IonicContact NZ-OE1 3.05Å; K62-E93 PolarHBondContact NZ-OE1 3.18Å; K62-E93 IonicContact NZ-OE2 2.62Å; K62-E93 PolarHBondContact NZ-OE2 2.86Å; I91-E93 PolarHBondContact O-N 2.86Å; E93-T95 PolarHBondContact O-N 2.87Å; E93-A96 HydrophobicContact CB-CB 4.26Å; E93-Y98 PolarHBondContact O-OH 2.85Å | ||
| 94 | Y | 83.8 | Confident | 86.8 | Confident | 27 Ų | 27 | 37.9 Ų | 37.9 | 11% | 0.106 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17 | -174.1 | -67.8 | -100.2 | 0 | 0 | 0 | 114.1 | N92 L120 I148 K151 I152 | N92-Y94 WeakPolarHBondContact O-CD2 3.46Å; Y94-L120 HydrophobicContact CD1-CD1 4Å; Y94-L120 HydrophobicContact CG-CD1 4.48Å; Y94-I148 HydrophobicContact CE1-CG1 4.33Å; Y94-K151 VanDerWaalsContact CB-O 3.23Å; Y94-K151 WeakPolarHBondContact CB-O 3.39Å; Y94-K151 HydrophobicContact CD1-CB 4.07Å; Y94-K151 HydrophobicContact CD2-CB 3.81Å; Y94-K151 HydrophobicContact CD2-CD 4.07Å; Y94-K151 HydrophobicContact CD2-CG 4.5Å; Y94-K151 HydrophobicContact CE1-CB 4.47Å; Y94-K151 HydrophobicContact CE1-CD 4.4Å; Y94-K151 HydrophobicContact CE2-CB 4.26Å; Y94-K151 HydrophobicContact CE2-CD 3.68Å; Y94-K151 HydrophobicContact CG-CB 3.74Å; Y94-I152 HydrophobicContact CD1-CG1 4Å |
| 95 | T | 83.6 | Confident | 86.8 | Confident | 94 Ų | 94 | 38.9 Ų | 38.9 | 58% | 0.577 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -8.7 | -179.3 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | E93 P154 | E93-T95 PolarHBondContact O-N 2.87Å; T95-P154 HydrophobicContact CG2-CB 4.41Å; T95-P154 HydrophobicContact CG2-CG 3.9Å |
| 96 | A | 87.3 | Confident | 87.2 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74.4 | 150.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K62 E93 Y98 | K62-A96 HydrophobicContact CD-CB 4.37Å; K62-A96 HydrophobicContact CG-CB 4.29Å; E93-A96 HydrophobicContact CB-CB 4.26Å; A96-Y98 HydrophobicContact CB-CE2 4.01Å; A96-Y98 VanDerWaalsContact O-CD2 3.27Å; A96-Y98 WeakPolarHBondContact O-CD2 3.34Å; A96-Y98 VanDerWaalsContact O-CE2 3.3Å; A96-Y98 WeakPolarHBondContact O-CE2 3.25Å |
| 97 | A | 90.2 | Very high | 87.2 | Confident | 18 Ų | 18 | 41 Ų | 41 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 139 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y63 L119 | Y63-A97 VanDerWaalsContact CB-O 3.28Å; Y63-A97 WeakPolarHBondContact CB-O 3.42Å; Y63-A97 PolarHBondContact N-O 2.95Å; A97-L119 HydrophobicContact CB-CD1 3.75Å; A97-L119 HydrophobicContact CB-CG 3.96Å |
| 98 | Y | 91.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 154 | -178.7 | -69.8 | -84.4 | 0 | 0 | 0 | 111.9 | M60 K62 I91 E93 A96 R117 F118 L120 | M60-Y98 HydrophobicContact CE-CD1 4.47Å; K62-Y98 HydrophobicContact CB-CE1 4.41Å; I91-Y98 HydrophobicContact CD1-CE1 4.01Å; I91-Y98 HydrophobicContact CG2-CE1 4.04Å; I91-Y98 WeakPolarHBondContact CG2-OH 3.48Å; E93-Y98 PolarHBondContact O-OH 2.85Å; A96-Y98 HydrophobicContact CB-CE2 4.01Å; A96-Y98 VanDerWaalsContact O-CD2 3.27Å; A96-Y98 WeakPolarHBondContact O-CD2 3.34Å; A96-Y98 VanDerWaalsContact O-CE2 3.3Å; A96-Y98 WeakPolarHBondContact O-CE2 3.25Å; Y98-R117 VanDerWaalsContact O-CA 3.29Å; Y98-R117 WeakPolarHBondContact O-CA 3.42Å; Y98-F118 HydrophobicContact CD2-CE2 4.39Å; Y98-F118 HydrophobicContact CG-CE2 4.48Å; Y98-F118 HydrophobicContact CG-CZ 4.16Å; Y98-F118 PolarHBondContact N-O 2.81Å; Y98-F118 PolarHBondContact O-N 3.17Å; Y98-L120 HydrophobicContact CE2-CD1 4.4Å |
| 99 | L | 92.6 | Very high | 87.4 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.7 | 168.4 | -74.9 | 170.6 | 0 | 0 | 0 | 108.7 | M60 T61 Y63 W68 K116 R117 | M60-L99 CarbonylContact C-O 3.4Å; M60-L99 WeakPolarHBondContact CA-O 3.46Å; M60-L99 WeakPolarHBondContact CG-O 3.44Å; T61-L99 HydrophobicContact CG2-CB 4Å; T61-L99 HydrophobicContact CG2-CD1 4.48Å; T61-L99 PolarHBondContact N-O 3.44Å; T61-L99 PolarHBondContact O-N 2.99Å; Y63-L99 HydrophobicContact CD2-CD1 3.85Å; Y63-L99 HydrophobicContact CD2-CD2 3.75Å; Y63-L99 HydrophobicContact CD2-CG 3.62Å; Y63-L99 HydrophobicContact CE2-CD1 4.33Å; Y63-L99 HydrophobicContact CE2-CD2 4.07Å; Y63-L99 HydrophobicContact CE2-CG 4.34Å; Y63-L99 HydrophobicContact CG-CD1 4.39Å; Y63-L99 HydrophobicContact CG-CG 4.35Å; W68-L99 HydrophobicContact CH2-CB 3.77Å; W68-L99 HydrophobicContact CZ2-CB 4.29Å; W68-L99 HydrophobicContact CZ2-CD1 4.33Å; W68-L99 HydrophobicContact CZ3-CB 4.45Å; L99-K116 WeakPolarHBondContact CA-O 3.35Å; L99-R117 HydrophobicContact CD2-CB 3.96Å |
| 100 | V | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.4 | 168.7 | 66.7 | 0 | 0 | 0 | 0 | 109.6 | L33 L42 V58 Q59 L84 K115 K116 F118 | L33-V100 HydrophobicContact CD1-CG1 4Å; L33-V100 HydrophobicContact CD2-CG1 4.16Å; L33-V100 HydrophobicContact CG-CG1 4.48Å; L42-V100 HydrophobicContact CD1-CG1 3.68Å; L42-V100 HydrophobicContact CD1-CG2 4.24Å; L42-V100 HydrophobicContact CD2-CG2 3.52Å; L42-V100 HydrophobicContact CG-CG2 4.47Å; V58-V100 HydrophobicContact CG1-CG2 3.85Å; Q59-V100 CarbonylContact O-C 3.56Å; Q59-V100 WeakPolarHBondContact O-CA 3.36Å; Q59-V100 WeakPolarHBondContact O-CG2 2.96Å; L84-V100 HydrophobicContact CD1-CG2 4.02Å; V100-K115 CarbonylContact O-C 3.59Å; V100-K115 VanDerWaalsContact O-CA 3.25Å; V100-K115 WeakPolarHBondContact O-CA 3.39Å; V100-K116 HydrophobicContact CG1-CB 4.2Å; V100-K116 PolarHBondContact N-O 3.49Å; V100-K116 PolarHBondContact O-N 2.67Å; V100-F118 HydrophobicContact CB-CE1 4.19Å; V100-F118 HydrophobicContact CG1-CD1 4.34Å; V100-F118 HydrophobicContact CG1-CE1 4.24Å |
| 101 | G | 94.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V58 Q59 W113 K114 | V58-G101 WeakPolarHBondContact CA-O 3.38Å; Q59-G101 PolarHBondContact N-O 3Å; Q59-G101 PolarHBondContact O-N 3.32Å; G101-W113 WeakPolarHBondContact O-CZ3 3.18Å; G101-K114 WeakPolarHBondContact CA-O 3.07Å |
| 102 | V | 96.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.7 | 169.9 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | P28 V31 L42 W44 Y56 N57 V58 K114 | P28-V102 HydrophobicContact CB-CG1 4.38Å; P28-V102 HydrophobicContact CG-CB 4.15Å; P28-V102 HydrophobicContact CG-CG1 3.83Å; V31-V102 HydrophobicContact CG1-CG2 4.29Å; V31-V102 HydrophobicContact CG2-CG2 4.47Å; L42-V102 HydrophobicContact CD2-CG2 3.47Å; L42-V102 VanDerWaalsContact CD2-CG2 3.47Å; L42-V102 HydrophobicContact CG-CG2 4.19Å; W44-V102 HydrophobicContact CD2-CG1 3.84Å; W44-V102 HydrophobicContact CD2-CG2 4.28Å; W44-V102 HydrophobicContact CE3-CG1 4.2Å; W44-V102 HydrophobicContact CE3-CG2 3.91Å; W44-V102 HydrophobicContact CG-CG1 4.26Å; W44-V102 HydrophobicContact CH2-CG1 4.43Å; W44-V102 HydrophobicContact CZ2-CG1 4.08Å; W44-V102 HydrophobicContact CZ3-CG1 4.48Å; W44-V102 HydrophobicContact CZ3-CG2 4.23Å; Y56-V102 HydrophobicContact CD1-CG1 4.05Å; N57-V102 WeakPolarHBondContact O-CA 3.37Å; V58-V102 HydrophobicContact CG2-CG1 4.4Å; V58-V102 HydrophobicContact CG2-CG2 4.36Å; V102-K114 PolarHBondContact N-O 2.99Å; V102-K114 PolarHBondContact O-N 2.82Å |
| 103 | Q | 94.7 | Very high | 90.4 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.6 | 177 | -167.5 | -175.9 | 36.8 | 0 | 0 | 109.6 | Y56 N57 V105 S110 S111 W113 | Y56-Q103 VanDerWaalsContact CA-O 3.29Å; Y56-Q103 WeakPolarHBondContact CA-O 3.44Å; N57-Q103 PolarHBondContact N-O 3.11Å; N57-Q103 PolarHBondContact O-N 2.88Å; Q103-V105 HydrophobicContact CG-CG2 4.35Å; Q103-S110 VanDerWaalsContact NE2-CB 3.28Å; Q103-S110 PolarHBondContact NE2-OG 3.13Å; Q103-S110 VanDerWaalsContact NE2-OG 3.09Å; Q103-S111 WeakPolarHBondContact CG-O 3.43Å; Q103-S111 WeakPolarHBondContact CG-OG 3.28Å; Q103-S111 PolarHBondContact NE2-O 3.22Å; Q103-W113 HydrophobicContact CB-CD2 3.79Å; Q103-W113 HydrophobicContact CB-CE3 3.64Å; Q103-W113 HydrophobicContact CB-CG 4.48Å; Q103-W113 HydrophobicContact CB-CH2 3.82Å; Q103-W113 HydrophobicContact CB-CZ2 3.97Å; Q103-W113 HydrophobicContact CB-CZ3 3.66Å; Q103-W113 HydrophobicContact CG-CD2 4.35Å; Q103-W113 HydrophobicContact CG-CZ2 4.5Å |
| 104 | L | 94.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 135.6 | 169.4 | -175.4 | 57 | 0 | 0 | 0 | 109 | I25 P47 A50 A54 Y56 S110 S111 | I25-L104 HydrophobicContact CG2-CB 3.99Å; I25-L104 HydrophobicContact CG2-CD2 3.77Å; I25-L104 HydrophobicContact CG2-CG 3.8Å; P47-L104 HydrophobicContact CG-CD2 3.72Å; A50-L104 HydrophobicContact CB-CD2 4.42Å; A54-L104 HydrophobicContact CB-CD1 3.44Å; A54-L104 VanDerWaalsContact CB-CD1 3.44Å; A54-L104 HydrophobicContact CB-CD2 4.34Å; A54-L104 HydrophobicContact CB-CG 3.91Å; Y56-L104 HydrophobicContact CD1-CB 4.2Å; Y56-L104 HydrophobicContact CD1-CD1 3.85Å; Y56-L104 HydrophobicContact CE1-CB 4.03Å; Y56-L104 HydrophobicContact CE1-CD1 3.58Å; Y56-L104 HydrophobicContact CE1-CG 4.24Å; Y56-L104 HydrophobicContact CE2-CD1 4.37Å; Y56-L104 HydrophobicContact CG-CD1 4.36Å; L104-S110 CarbonylContact O-C 3.34Å; L104-S110 WeakPolarHBondContact O-CA 3.25Å; L104-S111 PolarHBondContact N-OG 2.82Å; L104-S111 PolarHBondContact O-N 2.66Å |
| 105 | V | 93.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.8 | -173 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | A54 V55 Q103 Q109 | A54-V105 CarbonylContact C-O 3.56Å; A54-V105 VanDerWaalsContact CA-O 3.32Å; A54-V105 WeakPolarHBondContact CA-O 3.29Å; V55-V105 HydrophobicContact CG2-CB 4.29Å; V55-V105 PolarHBondContact N-O 2.88Å; V55-V105 PolarHBondContact O-N 2.8Å; Q103-V105 HydrophobicContact CG-CG2 4.35Å; V105-Q109 WeakPolarHBondContact CA-O 3.3Å |
| 106 | E | 90.9 | Very high | 91.8 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 33% | 0.327 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 107 | 177 | -176.2 | -171.3 | -155.3 | 0 | 0 | 108.3 | I25 P51 A54 N108 Q109 | I25-E106 HydrophobicContact CD1-CB 3.56Å; P51-E106 HydrophobicContact CB-CG 4.23Å; P51-E106 WeakPolarHBondContact CB-OE1 3.5Å; P51-E106 HydrophobicContact CG-CB 4.44Å; P51-E106 HydrophobicContact CG-CG 4.42Å; P51-E106 VanDerWaalsContact CG-OE2 3.27Å; P51-E106 WeakPolarHBondContact CG-OE2 3.29Å; A54-E106 HydrophobicContact CB-CB 4.21Å; E106-N108 PolarHBondContact O-N 2.87Å; E106-N108 VanDerWaalsContact O-N 3.11Å; E106-Q109 PolarHBondContact N-O 3.33Å; E106-Q109 PolarHBondContact O-N 3.07Å |
| 107 | G | 85.4 | Confident | 92.1 | Very high | 71 Ų | 71 | 59 Ų | 59 | 73% | 0.732 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | -116.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 108 | N | 83.8 | Confident | 92.1 | Very high | 178 Ų | 178 | 58.3 Ų | 58.3 | 95% | 0.952 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.4 | 178.6 | -70 | -3.1 | 0 | 0 | 0 | 113.9 | E106 | E106-N108 PolarHBondContact O-N 2.87Å; E106-N108 VanDerWaalsContact O-N 3.11Å |
| 109 | Q | 87.5 | Confident | 92 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 147.7 | 178.4 | -69.6 | -169.8 | 86.5 | 0 | 0 | 110.6 | T23 I25 V105 E106 | T23-Q109 PolarHBondContact O-OE1 3.06Å; I25-Q109 VanDerWaalsContact CD1-C 3.46Å; I25-Q109 HydrophobicContact CD1-CB 3.64Å; I25-Q109 WeakPolarHBondContact CD1-O 3.27Å; I25-Q109 HydrophobicContact CG1-CB 4.05Å; V105-Q109 WeakPolarHBondContact CA-O 3.3Å; E106-Q109 PolarHBondContact N-O 3.33Å; E106-Q109 PolarHBondContact O-N 3.07Å |
| 110 | S | 91.2 | Very high | 91.8 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 147.1 | 179.3 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | Q103 L104 | Q103-S110 VanDerWaalsContact NE2-CB 3.28Å; Q103-S110 PolarHBondContact NE2-OG 3.13Å; Q103-S110 VanDerWaalsContact NE2-OG 3.09Å; L104-S110 CarbonylContact O-C 3.34Å; L104-S110 WeakPolarHBondContact O-CA 3.25Å |
| 111 | S | 92.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | trans | -72.4 | 175.4 | -178.1 | 78.9 | 0 | 0 | 0 | 0 | 111.9 | I25 Q103 L104 | I25-S111 WeakPolarHBondContact O-CA 3.37Å; I25-S111 VanDerWaalsContact O-CB 3.23Å; I25-S111 WeakPolarHBondContact O-CB 3.27Å; Q103-S111 WeakPolarHBondContact CG-O 3.43Å; Q103-S111 WeakPolarHBondContact CG-OG 3.28Å; Q103-S111 PolarHBondContact NE2-O 3.22Å; L104-S111 PolarHBondContact N-OG 2.82Å; L104-S111 PolarHBondContact O-N 2.66Å | ||
| 112 | K | 92.4 | Very high | 90.9 | Very high | 175 Ų | 175 | 67.1 Ų | 67.1 | 76% | 0.761 | 34% | 0.335 | S | S | * | . | trans | -68.3 | 145.7 | 160.7 | -65.8 | -175.6 | -179.1 | 178.7 | 0 | 109.8 | P27 K114 | P27-K112 WeakPolarHBondContact CB-O 3.32Å; K112-K114 PolarHBondContact O-N 3.49Å | ||
| 113 | W | 93.2 | Very high | 90.4 | Very high | 77 Ų | 77 | 67.5 Ų | 67.5 | 29% | 0.292 | 34% | 0.339 | S | S | . | . | trans | -66.5 | 122.3 | 172.8 | -73.7 | 95.4 | 0 | 0 | 0 | 110.9 | N57 Q59 G101 Q103 K115 | N57-W113 HydrophobicContact CB-CH2 4.13Å; N57-W113 WeakPolarHBondContact O-CZ3 3.4Å; Q59-W113 HydrophobicContact CB-CH2 4.14Å; Q59-W113 HydrophobicContact CB-CZ3 4.12Å; Q59-W113 HydrophobicContact CG-CH2 3.56Å; Q59-W113 HydrophobicContact CG-CZ2 4.19Å; Q59-W113 HydrophobicContact CG-CZ3 4.05Å; G101-W113 WeakPolarHBondContact O-CZ3 3.18Å; Q103-W113 HydrophobicContact CB-CD2 3.79Å; Q103-W113 HydrophobicContact CB-CE3 3.64Å; Q103-W113 HydrophobicContact CB-CG 4.48Å; Q103-W113 HydrophobicContact CB-CH2 3.82Å; Q103-W113 HydrophobicContact CB-CZ2 3.97Å; Q103-W113 HydrophobicContact CB-CZ3 3.66Å; Q103-W113 HydrophobicContact CG-CD2 4.35Å; Q103-W113 HydrophobicContact CG-CZ2 4.5Å; W113-K115 HydrophobicContact CB-CG 4.33Å | ||
| 114 | K | 94.5 | Very high | 90.1 | Very high | 101 Ų | 101 | 71.4 Ų | 71.4 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 109.5 | 169.2 | -170.3 | 69.1 | 172.8 | -173.4 | 0 | 108.3 | V31 G101 V102 K112 | V31-K114 HydrophobicContact CB-CG 4.15Å; V31-K114 HydrophobicContact CG2-CB 3.94Å; V31-K114 HydrophobicContact CG2-CG 3.44Å; V31-K114 VanDerWaalsContact CG2-CG 3.44Å; G101-K114 WeakPolarHBondContact CA-O 3.07Å; V102-K114 PolarHBondContact N-O 2.99Å; V102-K114 PolarHBondContact O-N 2.82Å; K112-K114 PolarHBondContact O-N 3.49Å |
| 115 | K | 93.4 | Very high | 89.9 | Confident | 110 Ų | 110 | 71.4 Ų | 71.4 | 48% | 0.478 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147.8 | -174.8 | -60.7 | -176.7 | 179.9 | -168.7 | 0 | 112.1 | W68 V100 W113 | W68-K115 HydrophobicContact CH2-CD 3.69Å; W68-K115 HydrophobicContact CH2-CG 4.09Å; W68-K115 HydrophobicContact CZ2-CD 3.85Å; V100-K115 CarbonylContact O-C 3.59Å; V100-K115 VanDerWaalsContact O-CA 3.25Å; V100-K115 WeakPolarHBondContact O-CA 3.39Å; W113-K115 HydrophobicContact CB-CG 4.33Å |
| 116 | K | 93.3 | Very high | 89.8 | Confident | 92 Ų | 92 | 74.7 Ų | 74.7 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.9 | 174.9 | -177.1 | 69.5 | 177.4 | -159.7 | 0 | 109.5 | V31 L33 L99 V100 | V31-K116 HydrophobicContact CG1-CB 4.15Å; L33-K116 HydrophobicContact CD1-CB 4.01Å; L33-K116 HydrophobicContact CD1-CG 3.34Å; L99-K116 WeakPolarHBondContact CA-O 3.35Å; V100-K116 HydrophobicContact CG1-CB 4.2Å; V100-K116 PolarHBondContact N-O 3.49Å; V100-K116 PolarHBondContact O-N 2.67Å |
| 117 | R | 92.8 | Very high | 89.8 | Confident | 127 Ų | 127 | 73.8 Ų | 73.8 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 145.4 | 172 | 178.3 | -177.4 | 171.2 | 170.3 | -5.2 | 109.6 | Y63 Y98 L99 | Y63-R117 HydrophobicContact CD2-CB 4.46Å; Y63-R117 HydrophobicContact CD2-CG 3.96Å; Y63-R117 HydrophobicContact CE2-CG 4.31Å; Y98-R117 VanDerWaalsContact O-CA 3.29Å; Y98-R117 WeakPolarHBondContact O-CA 3.42Å; L99-R117 HydrophobicContact CD2-CB 3.96Å |
| 118 | F | 90.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 157.3 | 169.9 | 68.5 | -81.4 | 0 | 0 | 0 | 111.4 | L33 I35 V40 M60 I88 Y98 V100 L120 | L33-F118 HydrophobicContact CD1-CD1 4.42Å; L33-F118 HydrophobicContact CD2-CB 4.15Å; L33-F118 HydrophobicContact CD2-CD1 3.42Å; L33-F118 VanDerWaalsContact CD2-CD1 3.42Å; L33-F118 HydrophobicContact CD2-CD2 4.12Å; L33-F118 HydrophobicContact CD2-CE1 3.71Å; L33-F118 HydrophobicContact CD2-CE2 4.36Å; L33-F118 HydrophobicContact CD2-CG 3.65Å; L33-F118 HydrophobicContact CD2-CZ 4.17Å; I35-F118 HydrophobicContact CD1-CB 4.06Å; I35-F118 HydrophobicContact CD1-CD2 3.67Å; I35-F118 HydrophobicContact CD1-CG 4.25Å; V40-F118 HydrophobicContact CG1-CE2 4.34Å; M60-F118 HydrophobicContact SD-CE1 4.39Å; M60-F118 HydrophobicContact SD-CZ 3.99Å; I88-F118 HydrophobicContact CD1-CE2 4.25Å; I88-F118 HydrophobicContact CD1-CZ 4.28Å; Y98-F118 HydrophobicContact CD2-CE2 4.39Å; Y98-F118 HydrophobicContact CG-CE2 4.48Å; Y98-F118 HydrophobicContact CG-CZ 4.16Å; Y98-F118 PolarHBondContact N-O 2.81Å; Y98-F118 PolarHBondContact O-N 3.17Å; V100-F118 HydrophobicContact CB-CE1 4.19Å; V100-F118 HydrophobicContact CG1-CD1 4.34Å; V100-F118 HydrophobicContact CG1-CE1 4.24Å; F118-L120 HydrophobicContact CE2-CD2 4.34Å |
| 119 | L | 89.3 | Confident | 90.5 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 151.5 | 162 | -70.9 | 72.1 | 0 | 0 | 0 | 109.2 | I35 A97 N121 E122 | I35-L119 WeakPolarHBondContact CD1-O 3.48Å; A97-L119 HydrophobicContact CB-CD1 3.75Å; A97-L119 HydrophobicContact CB-CG 3.96Å; L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 WeakPolarHBondContact CB-OD1 3.28Å; L119-N121 PolarHBondContact O-N 2.97Å; L119-E122 HydrophobicContact CB-CG 4.04Å; L119-E122 PolarHBondContact N-OE2 2.61Å; L119-E122 PolarHBondContact O-N 2.87Å |
| 120 | L | 87.9 | Confident | 90.8 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -70.4 | -25.9 | -178.1 | -72 | 163.5 | 0 | 0 | 0 | 113.5 | I35 V40 I88 Y94 Y98 F118 E122 I152 | I35-L120 HydrophobicContact CG2-CD2 4.44Å; V40-L120 HydrophobicContact CG2-CD2 3.69Å; I88-L120 HydrophobicContact CD1-CD2 4.28Å; I88-L120 HydrophobicContact CG2-CD1 3.78Å; I88-L120 HydrophobicContact CG2-CD2 4.03Å; Y94-L120 HydrophobicContact CD1-CD1 4Å; Y94-L120 HydrophobicContact CG-CD1 4.48Å; Y98-L120 HydrophobicContact CE2-CD1 4.4Å; F118-L120 HydrophobicContact CE2-CD2 4.34Å; L120-E122 VanDerWaalsContact C-N 3.32Å; L120-I152 HydrophobicContact CB-CG1 4.3Å; L120-I152 HydrophobicContact CB-CG2 4.09Å |
| 121 | N | 85.8 | Confident | 90.9 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -78.3 | -13.4 | 179.1 | 64 | -7.2 | 0 | 0 | 0 | 114 | L119 G123 I152 Y153 T213 | L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 WeakPolarHBondContact CB-OD1 3.28Å; L119-N121 PolarHBondContact O-N 2.97Å; N121-G123 PolarHBondContact O-N 3.04Å; N121-I152 HydrophobicContact CB-CG2 3.93Å; N121-Y153 HydrophobicContact CB-CD1 4.07Å; N121-Y153 HydrophobicContact CB-CE1 3.58Å; N121-Y153 PolarHBondContact O-OH 3.4Å; N121-Y153 VanDerWaalsContact O-OH 3.05Å; N121-T213 PolarHBondContact O-OG1 3.11Å |
| 122 | E | 85.8 | Confident | 91 | Very high | 121 Ų | 121 | 63.8 Ų | 63.8 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -75.6 | -6.9 | 173.9 | -66.4 | 171.7 | 155.1 | 0 | 0 | 113 | L119 L120 | L119-E122 HydrophobicContact CB-CG 4.04Å; L119-E122 PolarHBondContact N-OE2 2.61Å; L119-E122 PolarHBondContact O-N 2.87Å; L120-E122 VanDerWaalsContact C-N 3.32Å |
| 123 | G | 85.1 | Confident | 91 | Very high | 8 Ų | 8 | 65 Ų | 65 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -72.3 | 168.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I35 N121 T213 | I35-G123 CarbonylContact O-C 3.51Å; I35-G123 VanDerWaalsContact O-CA 3.28Å; I35-G123 WeakPolarHBondContact O-CA 3.49Å; N121-G123 PolarHBondContact O-N 3.04Å; G123-T213 WeakPolarHBondContact O-CG2 3.36Å |
| 124 | E | 88.2 | Confident | 90.9 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 122.4 | 175.5 | -172.2 | 173.3 | -178 | 0 | 0 | 111 | I35 S36 K216 | I35-E124 PolarHBondContact O-N 2.92Å; S36-E124 WeakPolarHBondContact CA-O 3.37Å; S36-E124 PolarHBondContact OG-O 3.11Å; E124-K216 IonicContact OE1-NZ 3.71Å; E124-K216 PolarHBondContact OE1-NZ 3.19Å; E124-K216 IonicContact OE2-NZ 2.83Å |
| 125 | L | 90.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 132.6 | 171.1 | -71.5 | 171 | 0 | 0 | 0 | 110.5 | L149 Y153 V206 A208 T213 S215 | L125-L149 HydrophobicContact CD2-CD2 3.64Å; L125-Y153 HydrophobicContact CD2-CE2 3.61Å; L125-V206 HydrophobicContact CB-CG1 4.09Å; L125-V206 HydrophobicContact CD1-CG1 4.29Å; L125-A208 HydrophobicContact CD1-CB 4.26Å; L125-T213 HydrophobicContact CB-CG2 4.41Å; L125-T213 HydrophobicContact CD1-CG2 3.84Å; L125-T213 HydrophobicContact CG-CG2 3.77Å; L125-S215 VanDerWaalsContact O-CA 3.3Å; L125-S215 WeakPolarHBondContact O-CA 3.22Å; L125-S215 VanDerWaalsContact O-CB 3.25Å; L125-S215 WeakPolarHBondContact O-CB 3.24Å |
| 126 | Q | 91.5 | Very high | 90.5 | Very high | 92 Ų | 92 | 57.1 Ų | 57.1 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 156.4 | 172.6 | -61.7 | -173.9 | 26.6 | 0 | 0 | 110.4 | S36 E37 V206 S215 | S36-Q126 WeakPolarHBondContact OG-CG 3.17Å; S36-Q126 PolarHBondContact OG-NE2 2.97Å; E37-Q126 HydrophobicContact CG-CB 4.17Å; E37-Q126 HydrophobicContact CG-CG 4Å; E37-Q126 PolarHBondContact OE1-N 3.29Å; Q126-V206 WeakPolarHBondContact O-CG1 3.42Å; Q126-S215 WeakPolarHBondContact O-CB 3.29Å |
| 127 | P | 92.3 | Very high | 90.3 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -65 | 132.6 | 173.6 | -13.3 | 27.1 | 0 | 0 | 0 | 109.9 | K216 | P127-K216 WeakPolarHBondContact CB-O 3.35Å; P127-K216 HydrophobicContact CG-CB 4.2Å; P127-K216 WeakPolarHBondContact CG-O 3.23Å |
| 128 | P | 91.4 | Very high | 90.2 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 144.1 | -175.4 | 30.5 | -36.9 | 0 | 0 | 0 | 111 | V143 Y159 V204 V206 | P128-V143 HydrophobicContact CB-CG1 3.93Å; P128-V143 HydrophobicContact CG-CG1 4.42Å; P128-Y159 HydrophobicContact CB-CD1 4.18Å; P128-Y159 HydrophobicContact CB-CE1 4.01Å; P128-Y159 HydrophobicContact CG-CD1 3.98Å; P128-Y159 HydrophobicContact CG-CE1 4.32Å; P128-V204 HydrophobicContact CG-CB 3.99Å; P128-V204 HydrophobicContact CG-CG1 3.57Å; P128-V206 HydrophobicContact CG-CB 4.35Å |
| 129 | S | 91.8 | Very high | 90.3 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 54% | 0.538 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 144.2 | 168.5 | 65.4 | 0 | 0 | 0 | 0 | 110.2 | H144 | S129-H144 PolarHBondContact O-N 3.23Å; S129-H144 WeakPolarHBondContact OG-CB 3.41Å |
| 130 | F | 94 | Very high | 90.5 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 173.6 | -177.4 | 66.8 | -79 | 0 | 0 | 0 | 110.7 | L132 V141 L142 I202 V204 S218 Q221 | F130-L132 HydrophobicContact CD2-CD2 3.93Å; F130-L132 HydrophobicContact CD2-CG 4.33Å; F130-L132 HydrophobicContact CE2-CD1 4.43Å; F130-L132 HydrophobicContact CE2-CD2 3.91Å; F130-L132 HydrophobicContact CE2-CG 4.11Å; F130-V141 HydrophobicContact CB-CG1 4.37Å; F130-V141 HydrophobicContact CD2-CG1 3.98Å; F130-L142 CarbonylContact C-O 3.54Å; F130-L142 WeakPolarHBondContact CA-O 3.42Å; F130-L142 WeakPolarHBondContact CB-O 3.14Å; F130-I202 HydrophobicContact CE2-CB 4.21Å; F130-I202 HydrophobicContact CE2-CG2 3.93Å; F130-I202 HydrophobicContact CZ-CG2 4.46Å; F130-I202 WeakPolarHBondContact CZ-O 3.11Å; F130-V204 HydrophobicContact CB-CG2 4.4Å; F130-V204 HydrophobicContact CD1-CB 4.34Å; F130-V204 HydrophobicContact CD1-CG2 3.71Å; F130-V204 HydrophobicContact CD2-CG2 4.17Å; F130-V204 HydrophobicContact CE1-CG2 3.97Å; F130-V204 HydrophobicContact CE2-CG2 4.36Å; F130-V204 HydrophobicContact CG-CG2 3.83Å; F130-V204 HydrophobicContact CZ-CG2 4.28Å; F130-S218 VanDerWaalsContact CE1-OG 3.29Å; F130-S218 WeakPolarHBondContact CE1-OG 3.28Å; F130-Q221 HydrophobicContact CE2-CB 3.76Å; F130-Q221 HydrophobicContact CZ-CB 3.6Å |
| 131 | S | 93.5 | Very high | 90.8 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 144.9 | 177.8 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | L142 H144 | S131-L142 PolarHBondContact N-O 2.98Å; S131-L142 PolarHBondContact O-N 3.13Å; S131-H144 PolarHBondContact OG-NE2 3.13Å |
| 132 | L | 94.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 54 Ų | 54 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.6 | -174.8 | -59.5 | -174.3 | 0 | 0 | 0 | 111.5 | F130 L139 K140 V141 I202 Q221 Q223 | F130-L132 HydrophobicContact CD2-CD2 3.93Å; F130-L132 HydrophobicContact CD2-CG 4.33Å; F130-L132 HydrophobicContact CE2-CD1 4.43Å; F130-L132 HydrophobicContact CE2-CD2 3.91Å; F130-L132 HydrophobicContact CE2-CG 4.11Å; L132-L139 HydrophobicContact CB-CD1 4.2Å; L132-L139 HydrophobicContact CD2-CD1 4.49Å; L132-K140 CarbonylContact C-O 3.59Å; L132-K140 WeakPolarHBondContact CA-O 3.33Å; L132-V141 HydrophobicContact CD2-CB 4.26Å; L132-V141 HydrophobicContact CD2-CG1 4.08Å; L132-V141 HydrophobicContact CD2-CG2 3.81Å; L132-I202 HydrophobicContact CD1-CB 4.45Å; L132-I202 HydrophobicContact CD2-CB 4.27Å; L132-I202 HydrophobicContact CD2-CD1 3.88Å; L132-I202 HydrophobicContact CD2-CG1 4.48Å; L132-Q221 HydrophobicContact CD1-CB 4.02Å; L132-Q221 HydrophobicContact CD1-CG 3.86Å; L132-Q221 WeakPolarHBondContact CD1-O 3.47Å; L132-Q221 HydrophobicContact CG-CG 4.36Å; L132-Q223 HydrophobicContact CD1-CB 4.14Å |
| 133 | R | 92.5 | Very high | 91.4 | Very high | 200 Ų | 200 | 48.3 Ų | 48.3 | 76% | 0.755 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 117.3 | 167.3 | -67.7 | -178 | 180 | -114.9 | 1.9 | 109.1 | K140 | R133-K140 HydrophobicContact CB-CB 4.37Å; R133-K140 PolarHBondContact N-O 2.85Å; R133-K140 PolarHBondContact O-N 3.21Å |
| 134 | A | 91.5 | Very high | 91.6 | Very high | 31 Ų | 31 | 51.6 Ų | 51.6 | 26% | 0.256 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 149 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T138 L139 Q223 L225 | A134-T138 WeakPolarHBondContact CA-O 3.25Å; A134-L139 HydrophobicContact CB-CD1 4.11Å; A134-Q223 HydrophobicContact CB-CG 3.65Å; A134-L225 HydrophobicContact CB-CD1 3.94Å; A134-L225 HydrophobicContact CB-CG 4.21Å |
| 135 | T | 89.8 | Confident | 91.2 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | trans | -124.3 | -176.2 | 158.3 | 69.5 | 0 | 0 | 0 | 0 | 108.2 | S137 T138 L225 | T135-S137 PolarHBondContact O-N 2.77Å; T135-S137 VanDerWaalsContact O-N 3.14Å; T135-T138 PolarHBondContact N-O 2.95Å; T135-T138 PolarHBondContact OG1-N 3.44Å; T135-T138 PolarHBondContact OG1-OG1 3.41Å; T135-L225 WeakPolarHBondContact O-CG 3.48Å | ||
| 136 | S | 88.2 | Confident | 91 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -61 | -24.4 | -176.5 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | W196 P226 | S136-W196 WeakPolarHBondContact O-CA 3.41Å; S136-W196 VanDerWaalsContact O-CB 3.27Å; S136-W196 WeakPolarHBondContact O-CB 3.28Å; S136-W196 PolarHBondContact O-N 2.87Å; S136-P226 WeakPolarHBondContact CA-O 3.32Å |
| 137 | S | 89.1 | Confident | 90.6 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -136.2 | 2.7 | -177.6 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | T135 G193 L194 | T135-S137 PolarHBondContact O-N 2.77Å; T135-S137 VanDerWaalsContact O-N 3.14Å; S137-G193 PolarHBondContact O-N 2.88Å; S137-L194 PolarHBondContact O-N 2.91Å |
| 138 | T | 91.6 | Very high | 90.3 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | trans | -133.4 | 149.8 | 179.4 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | A134 T135 F191 T192 | A134-T138 WeakPolarHBondContact CA-O 3.25Å; T135-T138 PolarHBondContact N-O 2.95Å; T135-T138 PolarHBondContact OG1-N 3.44Å; T135-T138 PolarHBondContact OG1-OG1 3.41Å; T138-F191 CarbonylContact C-O 3.43Å; T138-F191 WeakPolarHBondContact CA-O 3.47Å; T138-F191 WeakPolarHBondContact CB-O 3.33Å; T138-T192 HydrophobicContact CG2-CG2 4.05Å | ||
| 139 | L | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 111.5 | 173.9 | -178 | 53.9 | 0 | 0 | 0 | 108.6 | L132 A134 L163 F191 L194 I202 Q223 | L132-L139 HydrophobicContact CB-CD1 4.2Å; L132-L139 HydrophobicContact CD2-CD1 4.49Å; A134-L139 HydrophobicContact CB-CD1 4.11Å; L139-L163 HydrophobicContact CD2-CD1 4.05Å; L139-F191 HydrophobicContact CB-CB 4.49Å; L139-F191 PolarHBondContact N-O 3.39Å; L139-F191 PolarHBondContact O-N 2.91Å; L139-L194 HydrophobicContact CB-CD1 3.46Å; L139-L194 VanDerWaalsContact CB-CD1 3.46Å; L139-L194 HydrophobicContact CD2-CD1 4.45Å; L139-I202 HydrophobicContact CD2-CD1 3.54Å; L139-I202 HydrophobicContact CD2-CG1 4.12Å; L139-I202 HydrophobicContact CG-CD1 3.92Å; L139-Q223 HydrophobicContact CD1-CB 4.4Å |
| 140 | K | 93.1 | Very high | 89.6 | Confident | 97 Ų | 97 | 51.6 Ų | 51.6 | 42% | 0.422 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.7 | 179.3 | -172.1 | 174.2 | -172 | 174.3 | 0 | 109.4 | L132 R133 T188 K189 | L132-K140 CarbonylContact C-O 3.59Å; L132-K140 WeakPolarHBondContact CA-O 3.33Å; R133-K140 HydrophobicContact CB-CB 4.37Å; R133-K140 PolarHBondContact N-O 2.85Å; R133-K140 PolarHBondContact O-N 3.21Å; K140-T188 HydrophobicContact CD-CG2 4.17Å; K140-T188 HydrophobicContact CG-CG2 3.91Å; K140-K189 CarbonylContact C-O 3.52Å; K140-K189 WeakPolarHBondContact CA-O 3.39Å |
| 141 | V | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.6 | 174.5 | -168.6 | 0 | 0 | 0 | 0 | 108 | F130 L132 L161 T188 K189 F191 I202 | F130-V141 HydrophobicContact CB-CG1 4.37Å; F130-V141 HydrophobicContact CD2-CG1 3.98Å; L132-V141 HydrophobicContact CD2-CB 4.26Å; L132-V141 HydrophobicContact CD2-CG1 4.08Å; L132-V141 HydrophobicContact CD2-CG2 3.81Å; V141-L161 HydrophobicContact CB-CD2 3.91Å; V141-L161 HydrophobicContact CG1-CD2 3.88Å; V141-L161 HydrophobicContact CG2-CD2 4.02Å; V141-T188 CarbonylContact O-C 3.57Å; V141-T188 VanDerWaalsContact O-CA 3.28Å; V141-T188 WeakPolarHBondContact O-CA 3.3Å; V141-K189 PolarHBondContact N-O 2.85Å; V141-K189 PolarHBondContact O-N 3.19Å; V141-F191 HydrophobicContact CG2-CD2 4.1Å; V141-F191 HydrophobicContact CG2-CE2 3.81Å; V141-I202 HydrophobicContact CG2-CD1 3.33Å; V141-I202 HydrophobicContact CG2-CG2 4.36Å |
| 142 | L | 92.2 | Very high | 88.9 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.5 | 168.2 | 174.7 | 61.9 | 0 | 0 | 0 | 107.8 | F130 S131 | F130-L142 CarbonylContact C-O 3.54Å; F130-L142 WeakPolarHBondContact CA-O 3.42Å; F130-L142 WeakPolarHBondContact CB-O 3.14Å; S131-L142 PolarHBondContact N-O 2.98Å; S131-L142 PolarHBondContact O-N 3.13Å |
| 143 | V | 92 | Very high | 88.5 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130.2 | 171.2 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | P128 Y159 L177 R187 V204 | P128-V143 HydrophobicContact CB-CG1 3.93Å; P128-V143 HydrophobicContact CG-CG1 4.42Å; V143-Y159 HydrophobicContact CG1-CD1 3.84Å; V143-Y159 HydrophobicContact CG1-CD2 4.34Å; V143-Y159 HydrophobicContact CG1-CE1 3.8Å; V143-Y159 HydrophobicContact CG1-CE2 4.31Å; V143-Y159 HydrophobicContact CG1-CG 4.11Å; V143-L177 HydrophobicContact CG2-CD1 4.22Å; V143-R187 PolarHBondContact N-O 3.11Å; V143-V204 HydrophobicContact CG2-CG1 4.47Å |
| 144 | H | 89.3 | Confident | 88 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 35% | 0.352 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 142.2 | 179.6 | -63.5 | -54.7 | 0 | 0 | 0 | 110.7 | S129 S131 | S129-H144 PolarHBondContact O-N 3.23Å; S129-H144 WeakPolarHBondContact OG-CB 3.41Å; S131-H144 PolarHBondContact OG-NE2 3.13Å |
| 145 | E | 80.8 | Confident | 87.7 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 127.9 | -176.6 | 175.1 | 176.7 | -165.5 | 0 | 0 | 111.3 | R150 R187 | E145-R150 IonicContact OE1-CZ 2.61Å; E145-R150 IonicContact OE1-NE 2.67Å; E145-R150 IonicContact OE1-NH1 2.65Å; E145-R150 PolarHBondContact OE1-NH1 3.31Å; E145-R150 IonicContact OE1-NH2 2.61Å; E145-R187 IonicContact OE2-CZ 3.59Å; E145-R187 VanDerWaalsContact OE2-CZ 3.32Å; E145-R187 IonicContact OE2-NH1 2.74Å; E145-R187 PolarHBondContact OE2-NH1 2.92Å; E145-R187 IonicContact OE2-NH2 2.7Å |
| 146 | N | 86.1 | Confident | 87.4 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | trans | -100.3 | 105.4 | 161.6 | -174.7 | -13.7 | 0 | 0 | 0 | 109.3 | E37 I148 L149 | E37-N146 PolarHBondContact OE2-ND2 3.44Å; N146-I148 PolarHBondContact O-N 3.2Å; N146-I148 VanDerWaalsContact O-N 3.13Å; N146-I148 VanDerWaalsContact OD1-CG2 3.22Å; N146-I148 WeakPolarHBondContact OD1-CG2 3.17Å; N146-I148 PolarHBondContact OD1-N 3.36Å; N146-L149 HydrophobicContact CB-CD1 3.98Å; N146-L149 HydrophobicContact CB-CG 3.99Å; N146-L149 PolarHBondContact O-N 3.49Å | ||
| 147 | P | 83.3 | Confident | 87.5 | Confident | 85 Ų | 85 | 50.3 Ų | 50.3 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.9 | -14.3 | -172.3 | 28.6 | -36.3 | 0 | 0 | 0 | 114 | ||
| 148 | I | 84.8 | Confident | 87.5 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -77.9 | -27.6 | 178.4 | -147.6 | 158.4 | 0 | 0 | 0 | 112.1 | E37 Y94 N146 R150 K151 I152 | E37-I148 HydrophobicContact CB-CG2 4.34Å; E37-I148 VanDerWaalsContact O-CG2 3.25Å; E37-I148 WeakPolarHBondContact O-CG2 3.37Å; Y94-I148 HydrophobicContact CE1-CG1 4.33Å; N146-I148 PolarHBondContact O-N 3.2Å; N146-I148 VanDerWaalsContact O-N 3.13Å; N146-I148 VanDerWaalsContact OD1-CG2 3.22Å; N146-I148 WeakPolarHBondContact OD1-CG2 3.17Å; N146-I148 PolarHBondContact OD1-N 3.36Å; I148-R150 PolarHBondContact O-N 3.3Å; I148-K151 PolarHBondContact O-N 3.15Å; I148-K151 VanDerWaalsContact O-N 3.13Å; I148-I152 HydrophobicContact CG1-CD1 4.2Å; I148-I152 HydrophobicContact CG2-CD1 4.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.35Å; I148-I152 PolarHBondContact O-N 3.41Å; I148-I152 VanDerWaalsContact O-N 3.11Å |
| 149 | L | 86.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | -179.8 | -63.2 | -177.3 | 0 | 0 | 0 | 111.2 | E37 L125 N146 K151 I152 Y153 V157 | E37-L149 HydrophobicContact CG-CD2 4.4Å; L125-L149 HydrophobicContact CD2-CD2 3.64Å; N146-L149 HydrophobicContact CB-CD1 3.98Å; N146-L149 HydrophobicContact CB-CG 3.99Å; N146-L149 PolarHBondContact O-N 3.49Å; L149-K151 VanDerWaalsContact C-N 3.25Å; L149-K151 PolarHBondContact O-N 3.43Å; L149-I152 PolarHBondContact O-N 2.95Å; L149-Y153 HydrophobicContact CB-CD2 4.44Å; L149-Y153 HydrophobicContact CD2-CD2 4.37Å; L149-Y153 HydrophobicContact CD2-CE2 4.11Å; L149-Y153 WeakPolarHBondContact O-CB 3.08Å; L149-Y153 WeakPolarHBondContact O-CD2 3.47Å; L149-Y153 PolarHBondContact O-N 2.83Å; L149-V157 HydrophobicContact CB-CG1 4.33Å |
| 150 | R | 82.8 | Confident | 87.4 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -30.6 | 175.4 | -69.7 | -174.5 | 179.5 | 158.7 | 4.6 | 113.6 | E145 I148 D179 | E145-R150 IonicContact OE1-CZ 2.61Å; E145-R150 IonicContact OE1-NE 2.67Å; E145-R150 IonicContact OE1-NH1 2.65Å; E145-R150 PolarHBondContact OE1-NH1 3.31Å; E145-R150 IonicContact OE1-NH2 2.61Å; I148-R150 PolarHBondContact O-N 3.3Å; R150-D179 IonicContact CZ-OD1 3.04Å; R150-D179 IonicContact CZ-OD2 3.79Å; R150-D179 IonicContact NE-OD1 3.76Å; R150-D179 IonicContact NE-OD2 3.18Å; R150-D179 PolarHBondContact NE-OD2 3.46Å; R150-D179 VanDerWaalsContact NH2-CG 3.28Å; R150-D179 IonicContact NH2-OD1 3.32Å; R150-D179 PolarHBondContact NH2-OD1 3.37Å; R150-D179 IonicContact NH2-OD2 3.51Å; R150-D179 PolarHBondContact NH2-OD2 2.61Å; R150-D179 VanDerWaalsContact NH2-OD2 3.07Å |
| 151 | K | 85.4 | Confident | 87.4 | Confident | 110 Ų | 110 | 43.8 Ų | 43.8 | 48% | 0.478 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -75.8 | -39.9 | 176.3 | -59.3 | -172.9 | -178 | -176.7 | 0 | 111.8 | Y94 I148 L149 | Y94-K151 VanDerWaalsContact CB-O 3.23Å; Y94-K151 WeakPolarHBondContact CB-O 3.39Å; Y94-K151 HydrophobicContact CD1-CB 4.07Å; Y94-K151 HydrophobicContact CD2-CB 3.81Å; Y94-K151 HydrophobicContact CD2-CD 4.07Å; Y94-K151 HydrophobicContact CD2-CG 4.5Å; Y94-K151 HydrophobicContact CE1-CB 4.47Å; Y94-K151 HydrophobicContact CE1-CD 4.4Å; Y94-K151 HydrophobicContact CE2-CB 4.26Å; Y94-K151 HydrophobicContact CE2-CD 3.68Å; Y94-K151 HydrophobicContact CG-CB 3.74Å; I148-K151 PolarHBondContact O-N 3.15Å; I148-K151 VanDerWaalsContact O-N 3.13Å; L149-K151 VanDerWaalsContact C-N 3.25Å; L149-K151 PolarHBondContact O-N 3.43Å |
| 152 | I | 86.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -76.8 | -35.6 | -178 | -63.8 | 169.1 | 0 | 0 | 0 | 111.7 | Y94 L120 N121 I148 L149 P154 | Y94-I152 HydrophobicContact CD1-CG1 4Å; L120-I152 HydrophobicContact CB-CG1 4.3Å; L120-I152 HydrophobicContact CB-CG2 4.09Å; N121-I152 HydrophobicContact CB-CG2 3.93Å; I148-I152 HydrophobicContact CG1-CD1 4.2Å; I148-I152 HydrophobicContact CG2-CD1 4.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.35Å; I148-I152 PolarHBondContact O-N 3.41Å; I148-I152 VanDerWaalsContact O-N 3.11Å; L149-I152 PolarHBondContact O-N 2.95Å; I152-P154 WeakPolarHBondContact O-CD 3.44Å |
| 153 | Y | 86.9 | Confident | 87.3 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 6% | 0.059 | 21% | 0.212 | C | C | . | . | trans | -115 | 88.4 | -176.6 | -59.5 | -74.7 | 0 | 0 | 0 | 110.2 | N121 L125 L149 F155 G156 V157 A208 | N121-Y153 HydrophobicContact CB-CD1 4.07Å; N121-Y153 HydrophobicContact CB-CE1 3.58Å; N121-Y153 PolarHBondContact O-OH 3.4Å; N121-Y153 VanDerWaalsContact O-OH 3.05Å; L125-Y153 HydrophobicContact CD2-CE2 3.61Å; L149-Y153 HydrophobicContact CB-CD2 4.44Å; L149-Y153 HydrophobicContact CD2-CD2 4.37Å; L149-Y153 HydrophobicContact CD2-CE2 4.11Å; L149-Y153 WeakPolarHBondContact O-CB 3.08Å; L149-Y153 WeakPolarHBondContact O-CD2 3.47Å; L149-Y153 PolarHBondContact O-N 2.83Å; Y153-F155 PolarHBondContact O-N 2.91Å; Y153-F155 VanDerWaalsContact O-N 3.14Å; Y153-G156 PolarHBondContact O-N 3.05Å; Y153-V157 HydrophobicContact CD2-CG1 4.16Å; Y153-V157 HydrophobicContact CG-CG1 4.37Å; Y153-A208 HydrophobicContact CD1-CB 3.41Å; Y153-A208 VanDerWaalsContact CD1-CB 3.41Å; Y153-A208 HydrophobicContact CE1-CB 3.38Å; Y153-A208 HydrophobicContact CG-CB 4.06Å | ||
| 154 | P | 82 | Confident | 87.3 | Confident | 83 Ų | 83 | 43.9 Ų | 43.9 | 54% | 0.539 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14 | -174.9 | 28.7 | -37.5 | 0 | 0 | 0 | 114 | T95 I152 G156 | T95-P154 HydrophobicContact CG2-CB 4.41Å; T95-P154 HydrophobicContact CG2-CG 3.9Å; I152-P154 WeakPolarHBondContact O-CD 3.44Å; P154-G156 VanDerWaalsContact C-N 3.33Å |
| 155 | F | 83.8 | Confident | 87.2 | Confident | 159 Ų | 159 | 42 Ų | 42 | 70% | 0.697 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 6.1 | 173.1 | -54.5 | -65 | 0 | 0 | 0 | 112.9 | Y153 N209 | Y153-F155 PolarHBondContact O-N 2.91Å; Y153-F155 VanDerWaalsContact O-N 3.14Å; F155-N209 HydrophobicContact CB-CB 3.91Å; F155-N209 WeakPolarHBondContact O-CB 3.27Å; F155-N209 PolarHBondContact O-ND2 3.26Å |
| 156 | G | 85.2 | Confident | 87.3 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | trans | 81.5 | -171.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y153 P154 N209 | Y153-G156 PolarHBondContact O-N 3.05Å; P154-G156 VanDerWaalsContact C-N 3.33Å; G156-N209 WeakPolarHBondContact O-CB 3.33Å; G156-N209 PolarHBondContact O-N 3.39Å; G156-N209 VanDerWaalsContact O-N 3.12Å | ||
| 157 | V | 88.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.5 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | L149 Y153 Y159 D179 V206 K207 | L149-V157 HydrophobicContact CB-CG1 4.33Å; Y153-V157 HydrophobicContact CD2-CG1 4.16Å; Y153-V157 HydrophobicContact CG-CG1 4.37Å; V157-Y159 HydrophobicContact CG2-CE1 4.34Å; V157-Y159 HydrophobicContact CG2-CE2 4.08Å; V157-D179 HydrophobicContact CG2-CB 4.13Å; V157-D179 WeakPolarHBondContact O-CB 3.29Å; V157-D179 PolarHBondContact O-N 2.83Å; V157-V206 HydrophobicContact CB-CG2 3.82Å; V157-V206 HydrophobicContact CG1-CG2 4.33Å; V157-V206 HydrophobicContact CG2-CG2 4.12Å; V157-K207 WeakPolarHBondContact CA-O 3.3Å |
| 158 | T | 89.1 | Confident | 86.4 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.3 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 109.3 | Y176 L177 E178 K207 N209 | T158-Y176 HydrophobicContact CG2-CD1 4.12Å; T158-L177 CarbonylContact C-O 3.53Å; T158-L177 WeakPolarHBondContact CA-O 3.45Å; T158-E178 HydrophobicContact CG2-CG 4.19Å; T158-K207 PolarHBondContact N-O 2.91Å; T158-K207 PolarHBondContact O-N 3.16Å; T158-N209 PolarHBondContact OG1-OD1 3.3Å |
| 159 | Y | 91.4 | Very high | 85.4 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.5 | 173.8 | -52.5 | -78.9 | 0 | 0 | 0 | 110 | P128 V143 V157 Y176 L177 D179 E205 V206 | P128-Y159 HydrophobicContact CB-CD1 4.18Å; P128-Y159 HydrophobicContact CB-CE1 4.01Å; P128-Y159 HydrophobicContact CG-CD1 3.98Å; P128-Y159 HydrophobicContact CG-CE1 4.32Å; V143-Y159 HydrophobicContact CG1-CD1 3.84Å; V143-Y159 HydrophobicContact CG1-CD2 4.34Å; V143-Y159 HydrophobicContact CG1-CE1 3.8Å; V143-Y159 HydrophobicContact CG1-CE2 4.31Å; V143-Y159 HydrophobicContact CG1-CG 4.11Å; V157-Y159 HydrophobicContact CG2-CE1 4.34Å; V157-Y159 HydrophobicContact CG2-CE2 4.08Å; Y159-Y176 CarbonylContact O-C 3.52Å; Y159-Y176 WeakPolarHBondContact O-CA 3.45Å; Y159-L177 PolarHBondContact N-O 2.65Å; Y159-L177 PolarHBondContact O-N 2.77Å; Y159-D179 HydrophobicContact CE2-CB 4.06Å; Y159-E205 CarbonylContact C-O 3.6Å; Y159-E205 WeakPolarHBondContact CA-O 3.42Å; Y159-V206 HydrophobicContact CD1-CB 3.76Å; Y159-V206 HydrophobicContact CD1-CG2 3.68Å; Y159-V206 HydrophobicContact CE1-CB 3.94Å; Y159-V206 HydrophobicContact CE1-CG2 3.55Å |
| 160 | M | 91.6 | Very high | 84.4 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118 | 173.7 | -107.2 | -179.2 | 58 | 0 | 0 | 109.6 | Y162 Y176 V204 E205 | M160-Y162 HydrophobicContact CE-CE1 3.79Å; M160-Y162 HydrophobicContact CE-CE2 4.41Å; M160-Y162 VanDerWaalsContact CE-OH 3.27Å; M160-Y162 WeakPolarHBondContact CE-OH 3.4Å; M160-Y176 HydrophobicContact CG-CD1 3.47Å; M160-Y176 VanDerWaalsContact CG-CD1 3.47Å; M160-Y176 HydrophobicContact CG-CE1 3.39Å; M160-Y176 HydrophobicContact CG-CG 4.32Å; M160-Y176 HydrophobicContact SD-CD1 4.02Å; M160-Y176 HydrophobicContact SD-CE1 3.29Å; M160-Y176 WeakPolarHBondContact SD-CE1 3.44Å; M160-V204 CarbonylContact O-C 3.56Å; M160-V204 VanDerWaalsContact O-CA 3.31Å; M160-V204 WeakPolarHBondContact O-CA 3.47Å; M160-E205 HydrophobicContact CB-CG 3.56Å; M160-E205 VanDerWaalsContact CE-OE1 3.24Å; M160-E205 WeakPolarHBondContact CE-OE1 3.4Å; M160-E205 PolarHBondContact N-O 3.23Å; M160-E205 PolarHBondContact O-N 2.87Å |
| 161 | L | 93.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.8 | 179.6 | -75.6 | 67.6 | 0 | 0 | 0 | 109.5 | V141 K174 V175 L177 K189 F191 V204 | V141-L161 HydrophobicContact CB-CD2 3.91Å; V141-L161 HydrophobicContact CG1-CD2 3.88Å; V141-L161 HydrophobicContact CG2-CD2 4.02Å; L161-K174 CarbonylContact O-C 3.55Å; L161-K174 WeakPolarHBondContact O-CA 3.48Å; L161-V175 PolarHBondContact N-O 3.07Å; L161-V175 PolarHBondContact O-N 3.25Å; L161-L177 HydrophobicContact CD1-CB 4.35Å; L161-L177 HydrophobicContact CD1-CD1 3.7Å; L161-L177 HydrophobicContact CD1-CG 3.9Å; L161-L177 HydrophobicContact CD2-CD1 4.05Å; L161-K189 HydrophobicContact CD2-CB 3.67Å; L161-K189 HydrophobicContact CD2-CG 4.42Å; L161-F191 HydrophobicContact CB-CZ 4.33Å; L161-F191 HydrophobicContact CD2-CE2 4.19Å; L161-F191 HydrophobicContact CD2-CZ 4.44Å; L161-V204 HydrophobicContact CD1-CG1 4.04Å; L161-V204 HydrophobicContact CG-CG1 4.33Å; L161-V204 HydrophobicContact CG-CG2 4.22Å |
| 162 | Y | 92.4 | Very high | 83.6 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 13% | 0.129 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.6 | 173.8 | -55.8 | -88 | 0 | 0 | 0 | 108.9 | M160 T172 K174 I202 S203 E205 V217 | M160-Y162 HydrophobicContact CE-CE1 3.79Å; M160-Y162 HydrophobicContact CE-CE2 4.41Å; M160-Y162 VanDerWaalsContact CE-OH 3.27Å; M160-Y162 WeakPolarHBondContact CE-OH 3.4Å; Y162-T172 HydrophobicContact CD1-CG2 3.87Å; Y162-T172 HydrophobicContact CG-CG2 4.32Å; Y162-K174 HydrophobicContact CD1-CD 4.27Å; Y162-K174 HydrophobicContact CD1-CG 3.86Å; Y162-K174 HydrophobicContact CE1-CD 3.99Å; Y162-K174 HydrophobicContact CE1-CG 4.08Å; Y162-I202 VanDerWaalsContact O-CA 3.3Å; Y162-I202 WeakPolarHBondContact O-CA 3.45Å; Y162-S203 PolarHBondContact N-O 3.43Å; Y162-S203 PolarHBondContact O-N 2.94Å; Y162-S203 VanDerWaalsContact O-N 3.15Å; Y162-E205 HydrophobicContact CE2-CB 4.46Å; Y162-E205 HydrophobicContact CE2-CG 3.92Å; Y162-E205 PolarHBondContact OH-OE1 2.68Å; Y162-E205 VanDerWaalsContact OH-OE1 3.09Å; Y162-E205 PolarHBondContact OH-OE2 3.12Å; Y162-V217 HydrophobicContact CD2-CG1 4.31Å; Y162-V217 HydrophobicContact CE2-CG1 4.2Å; Y162-V217 HydrophobicContact CE2-CG2 4.11Å |
| 163 | L | 91.7 | Very high | 83.5 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.6 | 172.8 | 176.1 | 70.7 | 0 | 0 | 0 | 109.9 | L139 T172 T173 F191 L194 Y200 I202 | L139-L163 HydrophobicContact CD2-CD1 4.05Å; L163-T172 CarbonylContact O-C 3.6Å; L163-T172 VanDerWaalsContact O-CA 3.3Å; L163-T172 WeakPolarHBondContact O-CA 3.35Å; L163-T173 PolarHBondContact N-O 2.86Å; L163-T173 PolarHBondContact O-N 2.04Å; L163-F191 HydrophobicContact CB-CD1 4.37Å; L163-F191 HydrophobicContact CB-CE1 3.88Å; L163-F191 HydrophobicContact CB-CZ 3.96Å; L163-F191 HydrophobicContact CD2-CB 4.25Å; L163-F191 HydrophobicContact CD2-CD1 3.58Å; L163-F191 HydrophobicContact CD2-CE1 3.95Å; L163-F191 HydrophobicContact CD2-CG 3.88Å; L163-L194 HydrophobicContact CD2-CD2 3.95Å; L163-Y200 HydrophobicContact CD1-CD1 3.76Å; L163-Y200 HydrophobicContact CD1-CG 4.29Å; L163-Y200 HydrophobicContact CD2-CD1 4.29Å; L163-Y200 HydrophobicContact CG-CD1 4.14Å; L163-I202 HydrophobicContact CD1-CD1 3.84Å; L163-I202 HydrophobicContact CD1-CG1 3.64Å |
| 164 | E | 91.6 | Very high | 83.6 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 16% | 0.159 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.7 | 177.1 | -64 | 178.9 | -175.9 | 0 | 0 | 111.1 | T172 Y200 C201 K220 | E164-T172 HydrophobicContact CG-CG2 3.85Å; E164-Y200 CarbonylContact O-C 3.57Å; E164-Y200 WeakPolarHBondContact O-CA 3.48Å; E164-C201 PolarHBondContact N-O 3.17Å; E164-C201 PolarHBondContact O-N 2.91Å; E164-K220 IonicContact OE1-NZ 3.56Å; E164-K220 PolarHBondContact OE1-NZ 3.36Å; E164-K220 WeakPolarHBondContact OE2-CE 3.45Å; E164-K220 IonicContact OE2-NZ 3.33Å; E164-K220 PolarHBondContact OE2-NZ 3.49Å |
| 165 | V | 88.5 | Confident | 84 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.3 | 169.8 | -174 | 0 | 0 | 0 | 0 | 108.1 | G167 R168 Y200 | V165-G167 PolarHBondContact O-N 2.95Å; V165-R168 HydrophobicContact CB-CB 4.36Å; V165-R168 PolarHBondContact O-N 3.14Å; V165-Y200 HydrophobicContact CG2-CD1 3.99Å; V165-Y200 HydrophobicContact CG2-CE1 3.63Å |
| 166 | A | 82.9 | Confident | 84.2 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 129.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | N199 | A166-N199 HydrophobicContact CB-CB 3.87Å; A166-N199 WeakPolarHBondContact CB-O 3.3Å; A166-N199 PolarHBondContact N-O 2.76Å |
| 167 | G | 76 | Confident | 84.2 | Confident | 88 Ų | 88 | 63.1 Ų | 63.1 | 91% | 0.907 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 8.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | V165 | V165-G167 PolarHBondContact O-N 2.95Š|
| 168 | R | 74.4 | Confident | 83.8 | Confident | 158 Ų | 158 | 68.5 Ų | 68.5 | 60% | 0.596 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 87.8 | 171.4 | -174.8 | -178.6 | -69.3 | -154.7 | -3.4 | 111.3 | V165 N170 K171 | V165-R168 HydrophobicContact CB-CB 4.36Å; V165-R168 PolarHBondContact O-N 3.14Å; R168-N170 VanDerWaalsContact C-N 3.25Å; R168-N170 PolarHBondContact O-N 3.4Å; R168-K171 HydrophobicContact CG-CB 4.39Å |
| 169 | E | 63.6 | Low | 83 | Confident | 167 Ų | 167 | 68.6 Ų | 68.6 | 78% | 0.78 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | -26.7 | -177.1 | -58 | -177.2 | 159.1 | 0 | 0 | 113.2 | K171 | E169-K171 VanDerWaalsContact C-N 3.34Å; E169-K171 PolarHBondContact O-N 3.09Å |
| 170 | N | 65.3 | Low | 81.7 | Confident | 160 Ų | 160 | 72.8 Ų | 72.8 | 86% | 0.856 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 10.9 | -172.4 | -61.5 | -10.4 | 0 | 0 | 0 | 115.1 | R168 | R168-N170 VanDerWaalsContact C-N 3.25Å; R168-N170 PolarHBondContact O-N 3.4Å |
| 171 | K | 69.1 | Low | 80 | Confident | 128 Ų | 128 | 80.3 Ų | 80.3 | 56% | 0.557 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 71.4 | 178.2 | -164 | 174.4 | -178.6 | 174.7 | 0 | 112.2 | R168 E169 | R168-K171 HydrophobicContact CG-CB 4.39Å; E169-K171 VanDerWaalsContact C-N 3.34Å; E169-K171 PolarHBondContact O-N 3.09Å |
| 172 | T | 81.9 | Confident | 78.1 | Confident | 51 Ų | 51 | 84.1 Ų | 84.1 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 113.6 | 171.3 | -45.3 | 0 | 0 | 0 | 0 | 110.7 | Y162 L163 E164 | Y162-T172 HydrophobicContact CD1-CG2 3.87Å; Y162-T172 HydrophobicContact CG-CG2 4.32Å; L163-T172 CarbonylContact O-C 3.6Å; L163-T172 VanDerWaalsContact O-CA 3.3Å; L163-T172 WeakPolarHBondContact O-CA 3.35Å; E164-T172 HydrophobicContact CG-CG2 3.85Å |
| 173 | T | 84.8 | Confident | 76.4 | Confident | 63 Ų | 63 | 85.9 Ų | 85.9 | 39% | 0.387 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.4 | 169.4 | -62.8 | 0 | 0 | 0 | 0 | 109 | L163 V175 F191 | L163-T173 PolarHBondContact N-O 2.86Å; L163-T173 PolarHBondContact O-N 2.04Å; T173-V175 HydrophobicContact CG2-CG2 4.13Å; T173-F191 HydrophobicContact CG2-CE1 4.48Å |
| 174 | K | 88.9 | Confident | 74.7 | Confident | 126 Ų | 126 | 90 Ų | 90 | 55% | 0.548 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.8 | 177.3 | -58 | -174.2 | -175.2 | 178.6 | 0 | 110 | L161 Y162 | L161-K174 CarbonylContact O-C 3.55Å; L161-K174 WeakPolarHBondContact O-CA 3.48Å; Y162-K174 HydrophobicContact CD1-CD 4.27Å; Y162-K174 HydrophobicContact CD1-CG 3.86Å; Y162-K174 HydrophobicContact CE1-CD 3.99Å; Y162-K174 HydrophobicContact CE1-CG 4.08Å |
| 175 | V | 89.2 | Confident | 73.1 | Confident | 25 Ų | 25 | 95.1 Ų | 95.1 | 15% | 0.152 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 137.6 | 179.1 | 179.5 | 0 | 0 | 0 | 0 | 110 | L161 T173 K189 F191 | L161-V175 PolarHBondContact N-O 3.07Å; L161-V175 PolarHBondContact O-N 3.25Å; T173-V175 HydrophobicContact CG2-CG2 4.13Å; V175-K189 HydrophobicContact CG1-CD 3.63Å; V175-K189 HydrophobicContact CG1-CG 4.09Å; V175-F191 HydrophobicContact CB-CE1 4.4Å; V175-F191 HydrophobicContact CB-CZ 4.38Å; V175-F191 HydrophobicContact CG2-CE1 3.61Å; V175-F191 HydrophobicContact CG2-CZ 4.06Å |
| 176 | Y | 88.1 | Confident | 72 | Confident | 142 Ų | 142 | 94 Ų | 94 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143.5 | 174.3 | -55.7 | -93.4 | 0 | 0 | 0 | 110.1 | T158 Y159 M160 | T158-Y176 HydrophobicContact CG2-CD1 4.12Å; Y159-Y176 CarbonylContact O-C 3.52Å; Y159-Y176 WeakPolarHBondContact O-CA 3.45Å; M160-Y176 HydrophobicContact CG-CD1 3.47Å; M160-Y176 VanDerWaalsContact CG-CD1 3.47Å; M160-Y176 HydrophobicContact CG-CE1 3.39Å; M160-Y176 HydrophobicContact CG-CG 4.32Å; M160-Y176 HydrophobicContact SD-CD1 4.02Å; M160-Y176 HydrophobicContact SD-CE1 3.29Å; M160-Y176 WeakPolarHBondContact SD-CE1 3.44Å |
| 177 | L | 86.1 | Confident | 71.7 | Confident | 14 Ų | 14 | 94.7 Ų | 94.7 | 7% | 0.073 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 123.5 | 167.3 | -74.9 | -176.4 | 0 | 0 | 0 | 107.9 | V143 T158 Y159 L161 K189 | V143-L177 HydrophobicContact CG2-CD1 4.22Å; T158-L177 CarbonylContact C-O 3.53Å; T158-L177 WeakPolarHBondContact CA-O 3.45Å; Y159-L177 PolarHBondContact N-O 2.65Å; Y159-L177 PolarHBondContact O-N 2.77Å; L161-L177 HydrophobicContact CD1-CB 4.35Å; L161-L177 HydrophobicContact CD1-CD1 3.7Å; L161-L177 HydrophobicContact CD1-CG 3.9Å; L161-L177 HydrophobicContact CD2-CD1 4.05Å; L177-K189 HydrophobicContact CD1-CB 4.03Å; L177-K189 HydrophobicContact CD2-CB 3.98Å; L177-K189 HydrophobicContact CD2-CD 3.54Å; L177-K189 HydrophobicContact CD2-CG 4.35Å; L177-K189 HydrophobicContact CG-CB 4.24Å; L177-K189 HydrophobicContact CG-CD 4.35Å |
| 178 | E | 79.6 | Confident | 72.3 | Confident | 113 Ų | 113 | 92 Ų | 92 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.5 | 176.6 | -63.2 | 178.4 | 156.8 | 0 | 0 | 108.5 | T158 D180 | T158-E178 HydrophobicContact CG2-CG 4.19Å; E178-D180 PolarHBondContact O-N 3.2Å |
| 179 | D | 71.8 | Confident | 73 | Confident | 16 Ų | 16 | 87.9 Ų | 87.9 | 9% | 0.086 | 45% | 0.453 | C | S | . | . | trans | -80.9 | 66.6 | 179.1 | -169.7 | 37.5 | 0 | 0 | 0 | 110.9 | R150 V157 Y159 E181 | R150-D179 IonicContact CZ-OD1 3.04Å; R150-D179 IonicContact CZ-OD2 3.79Å; R150-D179 IonicContact NE-OD1 3.76Å; R150-D179 IonicContact NE-OD2 3.18Å; R150-D179 PolarHBondContact NE-OD2 3.46Å; R150-D179 VanDerWaalsContact NH2-CG 3.28Å; R150-D179 IonicContact NH2-OD1 3.32Å; R150-D179 PolarHBondContact NH2-OD1 3.37Å; R150-D179 IonicContact NH2-OD2 3.51Å; R150-D179 PolarHBondContact NH2-OD2 2.61Å; R150-D179 VanDerWaalsContact NH2-OD2 3.07Å; V157-D179 HydrophobicContact CG2-CB 4.13Å; V157-D179 WeakPolarHBondContact O-CB 3.29Å; V157-D179 PolarHBondContact O-N 2.83Å; Y159-D179 HydrophobicContact CE2-CB 4.06Å; D179-E181 PolarHBondContact O-N 2.85Å | ||
| 180 | D | 65.3 | Low | 74.4 | Confident | 92 Ų | 92 | 82.9 Ų | 82.9 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | trans | -67.2 | 123.4 | -177.4 | -71.5 | -24.8 | 0 | 0 | 0 | 112.2 | E178 G182 N183 | E178-D180 PolarHBondContact O-N 3.2Å; D180-G182 PolarHBondContact O-N 2.89Å; D180-N183 PolarHBondContact O-N 3.45Å | ||
| 181 | E | 55.3 | Low | 75.6 | Confident | 186 Ų | 186 | 76.1 Ų | 76.1 | 87% | 0.869 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 104.8 | 178.1 | -171.6 | 167 | -153.4 | 0 | 0 | 110.8 | D179 | D179-E181 PolarHBondContact O-N 2.85Š|
| 182 | G | 54 | Low | 76.5 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 81% | 0.814 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123 | -16.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D180 P184 | D180-G182 PolarHBondContact O-N 2.89Å; G182-P184 WeakPolarHBondContact O-CD 3.38Å |
| 183 | N | 57.4 | Low | 76.8 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | trans | -105.2 | 106.9 | 177.7 | -169.8 | 1.5 | 0 | 0 | 0 | 112.5 | D180 E185 G186 | D180-N183 PolarHBondContact O-N 3.45Å; N183-E185 PolarHBondContact O-N 3.07Å; N183-E185 VanDerWaalsContact O-N 3.16Å; N183-E185 VanDerWaalsContact OD1-CB 3.32Å; N183-E185 WeakPolarHBondContact OD1-CB 3.5Å; N183-E185 PolarHBondContact OD1-N 2.87Å; N183-G186 PolarHBondContact O-N 2.87Å | ||
| 184 | P | 54.4 | Low | 77 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 62% | 0.617 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.8 | 174.2 | 27.9 | -34.6 | 0 | 0 | 0 | 113.3 | G182 | G182-P184 WeakPolarHBondContact O-CD 3.38Š|
| 185 | E | 59 | Low | 76.9 | Confident | 142 Ų | 142 | 72 Ų | 72 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -18.6 | 173.8 | -54.7 | -162.3 | 138.3 | 0 | 0 | 113.7 | N183 R187 T188 | N183-E185 PolarHBondContact O-N 3.07Å; N183-E185 VanDerWaalsContact O-N 3.16Å; N183-E185 VanDerWaalsContact OD1-CB 3.32Å; N183-E185 WeakPolarHBondContact OD1-CB 3.5Å; N183-E185 PolarHBondContact OD1-N 2.87Å; E185-R187 PolarHBondContact O-N 2.82Å; E185-R187 VanDerWaalsContact O-N 3.12Å; E185-T188 WeakPolarHBondContact O-CA 3.31Å; E185-T188 WeakPolarHBondContact O-CB 3.44Å; E185-T188 PolarHBondContact O-N 2.95Å; E185-T188 VanDerWaalsContact O-O 3.1Å |
| 186 | G | 64.6 | Low | 76.8 | Confident | 10 Ų | 10 | 77.1 Ų | 77.1 | 10% | 0.103 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N183 T188 | N183-G186 PolarHBondContact O-N 2.87Å; G186-T188 VanDerWaalsContact C-N 3.29Å; G186-T188 PolarHBondContact O-N 2.84Å |
| 187 | R | 77.9 | Confident | 76.8 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 23% | 0.234 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 4.2 | 176.1 | -67.9 | 177.1 | -76.4 | 167.8 | -20.7 | 114.4 | V143 E145 E185 | V143-R187 PolarHBondContact N-O 3.11Å; E145-R187 IonicContact OE2-CZ 3.59Å; E145-R187 VanDerWaalsContact OE2-CZ 3.32Å; E145-R187 IonicContact OE2-NH1 2.74Å; E145-R187 PolarHBondContact OE2-NH1 2.92Å; E145-R187 IonicContact OE2-NH2 2.7Å; E185-R187 PolarHBondContact O-N 2.82Å; E185-R187 VanDerWaalsContact O-N 3.12Å |
| 188 | T | 87.6 | Confident | 77 | Confident | 32 Ų | 32 | 76 Ų | 76 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 115.9 | -172.1 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | K140 V141 E185 G186 | K140-T188 HydrophobicContact CD-CG2 4.17Å; K140-T188 HydrophobicContact CG-CG2 3.91Å; V141-T188 CarbonylContact O-C 3.57Å; V141-T188 VanDerWaalsContact O-CA 3.28Å; V141-T188 WeakPolarHBondContact O-CA 3.3Å; E185-T188 WeakPolarHBondContact O-CA 3.31Å; E185-T188 WeakPolarHBondContact O-CB 3.44Å; E185-T188 PolarHBondContact O-N 2.95Å; E185-T188 VanDerWaalsContact O-O 3.1Å; G186-T188 VanDerWaalsContact C-N 3.29Å; G186-T188 PolarHBondContact O-N 2.84Å |
| 189 | K | 90.3 | Very high | 77.6 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 31% | 0.313 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.3 | 167.4 | -159.4 | 74.9 | -164.1 | -170.1 | 0 | 111.4 | K140 V141 L161 V175 L177 F191 | K140-K189 CarbonylContact C-O 3.52Å; K140-K189 WeakPolarHBondContact CA-O 3.39Å; V141-K189 PolarHBondContact N-O 2.85Å; V141-K189 PolarHBondContact O-N 3.19Å; L161-K189 HydrophobicContact CD2-CB 3.67Å; L161-K189 HydrophobicContact CD2-CG 4.42Å; V175-K189 HydrophobicContact CG1-CD 3.63Å; V175-K189 HydrophobicContact CG1-CG 4.09Å; L177-K189 HydrophobicContact CD1-CB 4.03Å; L177-K189 HydrophobicContact CD2-CB 3.98Å; L177-K189 HydrophobicContact CD2-CD 3.54Å; L177-K189 HydrophobicContact CD2-CG 4.35Å; L177-K189 HydrophobicContact CG-CB 4.24Å; L177-K189 HydrophobicContact CG-CD 4.35Å; K189-F191 HydrophobicContact CB-CE2 4.41Å; K189-F191 HydrophobicContact CG-CD2 4.5Å; K189-F191 HydrophobicContact CG-CE2 4.19Å; K189-F191 HydrophobicContact CG-CZ 4.35Å |
| 190 | T | 91.3 | Very high | 78.6 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 38% | 0.38 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.3 | 164.4 | -52.1 | 0 | 0 | 0 | 0 | 109.3 | T192 | T190-T192 HydrophobicContact CG2-CG2 4.05Å |
| 191 | F | 90.3 | Very high | 79.9 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 8% | 0.075 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129 | 165.5 | -64.8 | -88.1 | 0 | 0 | 0 | 108.5 | T138 L139 V141 L161 L163 T173 V175 K189 L194 I202 | T138-F191 CarbonylContact C-O 3.43Å; T138-F191 WeakPolarHBondContact CA-O 3.47Å; T138-F191 WeakPolarHBondContact CB-O 3.33Å; L139-F191 HydrophobicContact CB-CB 4.49Å; L139-F191 PolarHBondContact N-O 3.39Å; L139-F191 PolarHBondContact O-N 2.91Å; V141-F191 HydrophobicContact CG2-CD2 4.1Å; V141-F191 HydrophobicContact CG2-CE2 3.81Å; L161-F191 HydrophobicContact CB-CZ 4.33Å; L161-F191 HydrophobicContact CD2-CE2 4.19Å; L161-F191 HydrophobicContact CD2-CZ 4.44Å; L163-F191 HydrophobicContact CB-CD1 4.37Å; L163-F191 HydrophobicContact CB-CE1 3.88Å; L163-F191 HydrophobicContact CB-CZ 3.96Å; L163-F191 HydrophobicContact CD2-CB 4.25Å; L163-F191 HydrophobicContact CD2-CD1 3.58Å; L163-F191 HydrophobicContact CD2-CE1 3.95Å; L163-F191 HydrophobicContact CD2-CG 3.88Å; T173-F191 HydrophobicContact CG2-CE1 4.48Å; V175-F191 HydrophobicContact CB-CE1 4.4Å; V175-F191 HydrophobicContact CB-CZ 4.38Å; V175-F191 HydrophobicContact CG2-CE1 3.61Å; V175-F191 HydrophobicContact CG2-CZ 4.06Å; K189-F191 HydrophobicContact CB-CE2 4.41Å; K189-F191 HydrophobicContact CG-CD2 4.5Å; K189-F191 HydrophobicContact CG-CE2 4.19Å; K189-F191 HydrophobicContact CG-CZ 4.35Å; F191-L194 HydrophobicContact CB-CD1 3.98Å; F191-L194 HydrophobicContact CB-CD2 4.41Å; F191-L194 HydrophobicContact CB-CG 4.35Å; F191-I202 HydrophobicContact CD2-CD1 4.19Å; F191-I202 HydrophobicContact CE2-CD1 3.95Å |
| 192 | T | 89.9 | Confident | 81.8 | Confident | 103 Ų | 103 | 60.8 Ų | 60.8 | 63% | 0.632 | 35% | 0.352 | S | S | * | . | trans | -118.5 | 166.3 | -178.8 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | T138 T190 L194 | T138-T192 HydrophobicContact CG2-CG2 4.05Å; T190-T192 HydrophobicContact CG2-CG2 4.05Å; T192-L194 PolarHBondContact O-N 2.91Å | ||
| 193 | G | 86.3 | Confident | 83.7 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 69% | 0.691 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 69.5 | 20.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S137 | S137-G193 PolarHBondContact O-N 2.88Š|
| 194 | L | 89.9 | Confident | 85.4 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 156 | 176.1 | -57.1 | -174.1 | 0 | 0 | 0 | 110.7 | S137 L139 L163 F191 T192 Y200 L225 | S137-L194 PolarHBondContact O-N 2.91Å; L139-L194 HydrophobicContact CB-CD1 3.46Å; L139-L194 VanDerWaalsContact CB-CD1 3.46Å; L139-L194 HydrophobicContact CD2-CD1 4.45Å; L163-L194 HydrophobicContact CD2-CD2 3.95Å; F191-L194 HydrophobicContact CB-CD1 3.98Å; F191-L194 HydrophobicContact CB-CD2 4.41Å; F191-L194 HydrophobicContact CB-CG 4.35Å; T192-L194 PolarHBondContact O-N 2.91Å; L194-Y200 HydrophobicContact CB-CE2 4.08Å; L194-Y200 HydrophobicContact CD1-CD1 4.48Å; L194-Y200 HydrophobicContact CD1-CE1 4.41Å; L194-Y200 HydrophobicContact CD1-CE2 4.5Å; L194-Y200 HydrophobicContact CD2-CD1 4.47Å; L194-Y200 HydrophobicContact CD2-CE1 3.78Å; L194-Y200 HydrophobicContact CG-CE1 4.47Å; L194-L225 HydrophobicContact CB-CD2 3.5Å; L194-L225 VanDerWaalsContact CB-CD2 3.5Å; L194-L225 HydrophobicContact CD1-CD2 4Å; L194-L225 HydrophobicContact CG-CD2 4.41Å |
| 195 | Q | 87.4 | Confident | 87.3 | Confident | 94 Ų | 94 | 50.4 Ų | 50.4 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 128 | -177.7 | -62.9 | -77.2 | -66.7 | 0 | 0 | 109.3 | K198 Y200 | Q195-K198 HydrophobicContact CB-CD 3.82Å; Q195-K198 HydrophobicContact CB-CG 4.21Å; Q195-Y200 PolarHBondContact N-OH 3.41Å |
| 196 | W | 87.5 | Confident | 88.8 | Confident | 132 Ų | 132 | 43.7 Ų | 43.7 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 157.3 | 175.6 | 64.2 | 88.6 | 0 | 0 | 0 | 111.7 | S136 K198 P226 | S136-W196 WeakPolarHBondContact O-CA 3.41Å; S136-W196 VanDerWaalsContact O-CB 3.27Å; S136-W196 WeakPolarHBondContact O-CB 3.28Å; S136-W196 PolarHBondContact O-N 2.87Å; W196-K198 PolarHBondContact O-N 3.1Å; W196-K198 VanDerWaalsContact O-N 3.12Å; W196-P226 WeakPolarHBondContact CB-O 3.39Å |
| 197 | G | 86.9 | Confident | 90 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 38% | 0.381 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 7.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | L225 | G197-L225 WeakPolarHBondContact CA-O 3.3Å; G197-L225 PolarHBondContact N-O 3.18Å |
| 198 | K | 89.6 | Confident | 90.5 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 41% | 0.413 | 25% | 0.248 | S | C | . | . | trans | -106.1 | 145.6 | 175.9 | -60.2 | -166.2 | -170.2 | 174.6 | 0 | 111.7 | Q195 W196 Y200 L225 | Q195-K198 HydrophobicContact CB-CD 3.82Å; Q195-K198 HydrophobicContact CB-CG 4.21Å; W196-K198 PolarHBondContact O-N 3.1Å; W196-K198 VanDerWaalsContact O-N 3.12Å; K198-Y200 HydrophobicContact CB-CD2 4.24Å; K198-Y200 HydrophobicContact CB-CE2 3.73Å; K198-L225 PolarHBondContact O-N 3.15Å | ||
| 199 | N | 92.2 | Very high | 90.4 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 32% | 0.316 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.9 | 175.1 | -174 | 16.4 | 0 | 0 | 0 | 109.6 | A166 C222 Q223 L224 | A166-N199 HydrophobicContact CB-CB 3.87Å; A166-N199 WeakPolarHBondContact CB-O 3.3Å; A166-N199 PolarHBondContact N-O 2.76Å; N199-C222 WeakPolarHBondContact OD1-CB 3.32Å; N199-Q223 PolarHBondContact OD1-N 2.99Å; N199-Q223 PolarHBondContact OD1-O 2.87Å; N199-L224 HydrophobicContact CB-CD1 4.24Å |
| 200 | Y | 92.9 | Very high | 89.6 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.5 | -179.9 | -74.9 | -94.3 | 0 | 0 | 0 | 109.6 | L163 E164 V165 L194 Q195 K198 C222 Q223 L225 | L163-Y200 HydrophobicContact CD1-CD1 3.76Å; L163-Y200 HydrophobicContact CD1-CG 4.29Å; L163-Y200 HydrophobicContact CD2-CD1 4.29Å; L163-Y200 HydrophobicContact CG-CD1 4.14Å; E164-Y200 CarbonylContact O-C 3.57Å; E164-Y200 WeakPolarHBondContact O-CA 3.48Å; V165-Y200 HydrophobicContact CG2-CD1 3.99Å; V165-Y200 HydrophobicContact CG2-CE1 3.63Å; L194-Y200 HydrophobicContact CB-CE2 4.08Å; L194-Y200 HydrophobicContact CD1-CD1 4.48Å; L194-Y200 HydrophobicContact CD1-CE1 4.41Å; L194-Y200 HydrophobicContact CD1-CE2 4.5Å; L194-Y200 HydrophobicContact CD2-CD1 4.47Å; L194-Y200 HydrophobicContact CD2-CE1 3.78Å; L194-Y200 HydrophobicContact CG-CE1 4.47Å; Q195-Y200 PolarHBondContact N-OH 3.41Å; K198-Y200 HydrophobicContact CB-CD2 4.24Å; K198-Y200 HydrophobicContact CB-CE2 3.73Å; Y200-C222 CarbonylContact O-C 3.57Å; Y200-C222 WeakPolarHBondContact O-CA 3.16Å; Y200-Q223 PolarHBondContact N-O 2.86Å; Y200-Q223 PolarHBondContact O-N 3.25Å; Y200-L225 HydrophobicContact CD2-CD1 3.75Å; Y200-L225 HydrophobicContact CD2-CD2 4.1Å; Y200-L225 HydrophobicContact CD2-CG 4.43Å; Y200-L225 HydrophobicContact CE2-CD1 4.42Å; Y200-L225 HydrophobicContact CE2-CD2 3.93Å; Y200-L225 HydrophobicContact CG-CD1 4.5Å |
| 201 | C | 93.5 | Very high | 88.5 | Confident | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.088 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 137.5 | 178.5 | -61 | 0 | 0 | 0 | 0 | 109.9 | E164 K220 Q221 C222 | E164-C201 PolarHBondContact N-O 3.17Å; E164-C201 PolarHBondContact O-N 2.91Å; C201-K220 HydrophobicContact CB-CB 4.44Å; C201-Q221 WeakPolarHBondContact CA-O 3.43Å; C201-C222 HydrophobicContact CB-CB 4.08Å; C201-C222 WeakPolarHBondContact CB-SG 3.46Å; C201-C222 WeakPolarHBondContact SG-CB 3.35Å; C201-C222 CovalentContact SG-SG 2.04Å; C201-C222 PolarHBondContact SG-SG 3.02Å |
| 202 | I | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.3 | 177.5 | -64.2 | -171.5 | 0 | 0 | 0 | 109.7 | F130 L132 L139 V141 Y162 L163 F191 V204 K220 Q221 | F130-I202 HydrophobicContact CE2-CB 4.21Å; F130-I202 HydrophobicContact CE2-CG2 3.93Å; F130-I202 HydrophobicContact CZ-CG2 4.46Å; F130-I202 WeakPolarHBondContact CZ-O 3.11Å; L132-I202 HydrophobicContact CD1-CB 4.45Å; L132-I202 HydrophobicContact CD2-CB 4.27Å; L132-I202 HydrophobicContact CD2-CD1 3.88Å; L132-I202 HydrophobicContact CD2-CG1 4.48Å; L139-I202 HydrophobicContact CD2-CD1 3.54Å; L139-I202 HydrophobicContact CD2-CG1 4.12Å; L139-I202 HydrophobicContact CG-CD1 3.92Å; V141-I202 HydrophobicContact CG2-CD1 3.33Å; V141-I202 HydrophobicContact CG2-CG2 4.36Å; Y162-I202 VanDerWaalsContact O-CA 3.3Å; Y162-I202 WeakPolarHBondContact O-CA 3.45Å; L163-I202 HydrophobicContact CD1-CD1 3.84Å; L163-I202 HydrophobicContact CD1-CG1 3.64Å; F191-I202 HydrophobicContact CD2-CD1 4.19Å; F191-I202 HydrophobicContact CE2-CD1 3.95Å; I202-V204 HydrophobicContact CG2-CG2 4.17Å; I202-K220 WeakPolarHBondContact O-CA 3.49Å; I202-Q221 PolarHBondContact N-O 3.03Å; I202-Q221 PolarHBondContact O-N 2.62Å |
| 203 | S | 94.5 | Very high | 87.2 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 157.1 | 163.8 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | Y162 V217 S218 | Y162-S203 PolarHBondContact N-O 3.43Å; Y162-S203 PolarHBondContact O-N 2.94Å; Y162-S203 VanDerWaalsContact O-N 3.15Å; S203-V217 WeakPolarHBondContact OG-CG1 3.49Å; S203-S218 VanDerWaalsContact CB-O 3.3Å; S203-S218 WeakPolarHBondContact CB-O 3.11Å |
| 204 | V | 93.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.7 | -172.3 | -167.2 | 0 | 0 | 0 | 0 | 109.2 | P128 F130 V143 M160 L161 I202 S218 | P128-V204 HydrophobicContact CG-CB 3.99Å; P128-V204 HydrophobicContact CG-CG1 3.57Å; F130-V204 HydrophobicContact CB-CG2 4.4Å; F130-V204 HydrophobicContact CD1-CB 4.34Å; F130-V204 HydrophobicContact CD1-CG2 3.71Å; F130-V204 HydrophobicContact CD2-CG2 4.17Å; F130-V204 HydrophobicContact CE1-CG2 3.97Å; F130-V204 HydrophobicContact CE2-CG2 4.36Å; F130-V204 HydrophobicContact CG-CG2 3.83Å; F130-V204 HydrophobicContact CZ-CG2 4.28Å; V143-V204 HydrophobicContact CG2-CG1 4.47Å; M160-V204 CarbonylContact O-C 3.56Å; M160-V204 VanDerWaalsContact O-CA 3.31Å; M160-V204 WeakPolarHBondContact O-CA 3.47Å; L161-V204 HydrophobicContact CD1-CG1 4.04Å; L161-V204 HydrophobicContact CG-CG1 4.33Å; L161-V204 HydrophobicContact CG-CG2 4.22Å; I202-V204 HydrophobicContact CG2-CG2 4.17Å; V204-S218 PolarHBondContact N-OG 3.44Å; V204-S218 VanDerWaalsContact O-CB 3.28Å; V204-S218 WeakPolarHBondContact O-CB 3.42Å; V204-S218 PolarHBondContact O-N 3.38Å; V204-S218 PolarHBondContact O-OG 2.05Å; V204-S218 VanDerWaalsContact O-OG 3.07Å |
| 205 | E | 93.1 | Very high | 87.3 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 156.2 | 165 | 68.5 | 178.5 | -164.5 | 0 | 0 | 110 | Y159 M160 Y162 S215 V217 | Y159-E205 CarbonylContact C-O 3.6Å; Y159-E205 WeakPolarHBondContact CA-O 3.42Å; M160-E205 HydrophobicContact CB-CG 3.56Å; M160-E205 VanDerWaalsContact CE-OE1 3.24Å; M160-E205 WeakPolarHBondContact CE-OE1 3.4Å; M160-E205 PolarHBondContact N-O 3.23Å; M160-E205 PolarHBondContact O-N 2.87Å; Y162-E205 HydrophobicContact CE2-CB 4.46Å; Y162-E205 HydrophobicContact CE2-CG 3.92Å; Y162-E205 PolarHBondContact OH-OE1 2.68Å; Y162-E205 VanDerWaalsContact OH-OE1 3.09Å; Y162-E205 PolarHBondContact OH-OE2 3.12Å; E205-S215 WeakPolarHBondContact CA-OG 3.1Å; E205-V217 HydrophobicContact CB-CG2 4.33Å |
| 206 | V | 91.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.2 | 173.3 | 63.1 | 0 | 0 | 0 | 0 | 110 | L125 Q126 P128 V157 Y159 K214 S215 | L125-V206 HydrophobicContact CB-CG1 4.09Å; L125-V206 HydrophobicContact CD1-CG1 4.29Å; Q126-V206 WeakPolarHBondContact O-CG1 3.42Å; P128-V206 HydrophobicContact CG-CB 4.35Å; V157-V206 HydrophobicContact CB-CG2 3.82Å; V157-V206 HydrophobicContact CG1-CG2 4.33Å; V157-V206 HydrophobicContact CG2-CG2 4.12Å; Y159-V206 HydrophobicContact CD1-CB 3.76Å; Y159-V206 HydrophobicContact CD1-CG2 3.68Å; Y159-V206 HydrophobicContact CE1-CB 3.94Å; Y159-V206 HydrophobicContact CE1-CG2 3.55Å; V206-K214 CarbonylContact O-C 3.58Å; V206-K214 WeakPolarHBondContact O-CA 3.37Å; V206-S215 PolarHBondContact N-OG 3.19Å; V206-S215 PolarHBondContact O-N 3.12Å |
| 207 | K | 90.4 | Very high | 87.8 | Confident | 110 Ų | 110 | 53 Ų | 53 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.5 | 177.6 | -175.1 | -173.7 | 173.5 | -167.7 | 0 | 109.4 | V157 T158 | V157-K207 WeakPolarHBondContact CA-O 3.3Å; T158-K207 PolarHBondContact N-O 2.91Å; T158-K207 PolarHBondContact O-N 3.16Å |
| 208 | A | 88.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L125 Y153 G211 T213 | L125-A208 HydrophobicContact CD1-CB 4.26Å; Y153-A208 HydrophobicContact CD1-CB 3.41Å; Y153-A208 VanDerWaalsContact CD1-CB 3.41Å; Y153-A208 HydrophobicContact CE1-CB 3.38Å; Y153-A208 HydrophobicContact CG-CB 4.06Å; A208-G211 PolarHBondContact O-N 3.07Å; A208-T213 PolarHBondContact N-O 3.12Å; A208-T213 VanDerWaalsContact N-O 3.1Å |
| 209 | N | 84.8 | Confident | 88.4 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 136.8 | 173.6 | -65.8 | -11.2 | 0 | 0 | 0 | 109.8 | F155 G156 T158 G211 | F155-N209 HydrophobicContact CB-CB 3.91Å; F155-N209 WeakPolarHBondContact O-CB 3.27Å; F155-N209 PolarHBondContact O-ND2 3.26Å; G156-N209 WeakPolarHBondContact O-CB 3.33Å; G156-N209 PolarHBondContact O-N 3.39Å; G156-N209 VanDerWaalsContact O-N 3.12Å; T158-N209 PolarHBondContact OG1-OD1 3.3Å; N209-G211 PolarHBondContact O-N 3.03Å |
| 210 | G | 72.9 | Confident | 88.4 | Confident | 85 Ų | 85 | 55.2 Ų | 55.2 | 88% | 0.876 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 211 | G | 69.9 | Low | 88.4 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -114.1 | 161.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | A208 N209 | A208-G211 PolarHBondContact O-N 3.07Å; N209-G211 PolarHBondContact O-N 3.03Å |
| 212 | F | 69.3 | Low | 88.4 | Confident | 216 Ų | 216 | 60.2 Ų | 60.2 | 95% | 0.947 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -87.3 | -9 | 169.7 | -61.5 | -72.6 | 0 | 0 | 0 | 113 | ||
| 213 | T | 82.1 | Confident | 88.3 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | trans | -71.1 | 128.1 | -178.6 | -45 | 0 | 0 | 0 | 0 | 111.5 | N121 G123 L125 A208 | N121-T213 PolarHBondContact O-OG1 3.11Å; G123-T213 WeakPolarHBondContact O-CG2 3.36Å; L125-T213 HydrophobicContact CB-CG2 4.41Å; L125-T213 HydrophobicContact CD1-CG2 3.84Å; L125-T213 HydrophobicContact CG-CG2 3.77Å; A208-T213 PolarHBondContact N-O 3.12Å; A208-T213 VanDerWaalsContact N-O 3.1Å | ||
| 214 | K | 87.9 | Confident | 88.2 | Confident | 139 Ų | 139 | 68.4 Ų | 68.4 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -132.5 | 148.8 | 171 | 61.4 | 177.1 | -177.1 | 173.1 | 0 | 109.3 | V206 | V206-K214 CarbonylContact O-C 3.58Å; V206-K214 WeakPolarHBondContact O-CA 3.37Å |
| 215 | S | 91.5 | Very high | 88.1 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 6% | 0.056 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 169.7 | 173.4 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | L125 Q126 E205 V206 | L125-S215 VanDerWaalsContact O-CA 3.3Å; L125-S215 WeakPolarHBondContact O-CA 3.22Å; L125-S215 VanDerWaalsContact O-CB 3.25Å; L125-S215 WeakPolarHBondContact O-CB 3.24Å; Q126-S215 WeakPolarHBondContact O-CB 3.29Å; E205-S215 WeakPolarHBondContact CA-OG 3.1Å; V206-S215 PolarHBondContact N-OG 3.19Å; V206-S215 PolarHBondContact O-N 3.12Å |
| 216 | K | 92.4 | Very high | 87.8 | Confident | 131 Ų | 131 | 70 Ų | 70 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -66 | 156.6 | 155.1 | -63.7 | 178.5 | 178.7 | 104.3 | 0 | 109.2 | E124 P127 | E124-K216 IonicContact OE1-NZ 3.71Å; E124-K216 PolarHBondContact OE1-NZ 3.19Å; E124-K216 IonicContact OE2-NZ 2.83Å; P127-K216 WeakPolarHBondContact CB-O 3.35Å; P127-K216 HydrophobicContact CG-CB 4.2Å; P127-K216 WeakPolarHBondContact CG-O 3.23Å |
| 217 | V | 93.1 | Very high | 87.4 | Confident | 70 Ų | 70 | 76 Ų | 76 | 42% | 0.424 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 135.7 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | Y162 S203 E205 | Y162-V217 HydrophobicContact CD2-CG1 4.31Å; Y162-V217 HydrophobicContact CE2-CG1 4.2Å; Y162-V217 HydrophobicContact CE2-CG2 4.11Å; S203-V217 WeakPolarHBondContact OG-CG1 3.49Å; E205-V217 HydrophobicContact CB-CG2 4.33Å |
| 218 | S | 94.8 | Very high | 86.8 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 6% | 0.056 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 156.8 | -179.9 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | F130 S203 V204 K220 | F130-S218 VanDerWaalsContact CE1-OG 3.29Å; F130-S218 WeakPolarHBondContact CE1-OG 3.28Å; S203-S218 VanDerWaalsContact CB-O 3.3Å; S203-S218 WeakPolarHBondContact CB-O 3.11Å; V204-S218 PolarHBondContact N-OG 3.44Å; V204-S218 VanDerWaalsContact O-CB 3.28Å; V204-S218 WeakPolarHBondContact O-CB 3.42Å; V204-S218 PolarHBondContact O-N 3.38Å; V204-S218 PolarHBondContact O-OG 2.05Å; V204-S218 VanDerWaalsContact O-OG 3.07Å; S218-K220 PolarHBondContact O-N 3.37Å |
| 219 | P | 93.1 | Very high | 86 | Confident | 112 Ų | 112 | 81 Ų | 81 | 73% | 0.727 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 137.1 | 172.9 | -24.9 | 35 | 0 | 0 | 0 | 111.6 | Q221 | P219-Q221 PolarHBondContact O-N 3.05Š|
| 220 | K | 92.3 | Very high | 85.4 | Confident | 117 Ų | 117 | 86.2 Ų | 86.2 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 117 | -180 | -67.3 | -178.2 | -180 | -173.7 | 0 | 110.2 | E164 C201 I202 S218 | E164-K220 IonicContact OE1-NZ 3.56Å; E164-K220 PolarHBondContact OE1-NZ 3.36Å; E164-K220 WeakPolarHBondContact OE2-CE 3.45Å; E164-K220 IonicContact OE2-NZ 3.33Å; E164-K220 PolarHBondContact OE2-NZ 3.49Å; C201-K220 HydrophobicContact CB-CB 4.44Å; I202-K220 WeakPolarHBondContact O-CA 3.49Å; S218-K220 PolarHBondContact O-N 3.37Å |
| 221 | Q | 93.8 | Very high | 85.4 | Confident | 77 Ų | 77 | 90.3 Ų | 90.3 | 36% | 0.36 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.7 | 169.1 | -169.1 | 178.6 | 1.8 | 0 | 0 | 108.7 | F130 L132 C201 I202 P219 | F130-Q221 HydrophobicContact CE2-CB 3.76Å; F130-Q221 HydrophobicContact CZ-CB 3.6Å; L132-Q221 HydrophobicContact CD1-CB 4.02Å; L132-Q221 HydrophobicContact CD1-CG 3.86Å; L132-Q221 WeakPolarHBondContact CD1-O 3.47Å; L132-Q221 HydrophobicContact CG-CG 4.36Å; C201-Q221 WeakPolarHBondContact CA-O 3.43Å; I202-Q221 PolarHBondContact N-O 3.03Å; I202-Q221 PolarHBondContact O-N 2.62Å; P219-Q221 PolarHBondContact O-N 3.05Å |
| 222 | C | 92.9 | Very high | 85.7 | Confident | 58 Ų | 58 | 93.4 Ų | 93.4 | 39% | 0.392 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.5 | -176.7 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | N199 Y200 C201 | N199-C222 WeakPolarHBondContact OD1-CB 3.32Å; Y200-C222 CarbonylContact O-C 3.57Å; Y200-C222 WeakPolarHBondContact O-CA 3.16Å; C201-C222 HydrophobicContact CB-CB 4.08Å; C201-C222 WeakPolarHBondContact CB-SG 3.46Å; C201-C222 WeakPolarHBondContact SG-CB 3.35Å; C201-C222 CovalentContact SG-SG 2.04Å; C201-C222 PolarHBondContact SG-SG 3.02Å |
| 223 | Q | 93.1 | Very high | 86.3 | Confident | 74 Ų | 74 | 87.9 Ų | 87.9 | 35% | 0.346 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 125.9 | 179.7 | -173.1 | 60.5 | 55.6 | 0 | 0 | 110.2 | L132 A134 L139 N199 Y200 | L132-Q223 HydrophobicContact CD1-CB 4.14Å; A134-Q223 HydrophobicContact CB-CG 3.65Å; L139-Q223 HydrophobicContact CD1-CB 4.4Å; N199-Q223 PolarHBondContact OD1-N 2.99Å; N199-Q223 PolarHBondContact OD1-O 2.87Å; Y200-Q223 PolarHBondContact N-O 2.86Å; Y200-Q223 PolarHBondContact O-N 3.25Å |
| 224 | L | 92.3 | Very high | 86.4 | Confident | 102 Ų | 102 | 88.8 Ų | 88.8 | 53% | 0.534 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.1 | 168.4 | -175.5 | 66 | 0 | 0 | 0 | 109.1 | N199 | N199-L224 HydrophobicContact CB-CD1 4.24Å |
| 225 | L | 91.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 85.2 Ų | 85.2 | 1% | 0.005 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 128.4 | 171 | -88.9 | 57.1 | 0 | 0 | 0 | 109.2 | A134 T135 L194 G197 K198 Y200 | A134-L225 HydrophobicContact CB-CD1 3.94Å; A134-L225 HydrophobicContact CB-CG 4.21Å; T135-L225 WeakPolarHBondContact O-CG 3.48Å; L194-L225 HydrophobicContact CB-CD2 3.5Å; L194-L225 VanDerWaalsContact CB-CD2 3.5Å; L194-L225 HydrophobicContact CD1-CD2 4Å; L194-L225 HydrophobicContact CG-CD2 4.41Å; G197-L225 WeakPolarHBondContact CA-O 3.3Å; G197-L225 PolarHBondContact N-O 3.18Å; K198-L225 PolarHBondContact O-N 3.15Å; Y200-L225 HydrophobicContact CD2-CD1 3.75Å; Y200-L225 HydrophobicContact CD2-CD2 4.1Å; Y200-L225 HydrophobicContact CD2-CG 4.43Å; Y200-L225 HydrophobicContact CE2-CD1 4.42Å; Y200-L225 HydrophobicContact CE2-CD2 3.93Å; Y200-L225 HydrophobicContact CG-CD1 4.5Å |
| 226 | P | 86.7 | Confident | 86.4 | Confident | 54 Ų | 54 | 88.3 Ų | 88.3 | 35% | 0.351 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 156.1 | 177.7 | 27.8 | -35.2 | 0 | 0 | 0 | 111 | S136 W196 | S136-P226 WeakPolarHBondContact CA-O 3.32Å; W196-P226 WeakPolarHBondContact CB-O 3.39Å |
| 227 | E | 83.3 | Confident | 86.4 | Confident | 129 Ų | 129 | 84.6 Ų | 84.6 | 60% | 0.603 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 159.5 | 169.9 | -61.9 | -169.3 | 163.1 | 0 | 0 | 110.8 | E229 | E227-E229 PolarHBondContact O-N 2.87Š|
| 228 | Q | 77.7 | Confident | 86.5 | Confident | 84 Ų | 84 | 86.6 Ų | 86.6 | 39% | 0.393 | 45% | 0.45 | S | S | . | . | trans | -74.2 | 90.5 | -175.5 | -172.3 | 170.2 | -2.6 | 0 | 0 | 110.9 | F230 Y231 | Q228-F230 HydrophobicContact CG-CB 4.31Å; Q228-F230 PolarHBondContact O-N 3.09Å; Q228-F230 VanDerWaalsContact O-N 3.08Å; Q228-Y231 VanDerWaalsContact O-CB 3.3Å; Q228-Y231 WeakPolarHBondContact O-CB 3.3Å; Q228-Y231 PolarHBondContact O-N 3.14Å | ||
| 229 | E | 71.4 | Confident | 86.4 | Confident | 130 Ų | 130 | 89.1 Ų | 89.1 | 61% | 0.607 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -51.3 | -35.2 | -178.8 | -62.4 | -178.5 | 170.4 | 0 | 0 | 113.1 | E227 Y231 I232 I233 | E227-E229 PolarHBondContact O-N 2.87Å; E229-Y231 PolarHBondContact O-N 2.81Å; E229-I232 PolarHBondContact O-N 2.82Å; E229-I232 VanDerWaalsContact O-N 3.08Å; E229-I233 WeakPolarHBondContact O-CG1 3.36Å; E229-I233 PolarHBondContact O-N 2.76Å |
| 230 | F | 70.8 | Confident | 86.6 | Confident | 157 Ų | 157 | 89 Ų | 89 | 69% | 0.689 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -56.7 | -32.8 | 173.5 | -75.7 | -80.3 | 0 | 0 | 0 | 114 | Q228 A234 | Q228-F230 HydrophobicContact CG-CB 4.31Å; Q228-F230 PolarHBondContact O-N 3.09Å; Q228-F230 VanDerWaalsContact O-N 3.08Å; F230-A234 WeakPolarHBondContact O-CB 3.49Å; F230-A234 PolarHBondContact O-N 2.87Å |
| 231 | Y | 74 | Confident | 86.7 | Confident | 170 Ų | 170 | 88.8 Ų | 88.8 | 67% | 0.667 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.5 | -44.5 | 175.2 | -177.4 | -99 | 0 | 0 | 0 | 110.7 | Q228 E229 I233 A234 V235 | Q228-Y231 VanDerWaalsContact O-CB 3.3Å; Q228-Y231 WeakPolarHBondContact O-CB 3.3Å; Q228-Y231 PolarHBondContact O-N 3.14Å; E229-Y231 PolarHBondContact O-N 2.81Å; Y231-I233 PolarHBondContact O-N 3.3Å; Y231-A234 PolarHBondContact O-N 2.77Å; Y231-V235 HydrophobicContact CD1-CG2 4.28Å; Y231-V235 HydrophobicContact CD2-CG2 4.48Å; Y231-V235 HydrophobicContact CE1-CG2 3.92Å; Y231-V235 HydrophobicContact CE2-CG2 4.14Å; Y231-V235 WeakPolarHBondContact O-CB 3.27Å; Y231-V235 VanDerWaalsContact O-CG2 3.3Å; Y231-V235 WeakPolarHBondContact O-CG2 3.33Å; Y231-V235 PolarHBondContact O-N 2.87Å |
| 232 | I | 76.9 | Confident | 86.9 | Confident | 90 Ų | 90 | 89.2 Ų | 89.2 | 46% | 0.462 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 177.3 | -54.9 | 176.6 | 0 | 0 | 0 | 110.1 | E229 T236 | E229-I232 PolarHBondContact O-N 2.82Å; E229-I232 VanDerWaalsContact O-N 3.08Å; I232-T236 WeakPolarHBondContact O-CB 3.39Å; I232-T236 WeakPolarHBondContact O-CG2 3.36Å; I232-T236 PolarHBondContact O-N 2.8Å; I232-T236 PolarHBondContact O-OG1 2.93Å |
| 233 | I | 81.6 | Confident | 87 | Confident | 99 Ų | 99 | 91.3 Ų | 91.3 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 178 | -64.6 | 165.3 | 0 | 0 | 0 | 111.1 | E229 Y231 T236 S237 | E229-I233 WeakPolarHBondContact O-CG1 3.36Å; E229-I233 PolarHBondContact O-N 2.76Å; Y231-I233 PolarHBondContact O-N 3.3Å; I233-T236 WeakPolarHBondContact CA-OG1 3.32Å; I233-T236 PolarHBondContact O-OG1 2.98Å; I233-S237 VanDerWaalsContact O-CB 3.25Å; I233-S237 WeakPolarHBondContact O-CB 3.5Å; I233-S237 PolarHBondContact O-N 3.27Å; I233-S237 PolarHBondContact O-OG 3.18Å |
| 234 | A | 84 | Confident | 87.2 | Confident | 54 Ų | 54 | 93.2 Ų | 93.2 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F230 Y231 S237 L238 | F230-A234 WeakPolarHBondContact O-CB 3.49Å; F230-A234 PolarHBondContact O-N 2.87Å; Y231-A234 PolarHBondContact O-N 2.77Å; A234-S237 WeakPolarHBondContact CA-OG 3.44Å; A234-S237 PolarHBondContact O-OG 3.25Å; A234-S237 VanDerWaalsContact O-OG 3.13Å; A234-L238 VanDerWaalsContact O-CB 3.24Å; A234-L238 WeakPolarHBondContact O-CB 3.13Å; A234-L238 PolarHBondContact O-N 3.03Å |
| 235 | V | 89.3 | Confident | 87.4 | Confident | 65 Ų | 65 | 90.9 Ų | 90.9 | 39% | 0.394 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 178.5 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | Y231 S239 | Y231-V235 HydrophobicContact CD1-CG2 4.28Å; Y231-V235 HydrophobicContact CD2-CG2 4.48Å; Y231-V235 HydrophobicContact CE1-CG2 3.92Å; Y231-V235 HydrophobicContact CE2-CG2 4.14Å; Y231-V235 WeakPolarHBondContact O-CB 3.27Å; Y231-V235 VanDerWaalsContact O-CG2 3.3Å; Y231-V235 WeakPolarHBondContact O-CG2 3.33Å; Y231-V235 PolarHBondContact O-N 2.87Å; V235-S239 WeakPolarHBondContact O-CB 3.17Å; V235-S239 PolarHBondContact O-N 2.84Å; V235-S239 PolarHBondContact O-OG 3.27Å |
| 236 | T | 90.3 | Very high | 87.6 | Confident | 72 Ų | 72 | 95.3 Ų | 95.3 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.2 | -43.3 | 178.5 | 51.2 | 0 | 0 | 0 | 0 | 112.2 | I232 I233 S239 L240 | I232-T236 WeakPolarHBondContact O-CB 3.39Å; I232-T236 WeakPolarHBondContact O-CG2 3.36Å; I232-T236 PolarHBondContact O-N 2.8Å; I232-T236 PolarHBondContact O-OG1 2.93Å; I233-T236 WeakPolarHBondContact CA-OG1 3.32Å; I233-T236 PolarHBondContact O-OG1 2.98Å; T236-S239 PolarHBondContact O-N 2.94Å; T236-L240 WeakPolarHBondContact O-CG 3.32Å; T236-L240 PolarHBondContact O-N 3.04Å |
| 237 | S | 91.9 | Very high | 88 | Confident | 54 Ų | 54 | 96.2 Ų | 96.2 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.8 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | I233 A234 S239 L240 L241 | I233-S237 VanDerWaalsContact O-CB 3.25Å; I233-S237 WeakPolarHBondContact O-CB 3.5Å; I233-S237 PolarHBondContact O-N 3.27Å; I233-S237 PolarHBondContact O-OG 3.18Å; A234-S237 WeakPolarHBondContact CA-OG 3.44Å; A234-S237 PolarHBondContact O-OG 3.25Å; A234-S237 VanDerWaalsContact O-OG 3.13Å; S237-S239 VanDerWaalsContact C-N 3.34Å; S237-S239 PolarHBondContact O-N 2.94Å; S237-L240 PolarHBondContact O-N 2.83Å; S237-L241 WeakPolarHBondContact O-CG 3.25Å; S237-L241 PolarHBondContact O-N 3.27Å |
| 238 | L | 94.3 | Very high | 88.6 | Confident | 112 Ų | 112 | 92.5 Ų | 92.5 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 173.2 | -174.8 | 65.7 | 0 | 0 | 0 | 111.5 | A234 L240 L241 V242 | A234-L238 VanDerWaalsContact O-CB 3.24Å; A234-L238 WeakPolarHBondContact O-CB 3.13Å; A234-L238 PolarHBondContact O-N 3.03Å; L238-L240 PolarHBondContact O-N 3.29Å; L238-L241 PolarHBondContact O-N 2.93Å; L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 2.93Å |
| 239 | S | 94.5 | Very high | 89.4 | Confident | 60 Ų | 60 | 92.7 Ų | 92.7 | 42% | 0.42 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | V235 T236 S237 V242 I243 | V235-S239 WeakPolarHBondContact O-CB 3.17Å; V235-S239 PolarHBondContact O-N 2.84Å; V235-S239 PolarHBondContact O-OG 3.27Å; T236-S239 PolarHBondContact O-N 2.94Å; S237-S239 VanDerWaalsContact C-N 3.34Å; S237-S239 PolarHBondContact O-N 2.94Å; S239-V242 PolarHBondContact O-N 3.31Å; S239-I243 WeakPolarHBondContact O-CD1 3.43Å; S239-I243 VanDerWaalsContact O-CG1 3.29Å; S239-I243 WeakPolarHBondContact O-CG1 3.34Å; S239-I243 PolarHBondContact O-N 3.12Å |
| 240 | L | 95.6 | Very high | 90.5 | Very high | 109 Ų | 109 | 89.1 Ų | 89.1 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.9 | -39.4 | 175.3 | -72.9 | 168.5 | 0 | 0 | 0 | 112.5 | T236 S237 L238 I243 L244 | T236-L240 WeakPolarHBondContact O-CG 3.32Å; T236-L240 PolarHBondContact O-N 3.04Å; S237-L240 PolarHBondContact O-N 2.83Å; L238-L240 PolarHBondContact O-N 3.29Å; L240-I243 PolarHBondContact O-N 3.05Å; L240-L244 WeakPolarHBondContact O-CB 3.29Å; L240-L244 PolarHBondContact O-N 2.86Å |
| 241 | L | 95.9 | Very high | 91.5 | Very high | 114 Ų | 114 | 85.8 Ų | 85.8 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 175.1 | -73.5 | 171.5 | 0 | 0 | 0 | 112.1 | S237 L238 L244 A245 | S237-L241 WeakPolarHBondContact O-CG 3.25Å; S237-L241 PolarHBondContact O-N 3.27Å; L238-L241 PolarHBondContact O-N 2.93Å; L241-L244 PolarHBondContact O-N 2.97Å; L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 2.74Å |
| 242 | V | 96.4 | Very high | 92.3 | Very high | 85 Ų | 85 | 81.3 Ų | 81.3 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | L238 S239 A245 V246 | L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 2.93Å; S239-V242 PolarHBondContact O-N 3.31Å; V242-A245 PolarHBondContact O-N 3.08Å; V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 3.49Å |
| 243 | I | 96.6 | Very high | 93 | Very high | 102 Ų | 102 | 81.2 Ų | 81.2 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 176.9 | -67.4 | 162.8 | 0 | 0 | 0 | 110.9 | S239 L240 A245 V246 V247 | S239-I243 WeakPolarHBondContact O-CD1 3.43Å; S239-I243 VanDerWaalsContact O-CG1 3.29Å; S239-I243 WeakPolarHBondContact O-CG1 3.34Å; S239-I243 PolarHBondContact O-N 3.12Å; L240-I243 PolarHBondContact O-N 3.05Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 2.89Å; I243-V246 PolarHBondContact O-N 2.9Å; I243-V247 HydrophobicContact CG2-CG2 4.49Å; I243-V247 WeakPolarHBondContact O-CG2 3.45Å; I243-V247 PolarHBondContact O-N 2.69Å |
| 244 | L | 96.1 | Very high | 93.4 | Very high | 114 Ų | 114 | 81.2 Ų | 81.2 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.8 | -41 | 175.7 | -91.8 | 160 | 0 | 0 | 0 | 112.5 | L240 L241 V247 A248 | L240-L244 WeakPolarHBondContact O-CB 3.29Å; L240-L244 PolarHBondContact O-N 2.86Å; L241-L244 PolarHBondContact O-N 2.97Å; L244-V247 PolarHBondContact O-N 2.91Å; L244-A248 WeakPolarHBondContact O-CB 3.46Å; L244-A248 PolarHBondContact O-N 3.32Å |
| 245 | A | 96.1 | Very high | 93.4 | Very high | 53 Ų | 53 | 83.2 Ų | 83.2 | 44% | 0.438 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L241 V242 I243 A248 V249 | L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 2.74Å; V242-A245 PolarHBondContact O-N 3.08Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 2.89Å; A245-A248 PolarHBondContact O-N 2.83Å; A245-V249 WeakPolarHBondContact O-CG2 3.3Å; A245-V249 PolarHBondContact O-N 3.08Å |
| 246 | V | 95.9 | Very high | 93.3 | Very high | 94 Ų | 94 | 85.5 Ų | 85.5 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V242 I243 V249 A250 | V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 3.49Å; I243-V246 PolarHBondContact O-N 2.9Å; V246-V249 PolarHBondContact O-N 2.92Å; V246-A250 WeakPolarHBondContact O-CB 3.36Å; V246-A250 PolarHBondContact O-N 3.13Å |
| 247 | V | 96 | Very high | 92.8 | Very high | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111.2 | I243 L244 V249 A250 I251 | I243-V247 HydrophobicContact CG2-CG2 4.49Å; I243-V247 WeakPolarHBondContact O-CG2 3.45Å; I243-V247 PolarHBondContact O-N 2.69Å; L244-V247 PolarHBondContact O-N 2.91Å; V247-V249 PolarHBondContact O-N 3.15Å; V247-A250 PolarHBondContact O-N 2.94Å; V247-I251 HydrophobicContact CG1-CD1 3.81Å; V247-I251 HydrophobicContact CG1-CG1 4.48Å; V247-I251 VanDerWaalsContact O-CG1 3.3Å; V247-I251 WeakPolarHBondContact O-CG1 3.38Å; V247-I251 PolarHBondContact O-N 2.9Å |
| 248 | A | 95 | Very high | 92.2 | Very high | 51 Ų | 51 | 94.3 Ų | 94.3 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L244 A245 I251 C252 | L244-A248 WeakPolarHBondContact O-CB 3.46Å; L244-A248 PolarHBondContact O-N 3.32Å; A245-A248 PolarHBondContact O-N 2.83Å; A248-I251 PolarHBondContact O-N 3.34Å; A248-C252 WeakPolarHBondContact O-CB 3.41Å; A248-C252 PolarHBondContact O-N 2.84Å; A248-C252 PolarHBondContact O-SG 2.88Å; A248-C252 VanDerWaalsContact O-SG 3.32Å |
| 249 | V | 94.8 | Very high | 91.2 | Very high | 88 Ų | 88 | 99.4 Ų | 99.4 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.6 | 170 | 0 | 0 | 0 | 0 | 111.2 | A245 V246 V247 I251 C252 I253 | A245-V249 WeakPolarHBondContact O-CG2 3.3Å; A245-V249 PolarHBondContact O-N 3.08Å; V246-V249 PolarHBondContact O-N 2.92Å; V247-V249 PolarHBondContact O-N 3.15Å; V249-I251 VanDerWaalsContact C-N 3.35Å; V249-I251 PolarHBondContact O-N 3.5Å; V249-C252 PolarHBondContact O-N 3.24Å; V249-I253 HydrophobicContact CG1-CD1 3.73Å; V249-I253 HydrophobicContact CG1-CG1 4.39Å; V249-I253 WeakPolarHBondContact O-CB 3.24Å; V249-I253 VanDerWaalsContact O-CG1 3.28Å; V249-I253 WeakPolarHBondContact O-CG1 3.24Å; V249-I253 PolarHBondContact O-N 3.27Å |
| 250 | A | 93.6 | Very high | 89.7 | Confident | 54 Ų | 54 | 106.9 Ų | 106.9 | 45% | 0.446 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.6 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V246 V247 I253 L254 | V246-A250 WeakPolarHBondContact O-CB 3.36Å; V246-A250 PolarHBondContact O-N 3.13Å; V247-A250 PolarHBondContact O-N 2.94Å; A250-I253 PolarHBondContact O-N 2.69Å; A250-L254 WeakPolarHBondContact O-CB 3.34Å; A250-L254 PolarHBondContact O-N 3.01Å |
| 251 | I | 93.7 | Very high | 87.9 | Confident | 88 Ų | 88 | 107.5 Ų | 107.5 | 45% | 0.451 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.8 | -44.6 | 173.9 | -68.6 | 165.7 | 0 | 0 | 0 | 110.7 | V247 A248 V249 I253 L254 L255 | V247-I251 HydrophobicContact CG1-CD1 3.81Å; V247-I251 HydrophobicContact CG1-CG1 4.48Å; V247-I251 VanDerWaalsContact O-CG1 3.3Å; V247-I251 WeakPolarHBondContact O-CG1 3.38Å; V247-I251 PolarHBondContact O-N 2.9Å; A248-I251 PolarHBondContact O-N 3.34Å; V249-I251 VanDerWaalsContact C-N 3.35Å; V249-I251 PolarHBondContact O-N 3.5Å; I251-I253 PolarHBondContact O-N 3.34Å; I251-L254 PolarHBondContact O-N 3.35Å; I251-L255 HydrophobicContact CG2-CD1 3.92Å; I251-L255 HydrophobicContact CG2-CG 4.28Å; I251-L255 WeakPolarHBondContact O-CB 3.27Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.37Å; I251-L255 PolarHBondContact O-N 3.49Å |
| 252 | C | 90.7 | Very high | 86.2 | Confident | 76 Ų | 76 | 106.5 Ų | 106.5 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.8 | -44.5 | 175.9 | -75.1 | 0 | 0 | 0 | 0 | 112.1 | A248 V249 L255 V256 | A248-C252 WeakPolarHBondContact O-CB 3.41Å; A248-C252 PolarHBondContact O-N 2.84Å; A248-C252 PolarHBondContact O-SG 2.88Å; A248-C252 VanDerWaalsContact O-SG 3.32Å; V249-C252 PolarHBondContact O-N 3.24Å; C252-L255 PolarHBondContact O-N 3.43Å; C252-V256 WeakPolarHBondContact O-CG2 3.23Å; C252-V256 PolarHBondContact O-N 2.93Å |
| 253 | I | 90.4 | Very high | 84.2 | Confident | 87 Ų | 87 | 112.2 Ų | 112.2 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.8 | -47.1 | 175.1 | -70.8 | 167.9 | 0 | 0 | 0 | 110.3 | V249 A250 I251 L255 V256 Y257 | V249-I253 HydrophobicContact CG1-CD1 3.73Å; V249-I253 HydrophobicContact CG1-CG1 4.39Å; V249-I253 WeakPolarHBondContact O-CB 3.24Å; V249-I253 VanDerWaalsContact O-CG1 3.28Å; V249-I253 WeakPolarHBondContact O-CG1 3.24Å; V249-I253 PolarHBondContact O-N 3.27Å; A250-I253 PolarHBondContact O-N 2.69Å; I251-I253 PolarHBondContact O-N 3.34Å; I253-L255 VanDerWaalsContact C-N 3.35Å; I253-L255 PolarHBondContact O-N 2.98Å; I253-V256 PolarHBondContact O-N 2.91Å; I253-Y257 HydrophobicContact CG2-CD2 3.66Å; I253-Y257 HydrophobicContact CG2-CE2 3.46Å; I253-Y257 VanDerWaalsContact CG2-CE2 3.46Å; I253-Y257 VanDerWaalsContact O-CD2 3.23Å; I253-Y257 WeakPolarHBondContact O-CD2 3.47Å; I253-Y257 PolarHBondContact O-N 3.45Å |
| 254 | L | 89.4 | Confident | 82.3 | Confident | 99 Ų | 99 | 113 Ų | 113 | 52% | 0.518 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.2 | -42.6 | 176.6 | -178 | 63.6 | 0 | 0 | 0 | 111.9 | A250 I251 V256 Y257 L258 | A250-L254 WeakPolarHBondContact O-CB 3.34Å; A250-L254 PolarHBondContact O-N 3.01Å; I251-L254 PolarHBondContact O-N 3.35Å; L254-V256 VanDerWaalsContact C-N 3.34Å; L254-V256 PolarHBondContact O-N 3.46Å; L254-Y257 PolarHBondContact O-N 2.91Å; L254-L258 HydrophobicContact CD1-CD1 4.05Å; L254-L258 HydrophobicContact CD1-CG 4.12Å; L254-L258 HydrophobicContact CD2-CD1 4.46Å; L254-L258 HydrophobicContact CG-CD1 3.83Å; L254-L258 HydrophobicContact CG-CG 4.3Å; L254-L258 WeakPolarHBondContact O-CB 3.28Å; L254-L258 VanDerWaalsContact O-CG 3.24Å; L254-L258 WeakPolarHBondContact O-CG 3.35Å; L254-L258 PolarHBondContact O-N 3.29Å |
| 255 | L | 85.9 | Confident | 80.4 | Confident | 97 Ų | 97 | 112.3 Ų | 112.3 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.3 | -35.5 | 176 | -72.1 | 171.9 | 0 | 0 | 0 | 112.6 | I251 C252 I253 R259 | I251-L255 HydrophobicContact CG2-CD1 3.92Å; I251-L255 HydrophobicContact CG2-CG 4.28Å; I251-L255 WeakPolarHBondContact O-CB 3.27Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.37Å; I251-L255 PolarHBondContact O-N 3.49Å; C252-L255 PolarHBondContact O-N 3.43Å; I253-L255 VanDerWaalsContact C-N 3.35Å; I253-L255 PolarHBondContact O-N 2.98Å; L255-R259 WeakPolarHBondContact O-CB 3.44Å; L255-R259 WeakPolarHBondContact O-CG 3.47Å; L255-R259 PolarHBondContact O-N 2.9Å |
| 256 | V | 85.8 | Confident | 78.5 | Confident | 112 Ų | 112 | 115.7 Ų | 115.7 | 68% | 0.679 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.3 | -46.2 | 173.3 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | C252 I253 L254 R259 | C252-V256 WeakPolarHBondContact O-CG2 3.23Å; C252-V256 PolarHBondContact O-N 2.93Å; I253-V256 PolarHBondContact O-N 2.91Å; L254-V256 VanDerWaalsContact C-N 3.34Å; L254-V256 PolarHBondContact O-N 3.46Å; V256-R259 PolarHBondContact O-N 3.27Å |
| 257 | Y | 80.6 | Confident | 76.7 | Confident | 187 Ų | 187 | 115.6 Ų | 115.6 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.1 | -43.2 | 175.7 | -79.4 | -65.3 | 0 | 0 | 0 | 112.6 | I253 L254 R259 | I253-Y257 HydrophobicContact CG2-CD2 3.66Å; I253-Y257 HydrophobicContact CG2-CE2 3.46Å; I253-Y257 VanDerWaalsContact CG2-CE2 3.46Å; I253-Y257 VanDerWaalsContact O-CD2 3.23Å; I253-Y257 WeakPolarHBondContact O-CD2 3.47Å; I253-Y257 PolarHBondContact O-N 3.45Å; L254-Y257 PolarHBondContact O-N 2.91Å; Y257-R259 VanDerWaalsContact C-N 3.33Å; Y257-R259 PolarHBondContact O-N 2.97Å |
| 258 | L | 79.7 | Confident | 74.6 | Confident | 124 Ų | 124 | 119.8 Ų | 119.8 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.1 | -25.3 | -179.7 | -70.9 | 175.8 | 0 | 0 | 0 | 113.4 | L254 R260 | L254-L258 HydrophobicContact CD1-CD1 4.05Å; L254-L258 HydrophobicContact CD1-CG 4.12Å; L254-L258 HydrophobicContact CD2-CD1 4.46Å; L254-L258 HydrophobicContact CG-CD1 3.83Å; L254-L258 HydrophobicContact CG-CG 4.3Å; L254-L258 WeakPolarHBondContact O-CB 3.28Å; L254-L258 VanDerWaalsContact O-CG 3.24Å; L254-L258 WeakPolarHBondContact O-CG 3.35Å; L254-L258 PolarHBondContact O-N 3.29Å; L258-R260 PolarHBondContact O-N 3.37Å |
| 259 | R | 71.8 | Confident | 72.2 | Confident | 220 Ų | 220 | 125.8 Ų | 125.8 | 83% | 0.83 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -15.6 | 179.5 | -91.2 | -171.9 | 171.1 | -173.5 | -0.9 | 115 | L255 V256 Y257 | L255-R259 WeakPolarHBondContact O-CB 3.44Å; L255-R259 WeakPolarHBondContact O-CG 3.47Å; L255-R259 PolarHBondContact O-N 2.9Å; V256-R259 PolarHBondContact O-N 3.27Å; Y257-R259 VanDerWaalsContact C-N 3.33Å; Y257-R259 PolarHBondContact O-N 2.97Å |
| 260 | R | 63.5 | Low | 70.1 | Confident | 216 Ų | 216 | 126.9 Ų | 126.9 | 82% | 0.815 | 68% | 0.682 | S | S | * | * | trans | 57.5 | 154.5 | -177.6 | -78.1 | -164.9 | -178.3 | -152.5 | 2.4 | 115 | L258 A262 | L258-R260 PolarHBondContact O-N 3.37Å; R260-A262 PolarHBondContact O-N 3.43Å | ||
| 261 | P | 57.5 | Low | 67.9 | Low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 138.3 | 177.4 | 26 | -34.7 | 0 | 0 | 0 | 111 | ||
| 262 | A | 61.1 | Low | 65.7 | Low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 145.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | R260 T264 | R260-A262 PolarHBondContact O-N 3.43Å; A262-T264 PolarHBondContact O-N 3.27Å |
| 263 | K | 54.8 | Low | 63.5 | Low | 205 Ų | 205 | 133.8 Ų | 133.8 | 89% | 0.891 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 124.2 | 179.8 | -63.4 | 174.5 | -178.6 | 175.8 | 0 | 109.6 | ||
| 264 | T | 55.4 | Low | 61.4 | Low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 134.9 | 173.7 | 42.2 | 0 | 0 | 0 | 0 | 109.2 | A262 | A262-T264 PolarHBondContact O-N 3.27Š|
| 265 | P | 56.1 | Low | 59.1 | Low | 101 Ų | 101 | 139.3 Ų | 139.3 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62 | 144.7 | 176 | 25.5 | -32.9 | 0 | 0 | 0 | 109.8 | A267 | P265-A267 PolarHBondContact O-N 2.94Š|
| 266 | V | 55.9 | Low | 57.2 | Low | 123 Ų | 123 | 143.5 Ų | 143.5 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -61.4 | -10.1 | -170.7 | 179 | 0 | 0 | 0 | 0 | 113.7 | L268 K269 | V266-L268 PolarHBondContact O-N 3.39Å; V266-L268 VanDerWaalsContact O-N 3.08Å; V266-K269 PolarHBondContact O-N 2.93Å; V266-K269 VanDerWaalsContact O-N 3.12Å |
| 267 | A | 58.1 | Low | 55.3 | Low | 93 Ų | 93 | 143.7 Ų | 143.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -62.4 | -9.4 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | P265 | P265-A267 PolarHBondContact O-N 2.94Š|
| 268 | L | 52.2 | Low | 53.3 | Low | 161 Ų | 161 | 142.6 Ų | 142.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -109.7 | 22.1 | 173.7 | -74.7 | 170.8 | 0 | 0 | 0 | 113.9 | V266 S270 | V266-L268 PolarHBondContact O-N 3.39Å; V266-L268 VanDerWaalsContact O-N 3.08Å; L268-S270 PolarHBondContact O-N 3.39Å |
| 269 | K | 44.4 | Very low | 51.4 | Low | 178 Ų | 178 | 142 Ų | 142 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | -72.8 | 108 | 156.9 | -111.7 | -178.6 | 175.8 | -177.5 | 0 | 108 | V266 | V266-K269 PolarHBondContact O-N 2.93Å; V266-K269 VanDerWaalsContact O-N 3.12Å | ||
| 270 | S | 52.3 | Low | 50.1 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 127.1 | 170.4 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | L268 | L268-S270 PolarHBondContact O-N 3.39Š|
| 271 | P | 47.3 | Very low | 49.1 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 144.4 | 173 | 26.8 | -32.4 | 0 | 0 | 0 | 109.5 | S273 | P271-S273 PolarHBondContact O-N 3.03Š|
| 272 | V | 47.1 | Very low | 48.9 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 129.5 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | G274 | V272-G274 VanDerWaalsContact C-N 3.29Å; V272-G274 PolarHBondContact O-N 2.99Å |
| 273 | S | 45.1 | Very low | 48 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -67.6 | 87.1 | 173.9 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | P271 W275 | P271-S273 PolarHBondContact O-N 3.03Å; S273-W275 PolarHBondContact O-N 3.36Å | ||
| 274 | G | 45.8 | Very low | 47.6 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -70.2 | 68 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V272 | V272-G274 VanDerWaalsContact C-N 3.29Å; V272-G274 PolarHBondContact O-N 2.99Å | ||
| 275 | W | 41.7 | Very low | 47.1 | Very low | 225 Ų | 225 | 132.1 Ų | 132.1 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -110.1 | 92.7 | 167.6 | -83.5 | 88.1 | 0 | 0 | 0 | 107.7 | S273 P277 | S273-W275 PolarHBondContact O-N 3.36Å; W275-P277 WeakPolarHBondContact O-CD 3.39Å | ||
| 276 | E | 45.6 | Very low | 46.6 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -73.7 | 116.7 | 154.9 | -72.6 | -174.1 | 142.9 | 0 | 0 | 107.1 | L278 | E276-L278 PolarHBondContact O-N 3.27Š| ||
| 277 | P | 44.6 | Very low | 46.2 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -69 | 120.4 | 170.9 | 28.1 | -31.4 | 0 | 0 | 0 | 108.3 | W275 S279 | W275-P277 WeakPolarHBondContact O-CD 3.39Å; P277-S279 PolarHBondContact O-N 2.95Å | ||
| 278 | L | 38.5 | Very low | 45.3 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -49.8 | 114.6 | 166.5 | -85.2 | 156.4 | 0 | 0 | 0 | 108.8 | E276 V280 | E276-L278 PolarHBondContact O-N 3.27Å; L278-V280 VanDerWaalsContact C-N 3.31Å; L278-V280 PolarHBondContact O-N 3.48Å | ||
| 279 | S | 41.8 | Very low | 45.3 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -69.6 | 90.7 | 173.9 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | P277 T281 | P277-S279 PolarHBondContact O-N 2.95Å; S279-T281 PolarHBondContact O-N 3.32Å | ||
| 280 | V | 44.4 | Very low | 45.4 | Very low | 125 Ų | 125 | 128 Ų | 128 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | trans | -62.6 | 107.4 | 169.6 | 178.2 | 0 | 0 | 0 | 0 | 107.2 | L278 | L278-V280 VanDerWaalsContact C-N 3.31Å; L278-V280 PolarHBondContact O-N 3.48Å | ||
| 281 | T | 41.2 | Very low | 45.2 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -60.2 | 135.1 | 172.9 | 43.7 | 0 | 0 | 0 | 0 | 109.9 | S279 G283 | S279-T281 PolarHBondContact O-N 3.32Å; T281-G283 PolarHBondContact O-N 3.48Å; T281-G283 VanDerWaalsContact O-N 3.08Å | ||
| 282 | E | 52.7 | Low | 44.9 | Very low | 206 Ų | 206 | 127 Ų | 127 | 96% | 0.963 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -56.1 | 109.1 | -172.5 | -166.1 | 161.3 | -169.7 | 0 | 0 | 112.2 | ||
| 283 | G | 43.2 | Very low | 44.7 | Very low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 72% | 0.723 | S | S | * | * | trans | -153.7 | 138.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T281 L285 | T281-G283 PolarHBondContact O-N 3.48Å; T281-G283 VanDerWaalsContact O-N 3.08Å; G283-L285 PolarHBondContact O-N 3.29Å; G283-L285 VanDerWaalsContact O-N 3.14Å | ||
| 284 | S | 45.6 | Very low | 44.5 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | -59.7 | 114.3 | -176.6 | 47 | 0 | 0 | 0 | 0 | 111.4 | E286 | S284-E286 PolarHBondContact O-N 2.93Š| ||
| 285 | L | 44.6 | Very low | 44.1 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -78 | 103.8 | 178.5 | -151.7 | 89.6 | 0 | 0 | 0 | 109.9 | G283 V287 | G283-L285 PolarHBondContact O-N 3.29Å; G283-L285 VanDerWaalsContact O-N 3.14Å; L285-V287 HydrophobicContact CD2-CG2 4.27Å; L285-V287 PolarHBondContact O-N 2.85Å | ||
| 286 | E | 46.4 | Very low | 44 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | -75.6 | 103.1 | 174.2 | -70.4 | -176.4 | -178.9 | 0 | 0 | 110.5 | S284 V288 W293 | S284-E286 PolarHBondContact O-N 2.93Å; E286-V288 PolarHBondContact O-N 3.47Å; E286-W293 HydrophobicContact CB-CZ3 4.21Å; E286-W293 HydrophobicContact CG-CZ3 4.24Å | ||
| 287 | V | 47.4 | Very low | 43.7 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 60% | 0.6 | 74% | 0.736 | S | S | * | * | trans | -86.6 | 95.4 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | L285 T289 | L285-V287 HydrophobicContact CD2-CG2 4.27Å; L285-V287 PolarHBondContact O-N 2.85Å; V287-T289 HydrophobicContact CG1-CG2 4.26Å; V287-T289 PolarHBondContact O-N 3.32Å | ||
| 288 | V | 39.2 | Very low | 43.3 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | trans | -79 | 106.1 | 174.5 | -177 | 0 | 0 | 0 | 0 | 109.8 | E286 W293 | E286-V288 PolarHBondContact O-N 3.47Å; V288-W293 HydrophobicContact CG2-CH2 4.16Å; V288-W293 HydrophobicContact CG2-CZ3 4.24Å | ||
| 289 | T | 53.2 | Low | 43.1 | Very low | 80 Ų | 80 | 137 Ų | 137 | 49% | 0.491 | 74% | 0.743 | S | S | . | * | trans | -104.9 | 160.6 | 161.9 | 62 | 0 | 0 | 0 | 0 | 109.9 | V287 K291 | V287-T289 HydrophobicContact CG1-CG2 4.26Å; V287-T289 PolarHBondContact O-N 3.32Å; T289-K291 PolarHBondContact O-N 2.83Å | ||
| 290 | D | 46.8 | Very low | 43.1 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 11.3 | -176.2 | 66.4 | -54 | 0 | 0 | 0 | 114.7 | ||
| 291 | K | 46.1 | Very low | 42.6 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | 9.8 | -175 | -58.8 | -65.2 | 167.4 | -172.9 | 0 | 115.9 | T289 | T289-K291 PolarHBondContact O-N 2.83Š|
| 292 | G | 42.1 | Very low | 42.1 | Very low | 34 Ų | 34 | 136 Ų | 136 | 35% | 0.351 | 74% | 0.744 | S | S | . | * | trans | 115.1 | 173.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 293 | W | 43.7 | Very low | 41.1 | Very low | 182 Ų | 182 | 136 Ų | 136 | 69% | 0.689 | 74% | 0.741 | S | S | * | * | trans | -92.2 | 138.2 | -163.8 | -52.7 | 84.1 | 0 | 0 | 0 | 113.5 | E286 V288 | E286-W293 HydrophobicContact CB-CZ3 4.21Å; E286-W293 HydrophobicContact CG-CZ3 4.24Å; V288-W293 HydrophobicContact CG2-CH2 4.16Å; V288-W293 HydrophobicContact CG2-CZ3 4.24Å | ||
| 294 | F | 39.2 | Very low | 41.1 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 90% | 0.895 | 75% | 0.75 | S | S | * | * | trans | -132.3 | 134.9 | 167.6 | -77 | -87.4 | 0 | 0 | 0 | 110.8 | ||||
| 295 | L | 38.8 | Very low | 40.3 | Very low | 171 Ų | 171 | 139 Ų | 139 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | trans | -107.3 | 121.8 | 174 | -78.6 | 162.3 | 0 | 0 | 0 | 109.5 | ||||
| 296 | S | 39.9 | Very low | 39.6 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -108.5 | 115 | 172.6 | -175 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 297 | G | 39.3 | Very low | 38.7 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | -104.6 | 123 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 298 | Y | 36.1 | Very low | 37.8 | Very low | 218 Ų | 218 | 138.2 Ų | 138.2 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -93 | 138.8 | 173.9 | -156 | -98.3 | 0 | 0 | 0 | 110.1 | ||||
| 299 | R | 34.5 | Very low | 37.9 | Very low | 236 Ų | 236 | 137.8 Ų | 137.8 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -112 | 127.3 | 169.9 | -97.1 | -171.2 | 175.2 | -177.3 | -0.7 | 109.4 | ||||
| 300 | P | 40.5 | Very low | 36.8 | Very low | 95 Ų | 95 | 142 Ų | 142 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | trans | -85.6 | 148.6 | 170.9 | 35.9 | -33.7 | 0 | 0 | 0 | 111.4 | ||||
| 301 | D | 34 | Very low | 35.9 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | 150.2 | 146.3 | 126.2 | -79.1 | -26.9 | 0 | 0 | 0 | 113.5 | |||||
| 302 | G | 31.5 | Very low | 34.9 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 116.4 | 80 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 303 | K | 30.2 | Very low | 34.3 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -93.5 | 168.2 | 146.4 | -83.7 | -177.4 | 178.5 | 176 | 0 | 108.6 | ||||
| 304 | P | 43.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | cis | -133 | 177.4 | 7.7 | 35.6 | -15 | 0 | 0 | 0 | 117 | ||||
| 305 | A | 28.8 | Very low | 33.2 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -29.5 | 146.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 306 | A | 29.1 | Very low | 32.9 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | -168.2 | 153.9 | 124 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 307 | S | 27.9 | Very low | 32.5 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 55.6 | 109.9 | 156.8 | 54.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 308 | L | 29.1 | Very low | 32.1 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -50.4 | 169.9 | 140.2 | -80.3 | 162.4 | 0 | 0 | 0 | 112.6 | ||||
| 309 | P | 42 | Very low | 31.7 | Very low | 100 Ų | 100 | 135 Ų | 135 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | cis | -138.8 | 179.5 | 22.5 | 42 | -23.1 | 0 | 0 | 0 | 117.4 | ||||
| 310 | E | 29 | Very low | 31.5 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 32.2 | 135.8 | 142.2 | -66.4 | 174.1 | 135.3 | 0 | 0 | 119.7 | ||||
| 311 | T | 27.6 | Very low | 31 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | -154.6 | 147.4 | 82.8 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 312 | S | 26 | Very low | 30.9 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -46.4 | 158.5 | 176.1 | 53.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 313 | L | 29.3 | Very low | 31 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | -157 | 127.5 | 116 | -108.5 | 160.8 | 0 | 0 | 0 | 112 | |||||
| 314 | T | 30 | Very low | 31.1 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -106.7 | 124.1 | 178.4 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 315 | I | 29.8 | Very low | 30.9 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 80% | 0.795 | 77% | 0.767 | S | S | * | * | trans | -150.5 | 96.9 | 160 | -50.6 | -179.5 | 0 | 0 | 0 | 104.2 | ||||
| 316 | I | 31.8 | Very low | 30.9 | Very low | 134 Ų | 134 | 144 Ų | 144 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | 61 | 116 | 79 | -58.8 | -177.9 | 0 | 0 | 0 | 113 | |||||
| 317 | E | 32.6 | Very low | 31.2 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | 17.2 | 144.3 | 149 | -62.9 | 163.9 | 151.7 | 0 | 0 | 119 | ||||
| 318 | D | 29.7 | Very low | 31.6 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | cis | -163.8 | 170.6 | 35.6 | -148.8 | -15.5 | 0 | 0 | 0 | 111.3 | ||||
| 319 | G | 29 | Very low | 31.8 | Very low | 60 Ų | 60 | 146 Ų | 146 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | trans | 128.7 | 102.9 | 157 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 320 | E | 29.2 | Very low | 31.6 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 84.7 | 129.5 | 138.6 | -59.3 | -171.1 | 163.6 | 0 | 0 | 122.7 | ||||
| 321 | E | 30.5 | Very low | 31.9 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 97.1 | 146.1 | 135.3 | -89.8 | -170 | 177.9 | 0 | 0 | 125 | ||||
| 322 | E | 31.2 | Very low | 32.3 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 59% | 0.589 | 77% | 0.772 | S | S | * | * | trans | 58.6 | 117 | 161.5 | -68.1 | -148.4 | 119.2 | 0 | 0 | 122.8 | R324 | E322-R324 IonicContact OE2-CZ 3.22Å; E322-R324 VanDerWaalsContact OE2-CZ 3.22Å; E322-R324 IonicContact OE2-NH1 3.07Å; E322-R324 PolarHBondContact OE2-NH1 3.32Å; E322-R324 IonicContact OE2-NH2 2.77Å; E322-R324 PolarHBondContact OE2-NH2 3.46Å | ||
| 323 | N | 33.6 | Very low | 32.7 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | -13.1 | 140.1 | 129.6 | -75.8 | -54.6 | 0 | 0 | 0 | 116.1 | |||||
| 324 | R | 33.9 | Very low | 33 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 75% | 0.751 | 77% | 0.767 | S | S | * | * | -153.8 | 116.8 | 129.9 | -111.1 | 160.7 | -155.8 | 85.8 | 0.2 | 112.3 | E322 | E322-R324 IonicContact OE2-CZ 3.22Å; E322-R324 VanDerWaalsContact OE2-CZ 3.22Å; E322-R324 IonicContact OE2-NH1 3.07Å; E322-R324 PolarHBondContact OE2-NH1 3.32Å; E322-R324 IonicContact OE2-NH2 2.77Å; E322-R324 PolarHBondContact OE2-NH2 3.46Å | |||
| 325 | R | 38.4 | Very low | 33.2 | Very low | 230 Ų | 230 | 143.6 Ų | 143.6 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -75.4 | 151.3 | 156.2 | -69.2 | 176.2 | 167.5 | 123.8 | -4.6 | 108.3 | ||||
| 326 | T | 30.1 | Very low | 33.3 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | trans | -125.7 | 110.3 | 155.2 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 327 | S | 35.5 | Very low | 33.3 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -100.3 | 150.5 | 169.8 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 328 | L | 35.8 | Very low | 33.4 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -132 | 112.5 | 153.6 | -75.1 | 164.5 | 0 | 0 | 0 | 104 | ||||
| 329 | D | 32.2 | Very low | 33.5 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | 94.8 | 145.9 | 46 | -170.2 | 40.9 | 0 | 0 | 0 | 113.3 | ||||
| 330 | S | 38.2 | Very low | 33.6 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 106.9 | 106.7 | -168.5 | -52 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 331 | G | 36.1 | Very low | 33.6 | Very low | 62 Ų | 62 | 135.6 Ų | 135.6 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | cis | 141.6 | 149.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 332 | V | 35.6 | Very low | 33.6 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | trans | 81.9 | 133.3 | 152.4 | -173.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 333 | S | 34.9 | Very low | 33.5 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -169.9 | -173.7 | -29.1 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 334 | V | 34.6 | Very low | 33.4 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | 72.5 | 106 | 168.2 | -173.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 335 | E | 33.9 | Very low | 33.2 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | 80.9 | 132.9 | 55.8 | -169.4 | 178.8 | -148.3 | 0 | 0 | 112.9 | |||||
| 336 | A | 31.6 | Very low | 32.7 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | cis | -163.9 | -177.4 | -19 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 337 | N | 32.9 | Very low | 32.9 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 93.6 | 100.8 | 157 | -63.5 | -18.6 | 0 | 0 | 0 | 122.3 | ||||
| 338 | S | 33.7 | Very low | 32.6 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | 86.1 | 127.3 | 113.5 | 71.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 339 | T | 32.4 | Very low | 32.6 | Very low | 134 Ų | 134 | 146 Ų | 146 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 81.9 | 129 | 140.1 | 46.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 340 | A | 31.2 | Very low | 32.5 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | 66.2 | 151 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 341 | D | 29.1 | Very low | 32.3 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | cis | -164.6 | 165.1 | -24.2 | 177.7 | 29 | 0 | 0 | 0 | 107 | ||||
| 342 | N | 30.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 155.4 Ų | 155.4 | 61% | 0.61 | 80% | 0.801 | S | S | * | * | trans | 62.8 | 104.1 | 161.9 | -89.7 | -56.1 | 0 | 0 | 0 | 120.9 | ||||
| 343 | R | 30.4 | Very low | 32.4 | Very low | 237 Ų | 237 | 154.3 Ų | 154.3 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | 46.7 | 96.6 | 111.7 | -171.7 | -169.9 | -90.8 | -154.1 | -3.3 | 117.3 | |||||
| 344 | G | 30.3 | Very low | 32.6 | Very low | 74 Ų | 74 | 152.9 Ų | 152.9 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -173.5 | 97.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R346 | G344-R346 PolarHBondContact O-N 3.32Š| ||
| 345 | R | 29.2 | Very low | 32.6 | Very low | 259 Ų | 259 | 154.1 Ų | 154.1 | 98% | 0.977 | 81% | 0.813 | S | S | * | * | trans | -72.2 | 118.7 | -179.2 | -160.9 | -176.4 | -162.2 | -161.9 | 6 | 110.3 | ||||
| 346 | R | 27.9 | Very low | 32.6 | Very low | 241 Ų | 241 | 149.2 Ų | 149.2 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -105.6 | 171.2 | 169.4 | -98 | -166.4 | -178 | -163.2 | 3.5 | 112.6 | G344 | G344-R346 PolarHBondContact O-N 3.32Š| ||
| 347 | Q | 34.6 | Very low | 32.8 | Very low | 170 Ų | 170 | 151.4 Ų | 151.4 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -93.3 | -167.3 | -167 | -166.5 | 165.5 | -67.8 | 0 | 0 | 111.6 | ||||
| 348 | E | 30.8 | Very low | 32.8 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | 90 | 121.4 | 168.6 | -64.2 | 149.8 | -169.4 | 0 | 0 | 113.6 | ||||
| 349 | R | 34.6 | Very low | 32.6 | Very low | 249 Ų | 249 | 152.1 Ų | 152.1 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | 57 | 128 | 60.4 | -96.3 | -169.1 | 174.5 | 124.2 | 0.7 | 112.2 | |||||
| 350 | Q | 31.2 | Very low | 32.4 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -132.3 | 129.3 | -178.5 | -161.2 | 165.5 | 5.6 | 0 | 0 | 109.1 | ||||
| 351 | E | 33.7 | Very low | 33.4 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -89 | 176.7 | 173.6 | -18.3 | -179.5 | 140.9 | 0 | 0 | 107.2 | ||||
| 352 | D | 31 | Very low | 33.6 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | cis | -162.3 | 166.5 | -10.2 | 177.4 | 28.9 | 0 | 0 | 0 | 105.5 | ||||
| 353 | S | 42.4 | Very low | 33.5 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | 179.1 | 104.4 | 150.8 | -81.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 354 | G | 39.1 | Very low | 33.6 | Very low | 68 Ų | 68 | 146.9 Ų | 146.9 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -107.4 | 170.2 | 180 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 355 | C | 34.9 | Very low | 33.6 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 97% | 0.973 | 81% | 0.814 | S | S | * | * | trans | -177.1 | 139.5 | 159.6 | -128.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 356 | G | 32.9 | Very low | 33.6 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | cis | -171.8 | 155.8 | -6.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 357 | S | 36.6 | Very low | 33.7 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -85.7 | 146.8 | -167.1 | -51.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 358 | M | 33.4 | Very low | 33.6 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 95% | 0.946 | 80% | 0.8 | S | S | * | * | trans | -166.4 | 140.7 | 133.3 | -71 | -149.1 | 80.9 | 0 | 0 | 107.8 | ||||
| 359 | G | 27.4 | Very low | 33.5 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | cis | -164 | 151.3 | -7.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 360 | S | 28.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -91.4 | -175.1 | 175.3 | -131.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 361 | P | 52.4 | Low | 32.8 | Very low | 94 Ų | 94 | 132 Ų | 132 | 61% | 0.61 | 79% | 0.792 | S | S | * | * | cis | -142.9 | -170.6 | 13.1 | 33.1 | -7.4 | 0 | 0 | 0 | 117.7 | ||||
| 362 | E | 33.6 | Very low | 33.5 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | trans | 83.8 | 138.1 | 164.8 | -41.6 | -46.1 | 169.3 | 0 | 0 | 118 | ||||
| 363 | I | 27.6 | Very low | 33.4 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | cis | -144.5 | 171.5 | -2.1 | -128.6 | 162.2 | 0 | 0 | 0 | 112.8 | ||||
| 364 | S | 32.9 | Very low | 32.9 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -51.7 | 168.2 | 175.4 | 66.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 365 | A | 29.4 | Very low | 32.3 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | cis | -160.5 | 169.3 | 22 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 366 | H | 29.8 | Very low | 32.2 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -8.1 | 155.3 | 145.4 | -87.4 | -97.4 | 0 | 0 | 0 | 119.5 | ||||
| 367 | S | 30.3 | Very low | 32 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -158.2 | 165.5 | 23.8 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 368 | H | 32.8 | Very low | 31.7 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -62.8 | 156.4 | 164.2 | -71.3 | -108.1 | 0 | 0 | 0 | 114.4 | ||||
| 369 | T | 28.3 | Very low | 31.6 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | -162.6 | 162.2 | 126.1 | 23.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 370 | D | 27.9 | Very low | 31.7 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -129.5 | 132.9 | -170.2 | -122.8 | -13.7 | 0 | 0 | 0 | 111.1 | ||||
| 371 | Y | 24 | Very low | 31.8 | Very low | 204 Ų | 204 | 141 Ų | 141 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 59.7 | 170.4 | 157.1 | -67.4 | -65.5 | 0 | 0 | 0 | 121.6 | ||||
| 372 | P | 48.1 | Very low | 30.6 | Very low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | cis | -141 | 161.4 | -42 | 37.7 | -20.7 | 0 | 0 | 0 | 118 | ||||
| 373 | M | 29.2 | Very low | 30.5 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | 60.5 | 155 | 145.7 | -71.4 | -145.4 | -59.3 | 0 | 0 | 126 | ||||
| 374 | Q | 30.2 | Very low | 30.7 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | 74.8 | 151.7 | 169.6 | -70.7 | 177.8 | -19.8 | 0 | 0 | 117.9 | ||||
| 375 | D | 28.4 | Very low | 30.6 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -165.2 | 178.6 | -31.1 | -161.2 | -4.4 | 0 | 0 | 0 | 107.6 | ||||
| 376 | E | 31.3 | Very low | 30.6 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 70.5 | 99.6 | 162.8 | -65.6 | -162.3 | 117.7 | 0 | 0 | 122.2 | ||||
| 377 | S | 29.7 | Very low | 30.8 | Very low | 96 Ų | 96 | 150.2 Ų | 150.2 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | 77.8 | 148.6 | 113.4 | 86.4 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 378 | L | 30 | Very low | 30.6 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 81 | 110.2 | 155.8 | -59.9 | 177.9 | 0 | 0 | 0 | 122.4 | ||||
| 379 | E | 30.5 | Very low | 30.9 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 70.5 | 149.8 | 123.6 | -67.8 | -68.9 | 148 | 0 | 0 | 123.8 | |||||
| 380 | A | 30.7 | Very low | 31.1 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 76.6 | 92.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 381 | D | 29.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | 80.5 | 157.5 | 110.9 | -135.4 | -3.2 | 0 | 0 | 0 | 124.1 | |||||
| 382 | E | 28.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 70.7 | 106.9 | 164.5 | -67.4 | -149.7 | 122 | 0 | 0 | 123.6 | ||||
| 383 | V | 31.3 | Very low | 30.9 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | 51.6 | 113.6 | 118.1 | -177.3 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 384 | S | 31.3 | Very low | 30.7 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | -178.9 | 139.5 | 105.8 | 53.2 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 385 | K | 31.1 | Very low | 30.8 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 33.2 | 119 | 139.8 | -62.2 | 179.3 | 174.4 | -178.8 | 0 | 121.2 | ||||
| 386 | R | 30.3 | Very low | 31.1 | Very low | 222 Ų | 222 | 135.5 Ų | 135.5 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | -176.3 | 126.4 | 105.9 | -95.9 | 169 | 172.1 | 131.8 | -2.5 | 108.9 | |||||
| 387 | E | 33 | Very low | 30.8 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | 55.2 | 87.4 | 80 | -64.6 | 169.8 | 173.2 | 0 | 0 | 109.9 | |||||
| 388 | D | 27.1 | Very low | 30.6 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | 75.4 | 113.5 | 85.4 | -172.3 | 23.1 | 0 | 0 | 0 | 113.2 | G390 | D388-G390 PolarHBondContact OD1-N 2.88Š| |||
| 389 | S | 39.2 | Very low | 30.4 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -165.2 | 70.1 | 161.9 | -78.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 390 | G | 31.5 | Very low | 30.2 | Very low | 54 Ų | 54 | 134.2 Ų | 134.2 | 56% | 0.557 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 126.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D388 | D388-G390 PolarHBondContact OD1-N 2.88Š| ||
| 391 | M | 33.3 | Very low | 30 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | trans | -148.3 | 103.3 | 153.1 | -91.7 | -59.7 | 111.8 | 0 | 0 | 108.5 | ||||
| 392 | G | 29.7 | Very low | 29.9 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -105 | 134.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 393 | L | 32.5 | Very low | 29.7 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | trans | -135.7 | 110.9 | 153.3 | -63 | 172.2 | 0 | 0 | 0 | 102.8 | ||||
| 394 | G | 26.3 | Very low | 29.5 | Very low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | 82.4 | 124.2 | 60.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 395 | C | 30.5 | Very low | 29.3 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | cis | -157.6 | -177.2 | 1.4 | -120.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 396 | P | 36 | Very low | 29.1 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -94 | 166.4 | -150 | 37.8 | -39.4 | 0 | 0 | 0 | 115.9 | ||||
| 397 | H | 25.3 | Very low | 29.2 | Very low | 205 Ų | 205 | 138.8 Ų | 138.8 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | trans | -112.6 | 123.9 | 151.1 | -92.5 | -67.7 | 0 | 0 | 0 | 111 | ||||
| 398 | H | 24.7 | Very low | 29 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | -111 | 126.3 | -177.9 | -177.6 | 101.3 | 0 | 0 | 0 | 109.6 | ||||
| 399 | S | 27 | Very low | 29.2 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | 177.4 | 116.6 | 146.5 | 25.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 400 | S | 25.8 | Very low | 28.7 | Very low | 82 Ų | 82 | 139 Ų | 139 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | 56.1 | 92.3 | 59.7 | 76.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 401 | F | 27 | Very low | 28.5 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | 77.6 | 113.9 | 88.8 | -94.2 | -72.6 | 0 | 0 | 0 | 113.5 | |||||
| 402 | L | 25.9 | Very low | 28.3 | Very low | 174 Ų | 174 | 139 Ų | 139 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -133.9 | 121.4 | 146.9 | -81.6 | 178.8 | 0 | 0 | 0 | 109.5 | ||||
| 403 | K | 24.5 | Very low | 28.2 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -111.2 | 142.6 | 166.9 | -138.2 | -173.6 | -176.2 | -167.3 | 0 | 105.6 | ||||
| 404 | L | 27.9 | Very low | 27.9 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -134.3 | 154.7 | 164.2 | -132.7 | 97.7 | 0 | 0 | 0 | 108.7 | ||||
| 405 | D | 27.8 | Very low | 28 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -136 | -179.9 | -155.7 | -141.7 | -29.5 | 0 | 0 | 0 | 112.9 | ||||
| 406 | S | 26.7 | Very low | 27.9 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | 78.8 | 111.1 | -179 | 74.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 407 | Q | 31.9 | Very low | 27.6 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | 79.2 | 137.6 | 81.4 | -78.4 | 172.7 | -36.5 | 0 | 0 | 113 | |||||
| 408 | D | 29.4 | Very low | 27.7 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | cis | -158 | 159.5 | 32.3 | -139.9 | -34.5 | 0 | 0 | 0 | 117.1 | ||||
| 409 | T | 31.4 | Very low | 27.9 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | 39.4 | 126.3 | 153.1 | 14.1 | 0 | 0 | 0 | 0 | 128.2 | ||||
| 410 | K | 28.4 | Very low | 27.9 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | 60.5 | 153 | 138.7 | -91 | -179.3 | 175.8 | 175.7 | 0 | 121 | ||||
| 411 | S | 26.3 | Very low | 28 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | cis | -164.2 | 142.2 | -1.5 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 412 | L | 28.9 | Very low | 28.1 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 37.4 | 127 | 153.6 | -65.5 | 167.2 | 0 | 0 | 0 | 122.2 | ||||
| 413 | V | 28.6 | Very low | 28.2 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | -171.6 | 146.9 | 107.8 | 146 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 414 | E | 26.7 | Very low | 28.4 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -91.7 | 134.9 | 179.8 | 170.9 | -173.3 | -179 | 0 | 0 | 111.8 | ||||
| 415 | T | 26.5 | Very low | 28.5 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | -158.5 | 136.1 | 148.1 | -22 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 416 | V | 30 | Very low | 28.8 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | -88.8 | 141.3 | 169 | 172.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 417 | I | 28.1 | Very low | 28.8 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -169.8 | 144.4 | 140.1 | -99.4 | 152.2 | 0 | 0 | 0 | 113.3 | ||||
| 418 | V | 28.3 | Very low | 28.6 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -58.3 | 144.6 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 419 | G | 28.4 | Very low | 28.4 | Very low | 60 Ų | 60 | 146.3 Ų | 146.3 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | 113.1 | 112 | 129.2 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 420 | N | 28.2 | Very low | 28.2 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 68% | 0.684 | 80% | 0.804 | S | S | * | * | trans | 68.2 | 138.6 | 136.6 | -67 | -0.2 | 0 | 0 | 0 | 123.9 | ||||
| 421 | Y | 27 | Very low | 28.2 | Very low | 187 Ų | 187 | 147 Ų | 147 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -53.1 | 128.8 | 176.9 | 17.9 | -100.6 | 0 | 0 | 0 | 118.5 | ||||
| 422 | R | 28.4 | Very low | 28.3 | Very low | 233 Ų | 233 | 151.9 Ų | 151.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | 177.4 | 139.7 | 113.7 | -106.4 | 177.7 | 171.4 | 155 | -2.9 | 114.6 | |||||
| 423 | T | 29.4 | Very low | 28.2 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | 13.7 | 121 | 149.5 | 55.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 424 | Q | 29.1 | Very low | 28.1 | Very low | 197 Ų | 197 | 154.2 Ų | 154.2 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | -171.7 | 149 | 124.6 | -103.3 | 163.8 | 39.3 | 0 | 0 | 112 | |||||
| 425 | S | 29.3 | Very low | 28.3 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -91.7 | 161.8 | 174.2 | -68 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 426 | P | 33.9 | Very low | 28.4 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -84.6 | 154.5 | -149.1 | 33.1 | -36.6 | 0 | 0 | 0 | 114.8 | ||||
| 427 | S | 27.4 | Very low | 28.7 | Very low | 123 Ų | 123 | 154.8 Ų | 154.8 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -110.5 | 161.7 | 162.4 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 428 | E | 27.3 | Very low | 28.8 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -65.5 | 150.1 | -156.7 | -67.8 | 158.6 | 114.7 | 0 | 0 | 117 | ||||
| 429 | M | 25.2 | Very low | 28.8 | Very low | 174 Ų | 174 | 156 Ų | 156 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -76.8 | 113.5 | 165.9 | -173.8 | -174.8 | -149 | 0 | 0 | 109.3 | ||||
| 430 | Q | 27.3 | Very low | 28.8 | Very low | 194 Ų | 194 | 159.7 Ų | 159.7 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 120.9 | 164.8 | -90.8 | -172.4 | -4 | 0 | 0 | 110.2 | ||
| 431 | V | 28.8 | Very low | 28.9 | Very low | 124 Ų | 124 | 162.1 Ų | 162.1 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 136.9 | -177.9 | 169.4 | 0 | 0 | 0 | 0 | 111 | ||
| 432 | Q | 26.9 | Very low | 29.1 | Very low | 191 Ų | 191 | 161.7 Ų | 161.7 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 120.2 | 166.9 | 176.3 | -178 | 11.2 | 0 | 0 | 110.5 | ||
| 433 | S | 26.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 158 Ų | 158 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | trans | -151.4 | 143.2 | 142.7 | 75.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 434 | R | 28.1 | Very low | 29.3 | Very low | 229 Ų | 229 | 158.5 Ų | 158.5 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -130 | 108.1 | 173.3 | 175.6 | -170.1 | -167.3 | 172.2 | 4.5 | 104.6 | ||||
| 435 | D | 30.7 | Very low | 29.3 | Very low | 160 Ų | 160 | 153 Ų | 153 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -170.2 | 153.7 | 142.1 | -95.9 | -21.1 | 0 | 0 | 0 | 110.4 | ||||
| 436 | S | 28.6 | Very low | 29.2 | Very low | 109 Ų | 109 | 159.4 Ų | 159.4 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | trans | -128.1 | 131.7 | -176 | -57.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 437 | E | 34.8 | Very low | 29.1 | Very low | 172 Ų | 172 | 158.3 Ų | 158.3 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | 169.9 | 125.2 | 118.9 | -89.7 | -172.4 | 164.8 | 0 | 0 | 113.3 | |||||
| 438 | N | 31.5 | Very low | 29.5 | Very low | 135 Ų | 135 | 158.3 Ų | 158.3 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | 53.7 | 96.6 | 135.4 | -54.3 | -32.5 | 0 | 0 | 0 | 121.6 | ||||
| 439 | M | 28.4 | Very low | 29.6 | Very low | 193 Ų | 193 | 157 Ų | 157 | 95% | 0.951 | 82% | 0.817 | S | S | * | * | -158.9 | 160.3 | 113.1 | -112 | -162.6 | 74.4 | 0 | 0 | 112.7 | |||||
| 440 | L | 28.6 | Very low | 29.9 | Very low | 137 Ų | 137 | 153.5 Ų | 153.5 | 72% | 0.717 | 82% | 0.815 | S | S | * | * | trans | -120.3 | 150.3 | -157.6 | -162.3 | 80.7 | 0 | 0 | 0 | 113.5 | ||||
| 441 | K | 30.5 | Very low | 29.9 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | trans | 78 | 138.9 | 172.6 | -51.3 | 179.1 | -178.6 | 175.3 | 0 | 113.4 | ||||
| 442 | Q | 30.5 | Very low | 29.9 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | cis | -158.2 | 157.7 | 22 | -133.5 | 161.5 | 22 | 0 | 0 | 110.9 | ||||
| 443 | I | 29.7 | Very low | 30 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -107.9 | 140.7 | 175.1 | -58.9 | 161.8 | 0 | 0 | 0 | 108.6 | ||||
| 444 | P | 32.8 | Very low | 30.3 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -130.7 | 143.1 | 108.2 | 6.2 | 15.5 | 0 | 0 | 0 | 113.5 | |||||
| 445 | A | 28.8 | Very low | 30.3 | Very low | 83 Ų | 83 | 141.5 Ų | 141.5 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | -83 | 153.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 446 | R | 27.1 | Very low | 30.2 | Very low | 248 Ų | 248 | 145 Ų | 145 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | -171.7 | 123.2 | 130.7 | -102.6 | 161.1 | -166.8 | -163.6 | 3.3 | 111.9 | ||||
| 447 | S | 30.4 | Very low | 30.6 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -71.6 | 157.4 | 166.2 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 448 | P | 37 | Very low | 30.5 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | -127.1 | 154.1 | 116.5 | 35 | -28.6 | 0 | 0 | 0 | 113 | |||||
| 449 | L | 29.7 | Very low | 30.7 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 144 | 179.2 | -81.5 | 65.1 | 0 | 0 | 0 | 111.5 | ||
| 450 | A | 31.2 | Very low | 31.2 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 140.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 451 | D | 27.7 | Very low | 31.7 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 147 | -176.7 | -164.1 | 6.3 | 0 | 0 | 0 | 112.1 | V453 | D451-V453 PolarHBondContact O-N 3.26Š|
| 452 | V | 27.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -87.8 | 91 | -174.4 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | T454 | V452-T454 PolarHBondContact O-N 2.89Š| ||
| 453 | V | 30.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 135 Ų | 135 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -80 | 101.3 | 171.1 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | D451 G455 | D451-V453 PolarHBondContact O-N 3.26Å; V453-G455 PolarHBondContact O-N 3.19Å | ||
| 454 | T | 32.2 | Very low | 33.7 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -67.2 | 114.9 | 168.4 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | V452 | V452-T454 PolarHBondContact O-N 2.89Š| ||
| 455 | G | 28.9 | Very low | 34.4 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | -121.2 | 99.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V453 | V453-G455 PolarHBondContact O-N 3.19Š| ||
| 456 | Y | 28.5 | Very low | 35.2 | Very low | 234 Ų | 234 | 132.2 Ų | 132.2 | 92% | 0.918 | 77% | 0.771 | S | S | * | * | trans | -131.1 | 105.1 | 148.6 | -96.1 | -83.1 | 0 | 0 | 0 | 107.9 | ||||
| 457 | K | 35.5 | Very low | 36.3 | Very low | 203 Ų | 203 | 130 Ų | 130 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 122.2 | 169 | -82.3 | -174.6 | 174.9 | 179.1 | 0 | 108.8 | ||
| 458 | P | 33.9 | Very low | 37.4 | Very low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 148.8 | 162.2 | 29.7 | -32.4 | 0 | 0 | 0 | 109.8 | ||
| 459 | G | 34.9 | Very low | 38.3 | Very low | 59 Ų | 59 | 125 Ų | 125 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 162 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L461 | G459-L461 PolarHBondContact O-N 2.97Š|
| 460 | P | 39.6 | Very low | 39.2 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -70.4 | 113.2 | -176.1 | 28.5 | -33.9 | 0 | 0 | 0 | 111.9 | S462 | P460-S462 PolarHBondContact O-N 3.44Š| ||
| 461 | L | 38.2 | Very low | 40.1 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | trans | -74.3 | 110.2 | 166.8 | -79.8 | 154.8 | 0 | 0 | 0 | 109.7 | G459 C463 | G459-L461 PolarHBondContact O-N 2.97Å; L461-C463 PolarHBondContact O-N 2.88Å | ||
| 462 | S | 40 | Very low | 41 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -79.2 | 100.2 | 172.6 | 46.2 | 0 | 0 | 0 | 0 | 111 | P460 | P460-S462 PolarHBondContact O-N 3.44Š| ||
| 463 | C | 43.8 | Very low | 42.2 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 65% | 0.649 | 72% | 0.715 | S | S | * | * | trans | -82.5 | 120 | 173.2 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | L461 | L461-C463 PolarHBondContact O-N 2.88Š| ||
| 464 | I | 49 | Very low | 43.6 | Very low | 165 Ų | 165 | 120 Ų | 120 | 85% | 0.846 | 69% | 0.687 | S | S | * | * | trans | -87.2 | 110 | 169.8 | -60.7 | 170.9 | 0 | 0 | 0 | 108.2 | S466 | I464-S466 PolarHBondContact O-N 3.24Š| ||
| 465 | C | 48.8 | Very low | 44.5 | Very low | 64 Ų | 64 | 121 Ų | 121 | 43% | 0.432 | 68% | 0.682 | S | S | . | * | trans | -71.8 | 118.7 | 173.9 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | C474 | C465-C474 HydrophobicContact CB-CB 4.03Å; C465-C474 WeakPolarHBondContact CB-SG 3.34Å; C465-C474 WeakPolarHBondContact SG-CB 3.36Å; C465-C474 CovalentContact SG-SG 2.05Å; C465-C474 PolarHBondContact SG-SG 3.08Å | ||
| 466 | S | 45.4 | Very low | 45.4 | Very low | 79 Ų | 79 | 128.5 Ų | 128.5 | 55% | 0.552 | 69% | 0.691 | S | S | * | * | trans | -64 | 151.5 | 168.8 | 58.8 | 0 | 0 | 0 | 0 | 111 | I464 T468 G469 | I464-S466 PolarHBondContact O-N 3.24Å; S466-T468 PolarHBondContact O-N 2.91Å; S466-G469 PolarHBondContact O-N 3.31Å | ||
| 467 | Q | 50.5 | Low | 46.4 | Very low | 203 Ų | 203 | 124.6 Ų | 124.6 | 95% | 0.949 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -15.6 | -171.5 | -76.2 | 177.1 | -17.9 | 0 | 0 | 114.7 | ||
| 468 | T | 53.6 | Low | 46.8 | Very low | 101 Ų | 101 | 117.3 Ų | 117.3 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -10.6 | 177.7 | 56 | 0 | 0 | 0 | 0 | 114.3 | S466 Q470 | S466-T468 PolarHBondContact O-N 2.91Å; T468-Q470 VanDerWaalsContact C-N 3.35Å; T468-Q470 PolarHBondContact O-N 3.44Å |
| 469 | G | 54.3 | Low | 47.3 | Very low | 21 Ų | 21 | 117.1 Ų | 117.1 | 22% | 0.216 | 67% | 0.665 | C | S | . | * | trans | 67.1 | 22.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117 | S466 C471 | S466-G469 PolarHBondContact O-N 3.31Å; G469-C471 PolarHBondContact O-N 3.41Å | ||
| 470 | Q | 48.2 | Very low | 47.7 | Very low | 175 Ų | 175 | 124.7 Ų | 124.7 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | -79.1 | 11.4 | -173.3 | -68.9 | 176.7 | -19.3 | 0 | 0 | 115.5 | T468 | T468-Q470 VanDerWaalsContact C-N 3.35Å; T468-Q470 PolarHBondContact O-N 3.44Å | ||
| 471 | C | 50.8 | Low | 47.8 | Very low | 81 Ų | 81 | 120.7 Ų | 120.7 | 55% | 0.547 | 66% | 0.66 | S | S | . | * | trans | -106.9 | 129.7 | 177.2 | -75.9 | 0 | 0 | 0 | 0 | 111.9 | G469 W473 C474 H475 | G469-C471 PolarHBondContact O-N 3.41Å; C471-W473 PolarHBondContact O-N 3.18Å; C471-C474 WeakPolarHBondContact O-CB 3.38Å; C471-C474 PolarHBondContact O-N 3.12Å; C471-C474 VanDerWaalsContact O-N 3.12Å; C471-H475 PolarHBondContact O-N 3.05Å | ||
| 472 | S | 47.7 | Very low | 48.2 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -60.7 | -28 | -175.4 | 56 | 0 | 0 | 0 | 0 | 114.4 | H475 R476 | S472-H475 PolarHBondContact O-N 2.96Å; S472-R476 PolarHBondContact O-N 3.42Å |
| 473 | W | 52.9 | Low | 48.5 | Very low | 173 Ų | 173 | 122.8 Ų | 122.8 | 66% | 0.655 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70 | -45.4 | 175 | -164.3 | 79.9 | 0 | 0 | 0 | 112.1 | C471 H475 R476 | C471-W473 PolarHBondContact O-N 3.18Å; W473-H475 PolarHBondContact O-N 3.49Å; W473-R476 PolarHBondContact O-N 3.29Å; W473-R476 VanDerWaalsContact O-N 3.11Å |
| 474 | C | 58.1 | Low | 48.7 | Very low | 27 Ų | 27 | 122.1 Ų | 122.1 | 18% | 0.182 | 67% | 0.674 | C | S | . | * | H | α-helix | trans | -61 | -25.8 | 174.6 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | C465 C471 | C465-C474 HydrophobicContact CB-CB 4.03Å; C465-C474 WeakPolarHBondContact CB-SG 3.34Å; C465-C474 WeakPolarHBondContact SG-CB 3.36Å; C465-C474 CovalentContact SG-SG 2.05Å; C465-C474 PolarHBondContact SG-SG 3.08Å; C471-C474 WeakPolarHBondContact O-CB 3.38Å; C471-C474 PolarHBondContact O-N 3.12Å; C471-C474 VanDerWaalsContact O-N 3.12Å |
| 475 | H | 51.2 | Low | 48.2 | Very low | 152 Ų | 152 | 120.5 Ų | 120.5 | 70% | 0.704 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -80.7 | -23 | 178 | -160 | -47 | 0 | 0 | 0 | 113.5 | C471 S472 W473 | C471-H475 PolarHBondContact O-N 3.05Å; S472-H475 PolarHBondContact O-N 2.96Å; W473-H475 PolarHBondContact O-N 3.49Å |
| 476 | R | 47.4 | Very low | 47.5 | Very low | 223 Ų | 223 | 125.8 Ų | 125.8 | 84% | 0.842 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -88.8 | -25.4 | -178.3 | -90.3 | -171 | 175.8 | -175.9 | 0.2 | 115.1 | S472 W473 | S472-R476 PolarHBondContact O-N 3.42Å; W473-R476 PolarHBondContact O-N 3.29Å; W473-R476 VanDerWaalsContact O-N 3.11Å |
| 477 | H | 50 | Low | 47 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 70% | 0.704 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -115.9 | 3.1 | -173.2 | -82.1 | -75.4 | 0 | 0 | 0 | 115.4 | S479 | H477-S479 PolarHBondContact O-N 2.89Å |
| 478 | G | 45.1 | Very low | 46.2 | Very low | 50 Ų | 50 | 126.7 Ų | 126.7 | 52% | 0.515 | 70% | 0.7 | S | S | . | * | trans | -78.6 | 111 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 479 | S | 43.5 | Very low | 45 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 130.8 | 171.3 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | H477 | H477-S479 PolarHBondContact O-N 2.89Š|
| 480 | Y | 42.7 | Very low | 43.9 | Very low | 218 Ų | 218 | 136.1 Ų | 136.1 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 124.2 | 173.3 | -80.1 | -101.4 | 0 | 0 | 0 | 111 | ||
| 481 | G | 42.3 | Very low | 42.9 | Very low | 52 Ų | 52 | 133.2 Ų | 133.2 | 54% | 0.536 | 73% | 0.731 | S | S | . | * | P | Polyproline II helix | trans | -93.9 | 159.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 482 | P | 46.2 | Very low | 41.8 | Very low | 134 Ų | 134 | 135 Ų | 135 | 87% | 0.87 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -64.5 | 143 | 170.5 | 29.7 | -33.3 | 0 | 0 | 0 | 109.7 | ||
| 483 | E | 47.4 | Very low | 40.8 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 69.2 | 51.2 | -176.6 | -54.3 | -165.5 | 177.1 | 0 | 0 | 116.9 | T485 | E483-T485 VanDerWaalsContact C-N 3.28Å; E483-T485 PolarHBondContact O-N 2.83Å; E483-T485 PolarHBondContact O-OG1 2.86Å |
| 484 | G | 47.4 | Very low | 39.7 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | S | Bend | 71 | 0.7 | 128.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||
| 485 | T | 38.9 | Very low | 38.3 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -121.7 | 132.3 | 178.1 | 41.6 | 0 | 0 | 0 | 0 | 111.9 | E483 L487 | E483-T485 VanDerWaalsContact C-N 3.28Å; E483-T485 PolarHBondContact O-N 2.83Å; E483-T485 PolarHBondContact O-OG1 2.86Å; T485-L487 PolarHBondContact O-N 3.36Å | ||
| 486 | K | 34.2 | Very low | 37.1 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -82.3 | 106.1 | 179.5 | -70.7 | -179.1 | 179.7 | 176.1 | 0 | 110.1 | ||||
| 487 | L | 34.2 | Very low | 36.2 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -103.3 | 114.7 | 171.5 | -156.2 | 80.8 | 0 | 0 | 0 | 110.2 | T485 | T485-L487 PolarHBondContact O-N 3.36Š| ||
| 488 | C | 33.2 | Very low | 35.1 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -84.2 | 119.8 | 172.7 | -71.4 | 0 | 0 | 0 | 0 | 110 | A490 | C488-A490 PolarHBondContact O-N 2.67Š| ||
| 489 | R | 29.6 | Very low | 34.2 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -79.3 | 113.1 | 173.8 | -169.6 | -179.1 | -165.3 | 175.7 | 5.2 | 109.6 | V491 | R489-V491 PolarHBondContact O-N 2.83Š| ||
| 490 | A | 30.3 | Very low | 33.4 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -68 | 129.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | C488 | C488-A490 PolarHBondContact O-N 2.67Š| ||
| 491 | V | 28.7 | Very low | 32.6 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | -109.3 | 101.9 | 170.8 | 177.7 | 0 | 0 | 0 | 0 | 106.9 | R489 I493 | R489-V491 PolarHBondContact O-N 2.83Å; V491-I493 HydrophobicContact CG1-CG1 4.43Å | ||
| 492 | C | 27.1 | Very low | 32 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -77 | 128.1 | 165.8 | -62.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 493 | I | 27 | Very low | 30.9 | Very low | 149 Ų | 149 | 141 Ų | 141 | 76% | 0.764 | 83% | 0.829 | S | S | * | * | trans | -99.1 | 104.2 | 165.4 | -61.5 | 176.3 | 0 | 0 | 0 | 105.9 | V491 | V491-I493 HydrophobicContact CG1-CG1 4.43Š| ||
| 494 | E | 29 | Very low | 29.9 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 127 | 175.6 | -161.7 | 163.4 | -135.6 | 0 | 0 | 108.4 | ||
| 495 | N | 28.4 | Very low | 29 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 126.9 | 178.6 | -85.5 | -29.6 | 0 | 0 | 0 | 109.9 | L497 | N495-L497 PolarHBondContact O-N 3.03Š|
| 496 | V | 27.5 | Very low | 28.3 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 128 | -174.1 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 497 | L | 26.8 | Very low | 28 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -137.8 | 142.3 | 152.3 | -120.3 | 156.3 | 0 | 0 | 0 | 108.5 | N495 | N495-L497 PolarHBondContact O-N 3.03Š| ||
| 498 | L | 28.6 | Very low | 27.7 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -78 | 141.6 | -157.4 | -69.5 | 105.8 | 0 | 0 | 0 | 115.4 | ||||
| 499 | G | 24.9 | Very low | 27.4 | Very low | 83 Ų | 83 | 140.4 Ų | 140.4 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | 122.8 | 130.4 | 137.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 500 | G | 26.6 | Very low | 27.4 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 121.5 | 100.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 501 | T | 27.2 | Very low | 27.2 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -90.5 | 136.2 | 172 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 502 | S | 27.9 | Very low | 27.1 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -175.7 | 151 | 134 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 503 | D | 24.7 | Very low | 27.2 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -86.4 | -164.9 | -167.8 | -54.2 | -85.1 | 0 | 0 | 0 | 116.7 | ||||
| 504 | L | 26.1 | Very low | 27.1 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | 93.1 | 112.8 | 170.2 | -114.2 | 61.6 | 0 | 0 | 0 | 115.6 | ||||
| 505 | V | 27.3 | Very low | 27 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 72% | 0.715 | 82% | 0.816 | S | S | * | * | 63.3 | 123.7 | 52.6 | -173.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 506 | D | 25.1 | Very low | 26.9 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | cis | -150.2 | 175.7 | 29.9 | -149.9 | -10.2 | 0 | 0 | 0 | 115.4 | ||||
| 507 | S | 27.2 | Very low | 26.9 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 62% | 0.615 | 81% | 0.814 | S | S | * | * | trans | -50.2 | 148.5 | 167.8 | 161.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 508 | S | 28.5 | Very low | 26.9 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -142.7 | 143 | 135.5 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 509 | R | 27.3 | Very low | 26.8 | Very low | 225 Ų | 225 | 136.7 Ų | 136.7 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | trans | -111.2 | 172.5 | 176 | -73.4 | -179.2 | 171.4 | -170.5 | -1.6 | 109.5 | ||||
| 510 | V | 28.5 | Very low | 26.9 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 92% | 0.915 | 80% | 0.8 | S | S | * | * | trans | 78 | 135.2 | 164.6 | -166.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 511 | G | 26.4 | Very low | 27 | Very low | 65 Ų | 65 | 142 Ų | 142 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | cis | -179 | -179.6 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 512 | K | 27.8 | Very low | 26.9 | Very low | 199 Ų | 199 | 143.4 Ų | 143.4 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -39 | 149 | 174.1 | -50 | 165 | 175 | 175.3 | 0 | 112.8 | ||||
| 513 | T | 27.6 | Very low | 26.9 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | -172.9 | 153.3 | 55.2 | 39.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 514 | H | 25.7 | Very low | 27.2 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | 61 | 145.7 | 142.3 | -145.3 | -91.3 | 0 | 0 | 0 | 121.4 | ||||
| 515 | M | 27.8 | Very low | 27.3 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -73.4 | 149.7 | 171.7 | -67.3 | 175.3 | 163.1 | 0 | 0 | 111.7 | ||||
| 516 | D | 26 | Very low | 27.3 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | -162.7 | 159.6 | 113.8 | -106.1 | -26.6 | 0 | 0 | 0 | 112.3 | |||||
| 517 | S | 27.6 | Very low | 27.5 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -79.3 | 134.7 | -172.8 | 58 | 0 | 0 | 0 | 0 | 114 | ||||
| 518 | V | 25.3 | Very low | 27.7 | Very low | 125 Ų | 125 | 152.4 Ų | 152.4 | 76% | 0.758 | 82% | 0.819 | S | S | * | * | trans | -140 | 125.5 | 151 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | T520 | V518-T520 HydrophobicContact CG1-CG2 4.01Š| ||
| 519 | I | 26.9 | Very low | 27.8 | Very low | 158 Ų | 158 | 153 Ų | 153 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -88.9 | 120.3 | 164.7 | -65.3 | 170.2 | 0 | 0 | 0 | 107.4 | ||||
| 520 | T | 27.3 | Very low | 28 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -132.3 | 117.1 | 161.2 | 44.5 | 0 | 0 | 0 | 0 | 108.9 | V518 L522 | V518-T520 HydrophobicContact CG1-CG2 4.01Å; T520-L522 PolarHBondContact O-N 3.26Å | ||
| 521 | N | 28.6 | Very low | 28.3 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -62.7 | 131.8 | 167.5 | -67.3 | -38.9 | 0 | 0 | 0 | 109.3 | ||||
| 522 | L | 25.5 | Very low | 28.7 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -143.3 | 96.2 | 149 | -163.5 | 62.8 | 0 | 0 | 0 | 108.6 | T520 | T520-L522 PolarHBondContact O-N 3.26Š| ||
| 523 | E | 27.3 | Very low | 28.7 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -66.1 | 167.8 | 159.7 | -167.2 | 167.3 | -167.4 | 0 | 0 | 109.2 | ||||
| 524 | E | 32.1 | Very low | 29.2 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | 77.6 | 72.6 | -174.5 | -52.5 | -166.3 | 151.9 | 0 | 0 | 117.1 | ||||
| 525 | S | 27.4 | Very low | 29.7 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | -165.2 | 154.1 | 123.2 | 34 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 526 | L | 28.4 | Very low | 29.9 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | 80.1 | 43.1 | 174.7 | -60 | 164.2 | 0 | 0 | 0 | 118.7 | H528 | L526-H528 VanDerWaalsContact C-N 3.26Å; L526-H528 PolarHBondContact O-N 3.38Å | ||
| 527 | L | 28.5 | Very low | 30.5 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | trans | -77.7 | 78.5 | 136.6 | -89.8 | 172.8 | 0 | 0 | 0 | 109.4 | ||||
| 528 | H | 31.8 | Very low | 30.8 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -163.4 | 43 | 164.6 | -135.2 | 128.5 | 0 | 0 | 0 | 116.8 | L526 | L526-H528 VanDerWaalsContact C-N 3.26Å; L526-H528 PolarHBondContact O-N 3.38Å | ||
| 529 | V | 29.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -140.2 | 81.1 | 158.2 | -170 | 0 | 0 | 0 | 0 | 110 | ||||
| 530 | S | 31.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -132.2 | 70.3 | 170.7 | 58.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 531 | D | 35.2 | Very low | 32.2 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -166.5 | 57.9 | 168.9 | -101.4 | -25.6 | 0 | 0 | 0 | 112.3 | ||||
| 532 | T | 34.3 | Very low | 32.6 | Very low | 108 Ų | 108 | 154.3 Ų | 154.3 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -157.1 | 138.2 | 153.8 | -26.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 533 | F | 29.4 | Very low | 32.8 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 73.6 | 89.1 | 177.6 | -51 | -73.1 | 0 | 0 | 0 | 118.2 | L535 | F533-L535 PolarHBondContact O-N 3.08Š| ||
| 534 | P | 36.4 | Very low | 33.3 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -91 | 54.2 | 174.5 | 38.6 | -36.1 | 0 | 0 | 0 | 112.9 | ||||
| 535 | L | 36 | Very low | 33.7 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -143.6 | 33.2 | -174.6 | -76.8 | -180 | 0 | 0 | 0 | 115.2 | F533 | F533-L535 PolarHBondContact O-N 3.08Š| ||
| 536 | L | 31.8 | Very low | 34 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 64% | 0.644 | 79% | 0.792 | S | S | * | * | trans | -136.5 | 126.4 | 175.9 | -49.6 | 170.8 | 0 | 0 | 0 | 110.2 | V556 | L536-V556 HydrophobicContact CB-CG1 4.22Å; L536-V556 HydrophobicContact CD2-CG1 3.54Å; L536-V556 HydrophobicContact CG-CG1 4.41Å | ||
| 537 | T | 38.6 | Very low | 34.4 | Very low | 134 Ų | 134 | 152 Ų | 152 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -131.8 | 131 | 175 | -49.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 538 | S | 33.9 | Very low | 35 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -69 | 150 | 179 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 539 | R | 36.8 | Very low | 35.4 | Very low | 211 Ų | 211 | 148.7 Ų | 148.7 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -95.3 | 12.8 | -174.6 | -145 | -172.7 | -170.6 | -165 | 4.7 | 115.3 | ||
| 540 | Y | 36.3 | Very low | 35.7 | Very low | 206 Ų | 206 | 147.8 Ų | 147.8 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -132.3 | 134.9 | -178.4 | -85.3 | -85 | 0 | 0 | 0 | 113.1 | ||
| 541 | E | 37.1 | Very low | 36 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -66.7 | 131.2 | 164.8 | -77.7 | -171.7 | 140.8 | 0 | 0 | 110.5 | H543 | E541-H543 PolarHBondContact O-N 3.03Å; E541-H543 VanDerWaalsContact O-N 3.15Å | ||
| 542 | Q | 35.6 | Very low | 36.1 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -86.5 | 90.4 | -165.1 | -171.7 | 167.4 | -16.4 | 0 | 0 | 111.9 | S544 | Q542-S544 PolarHBondContact O-N 2.88Š| ||
| 543 | H | 29.8 | Very low | 36.3 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -72.3 | 112.8 | 159.3 | -92 | 78.4 | 0 | 0 | 0 | 109.5 | E541 N545 | E541-H543 PolarHBondContact O-N 3.03Å; E541-H543 VanDerWaalsContact O-N 3.15Å; H543-N545 PolarHBondContact O-N 3.14Å; H543-N545 VanDerWaalsContact O-N 3.09Å | ||
| 544 | S | 38 | Very low | 36.8 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -68.2 | 101.6 | 179.8 | 54 | 0 | 0 | 0 | 0 | 111.7 | Q542 | Q542-S544 PolarHBondContact O-N 2.88Š|
| 545 | N | 41.6 | Very low | 36.9 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 170.4 | 77.7 | 134.7 | -173.3 | 18.6 | 0 | 0 | 0 | 112 | H543 | H543-N545 PolarHBondContact O-N 3.14Å; H543-N545 VanDerWaalsContact O-N 3.09Å | ||
| 546 | M | 33.9 | Very low | 37.2 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -145.7 | 112.4 | 158.5 | -72.3 | -160.2 | 78.9 | 0 | 0 | 109.9 | ||||
| 547 | N | 35.3 | Very low | 37.3 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -84.5 | 144 | 167.7 | -75.4 | -16.2 | 0 | 0 | 0 | 109.9 | ||||
| 548 | N | 42.3 | Very low | 37.1 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | 63.9 | 83.9 | 178.1 | -65.5 | -10.1 | 0 | 0 | 0 | 116.9 | ||||
| 549 | V | 40.4 | Very low | 37.2 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -125.7 | 124 | 148.1 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | L551 | V549-L551 PolarHBondContact O-N 3.22Š| ||
| 550 | S | 34.9 | Very low | 37.1 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -78 | 110.1 | 172.7 | 50.7 | 0 | 0 | 0 | 0 | 109.3 | S552 | S550-S552 PolarHBondContact O-N 3.21Š| ||
| 551 | L | 38.3 | Very low | 37.2 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -61.6 | 131.2 | 177.2 | -74.4 | 165.6 | 0 | 0 | 0 | 111.1 | V549 | V549-L551 PolarHBondContact O-N 3.22Š| ||
| 552 | S | 37.6 | Very low | 37.2 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 47% | 0.469 | 78% | 0.777 | S | S | . | * | trans | -87.9 | 150.6 | 175.7 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | S550 C554 D555 | S550-S552 PolarHBondContact O-N 3.21Å; S552-C554 PolarHBondContact O-N 3.3Å; S552-D555 PolarHBondContact O-N 3.3Å; S552-D555 VanDerWaalsContact O-N 3.11Å | ||
| 553 | L | 38.5 | Very low | 37.3 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 3.1 | 177.1 | -115.6 | 151.7 | 0 | 0 | 0 | 113.9 | ||
| 554 | C | 39.8 | Very low | 37.8 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -13.3 | 173 | -59.1 | 0 | 0 | 0 | 0 | 114 | S552 | S552-C554 PolarHBondContact O-N 3.3Š|
| 555 | D | 38.9 | Very low | 37.7 | Very low | 105 Ų | 105 | 137 Ų | 137 | 56% | 0.561 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -94.2 | 13.4 | -170.7 | -64.4 | -47.7 | 0 | 0 | 0 | 114.3 | S552 | S552-D555 PolarHBondContact O-N 3.3Å; S552-D555 VanDerWaalsContact O-N 3.11Å |
| 556 | V | 40.8 | Very low | 37.5 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 44% | 0.442 | 77% | 0.767 | S | S | . | * | trans | -126.4 | 128.1 | 178.4 | -161.5 | 0 | 0 | 0 | 0 | 111.5 | L536 | L536-V556 HydrophobicContact CB-CG1 4.22Å; L536-V556 HydrophobicContact CD2-CG1 3.54Å; L536-V556 HydrophobicContact CG-CG1 4.41Å | ||
| 557 | Q | 35.7 | Very low | 37.7 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 118.3 | -179.2 | -172.5 | 168.2 | 2.1 | 0 | 0 | 110.3 | T559 | Q557-T559 PolarHBondContact O-N 2.91Š|
| 558 | L | 34 | Very low | 37.9 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 120.3 | 168.6 | -80.6 | 157.8 | 0 | 0 | 0 | 109.6 | ||
| 559 | T | 34.8 | Very low | 37.6 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -83 | 116.4 | 164.2 | 47.8 | 0 | 0 | 0 | 0 | 109.1 | Q557 | Q557-T559 PolarHBondContact O-N 2.91Š|
| 560 | T | 36 | Very low | 37.3 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 127.3 | 166.5 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 561 | D | 38.9 | Very low | 37.6 | Very low | 243 Ų | 243 | 134.2 Ų | 134.2 | 100% | 1.299 | 75% | 0.751 | S | S | * | * | trans | -68.9 | 0 | 155.3 | -74.3 | -37.2 | 0 | 0 | 0 | 110.6 |
Retrieved 561 of 561 residues in 72 ms
(Link to these results)