| 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 | 45.6 | Very low | 42.2 | Very low | 255 Ų | 255 | 141 Ų | 141 | 100% | 1.256 | 82% | 0.817 | S | S | * | * | 0 | 105.7 | 0 | -71.5 | -166.2 | 176.2 | 0 | 0 | 107.7 | |||||
| 2 | G | 40.3 | Very low | 43.4 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -139.1 | 89.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | C4 | G2-C4 PolarHBondContact O-N 3.15Š| ||
| 3 | S | 41 | Very low | 44.8 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -80.4 | 105.3 | 176.9 | -163.9 | 0 | 0 | 0 | 0 | 107.2 | L5 | S3-L5 PolarHBondContact O-N 3.34Å; S3-L5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | C | 38 | Very low | 46.2 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -62.9 | 109.5 | 167.9 | -27.7 | 0 | 0 | 0 | 0 | 106.6 | G2 S6 | G2-C4 PolarHBondContact O-N 3.15Å; C4-S6 PolarHBondContact O-N 3.38Å; C4-S6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | L | 41.5 | Very low | 47.1 | Very low | 166 Ų | 166 | 123.8 Ų | 123.8 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | trans | -72.6 | 102.2 | 165.5 | -75.4 | 162.7 | 0 | 0 | 0 | 106.4 | S3 C7 | S3-L5 PolarHBondContact O-N 3.34Å; S3-L5 VanDerWaalsContact O-N 3.15Å; L5-C7 PolarHBondContact O-N 3.3Å | ||
| 6 | S | 41.2 | Very low | 48.3 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -48.4 | 123.1 | 168.6 | -41.9 | 0 | 0 | 0 | 0 | 109 | C4 | C4-S6 PolarHBondContact O-N 3.38Å; C4-S6 VanDerWaalsContact O-N 3.12Å | ||
| 7 | C | 35.5 | Very low | 49.9 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 76% | 0.757 | 70% | 0.698 | S | S | * | * | trans | -49.7 | 134.6 | 160.6 | -58.5 | 0 | 0 | 0 | 0 | 107.6 | L5 E9 | L5-C7 PolarHBondContact O-N 3.3Å; C7-E9 PolarHBondContact O-N 3.12Å | ||
| 8 | P | 46.8 | Very low | 51.6 | Low | 127 Ų | 127 | 123.1 Ų | 123.1 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | trans | -60.2 | 113.1 | 169.9 | 25.6 | -29.9 | 0 | 0 | 0 | 106.2 | K10 | P8-K10 PolarHBondContact O-N 3.27Š| ||
| 9 | E | 38.2 | Very low | 53.4 | Low | 171 Ų | 171 | 118.2 Ų | 118.2 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | trans | -46.4 | 127.7 | 175.5 | -165.2 | 170.4 | 143.5 | 0 | 0 | 107.8 | C7 E11 | C7-E9 PolarHBondContact O-N 3.12Å; E9-E11 PolarHBondContact O-N 3.3Å | ||
| 10 | K | 48.1 | Very low | 55.3 | Low | 163 Ų | 163 | 114.3 Ų | 114.3 | 71% | 0.709 | 65% | 0.652 | S | S | * | * | trans | -53.6 | 95.6 | 172.4 | -172 | 177.5 | -174.8 | -178.9 | 0 | 106.2 | P8 S12 H50 | P8-K10 PolarHBondContact O-N 3.27Å; K10-S12 VanDerWaalsContact C-N 3.28Å; K10-S12 PolarHBondContact O-N 3.23Å; K10-H50 PolarHBondContact NZ-NE2 2.75Å; K10-H50 VanDerWaalsContact NZ-NE2 3.19Å | ||
| 11 | E | 48.6 | Very low | 57.1 | Low | 146 Ų | 146 | 108.9 Ų | 108.9 | 68% | 0.682 | 62% | 0.621 | S | S | * | * | trans | -58.1 | 93.4 | -170.6 | -169.1 | -179.9 | 154.2 | 0 | 0 | 107.6 | E9 V13 | E9-E11 PolarHBondContact O-N 3.3Å; E11-V13 PolarHBondContact O-N 2.9Å | ||
| 12 | S | 56.6 | Low | 59.4 | Low | 96 Ų | 96 | 102.2 Ų | 102.2 | 67% | 0.671 | 59% | 0.585 | S | S | * | * | trans | -70.7 | 90.5 | 176.1 | 54.9 | 0 | 0 | 0 | 0 | 104.8 | K10 P14 | K10-S12 VanDerWaalsContact C-N 3.28Å; K10-S12 PolarHBondContact O-N 3.23Å; S12-P14 WeakPolarHBondContact O-CD 3.39Å | ||
| 13 | V | 60.8 | Low | 62 | Low | 28 Ų | 28 | 98.8 Ų | 98.8 | 17% | 0.17 | 55% | 0.55 | C | S | . | . | trans | -47.1 | 116.9 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 106.5 | E11 D15 H17 K20 | E11-V13 PolarHBondContact O-N 2.9Å; V13-D15 PolarHBondContact O-N 3.32Å; V13-H17 HydrophobicContact CG1-CB 3.67Å; V13-K20 HydrophobicContact CG1-CB 3.68Å; V13-K20 HydrophobicContact CG1-CD 3.85Å; V13-K20 HydrophobicContact CG1-CG 4.38Å; V13-K20 HydrophobicContact CG2-CD 3.91Å | ||
| 14 | P | 64.3 | Low | 64.5 | Low | 78 Ų | 78 | 95.6 Ų | 95.6 | 51% | 0.506 | 52% | 0.523 | S | S | . | . | trans | -55.2 | 138.4 | 179.7 | 21 | -31.4 | 0 | 0 | 0 | 107.6 | S12 N16 H17 | S12-P14 WeakPolarHBondContact O-CD 3.39Å; P14-N16 CarbonylContact O-C 3.58Å; P14-N16 PolarHBondContact O-N 2.99Å; P14-H17 PolarHBondContact O-N 3.31Å | ||
| 15 | D | 59.7 | Low | 67.2 | Low | 104 Ų | 104 | 91.9 Ų | 91.9 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -22 | -177.9 | -156.6 | -112.4 | 0 | 0 | 0 | 112.6 | V13 K22 R93 | V13-D15 PolarHBondContact O-N 3.32Å; D15-K22 WeakPolarHBondContact OD2-CD 3.39Å; D15-K22 WeakPolarHBondContact OD2-CE 3.46Å; D15-K22 IonicContact OD2-NZ 3.82Å; D15-K22 PolarHBondContact OD2-NZ 3Å; D15-R93 PolarHBondContact O-NH1 3.46Å |
| 16 | N | 66 | Low | 69.7 | Low | 137 Ų | 137 | 84.8 Ų | 84.8 | 73% | 0.733 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 51.2 | 176.1 | -156.2 | -50.1 | 0 | 0 | 0 | 112.2 | P14 | P14-N16 CarbonylContact O-C 3.58Å; P14-N16 PolarHBondContact O-N 2.99Å |
| 17 | H | 76 | Confident | 72.1 | Confident | 54 Ų | 54 | 81.7 Ų | 81.7 | 25% | 0.25 | 43% | 0.434 | C | S | . | . | trans | -81.3 | 138.6 | 166.3 | -153.1 | -78.3 | 0 | 0 | 0 | 108.9 | V13 P14 S19 K20 R93 | V13-H17 HydrophobicContact CG1-CB 3.67Å; P14-H17 PolarHBondContact O-N 3.31Å; H17-S19 PolarHBondContact CE1-OG 3.46Å; H17-S19 PolarHBondContact ND1-OG 2.76Å; H17-K20 HydrophobicContact CB-CB 3.8Å; H17-K20 HydrophobicContact CB-CG 4.49Å; H17-R93 PolarHBondContact O-NH1 2.73Å; H17-R93 PolarHBondContact O-NH2 2.72Å | ||
| 18 | Q | 81.2 | Confident | 74.7 | Confident | 167 Ų | 167 | 84.3 Ų | 84.3 | 78% | 0.78 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -68.2 | -38.1 | -176.3 | -168.4 | 170.7 | 13.5 | 0 | 0 | 111.8 | F21 M100 | Q18-F21 WeakPolarHBondContact O-CZ 3.29Å; Q18-M100 VanDerWaalsContact O-CE 3.26Å; Q18-M100 WeakPolarHBondContact O-CE 3.37Å |
| 19 | S | 85.9 | Confident | 76.8 | Confident | 31 Ų | 31 | 84 Ų | 84 | 22% | 0.217 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -105.7 | -5.3 | -178.5 | 58.7 | 0 | 0 | 0 | 0 | 115.6 | H17 E39 L40 | H17-S19 PolarHBondContact CE1-OG 3.46Å; H17-S19 PolarHBondContact ND1-OG 2.76Å; S19-E39 WeakPolarHBondContact O-CA 3.48Å; S19-L40 PolarHBondContact O-N 2.74Å |
| 20 | K | 91.6 | Very high | 79 | Confident | 39 Ų | 39 | 78 Ų | 78 | 17% | 0.17 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.5 | -175.8 | -55.8 | -177.5 | -170.5 | -125.7 | 0 | 111 | V13 H17 V37 M38 E39 | V13-K20 HydrophobicContact CG1-CB 3.68Å; V13-K20 HydrophobicContact CG1-CD 3.85Å; V13-K20 HydrophobicContact CG1-CG 4.38Å; V13-K20 HydrophobicContact CG2-CD 3.91Å; H17-K20 HydrophobicContact CB-CB 3.8Å; H17-K20 HydrophobicContact CB-CG 4.49Å; K20-V37 HydrophobicContact CB-CG1 3.84Å; K20-M38 CarbonylContact C-O 3.56Å; K20-M38 VanDerWaalsContact CA-O 3.3Å; K20-M38 WeakPolarHBondContact CA-O 3.19Å; K20-E39 VanDerWaalsContact CE-CD 3.46Å; K20-E39 WeakPolarHBondContact CE-OE1 3.47Å; K20-E39 VanDerWaalsContact CE-OE2 3.26Å; K20-E39 WeakPolarHBondContact CE-OE2 3.3Å; K20-E39 HydrophobicContact CG-CB 4.07Å; K20-E39 HydrophobicContact CG-CG 3.93Å; K20-E39 VanDerWaalsContact NZ-CD 3.28Å; K20-E39 IonicContact NZ-OE1 3Å; K20-E39 PolarHBondContact NZ-OE1 3.1Å; K20-E39 IonicContact NZ-OE2 3.23Å; K20-E39 PolarHBondContact NZ-OE2 3.23Å |
| 21 | F | 92.6 | Very high | 81.1 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 0% | 0.004 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 133.4 | -172.1 | -55.3 | -92.9 | 0 | 0 | 0 | 110.4 | Q18 V23 V37 M38 L40 R93 E96 I97 M100 | Q18-F21 WeakPolarHBondContact O-CZ 3.29Å; F21-V23 HydrophobicContact CB-CG1 4.41Å; F21-V23 PolarHBondContact O-N 3.19Å; F21-V37 CarbonylContact O-C 3.59Å; F21-V37 WeakPolarHBondContact O-CA 3.43Å; F21-M38 PolarHBondContact N-O 3.33Å; F21-M38 PolarHBondContact O-N 3.23Å; F21-L40 HydrophobicContact CD2-CD1 3.93Å; F21-L40 HydrophobicContact CE2-CD1 3.8Å; F21-R93 HydrophobicContact CD1-CB 3.69Å; F21-R93 HydrophobicContact CE1-CB 4.1Å; F21-E96 HydrophobicContact CE1-CB 3.68Å; F21-E96 HydrophobicContact CZ-CB 4.15Å; F21-I97 HydrophobicContact CB-CD1 3.71Å; F21-I97 HydrophobicContact CB-CG1 3.97Å; F21-I97 HydrophobicContact CD1-CD1 4.3Å; F21-I97 HydrophobicContact CD1-CG1 3.74Å; F21-I97 HydrophobicContact CD2-CD1 4.1Å; F21-I97 HydrophobicContact CD2-CG1 3.45Å; F21-I97 VanDerWaalsContact CD2-CG1 3.45Å; F21-I97 HydrophobicContact CE1-CG1 4.03Å; F21-I97 HydrophobicContact CE2-CG1 3.79Å; F21-I97 HydrophobicContact CG-CD1 3.78Å; F21-I97 HydrophobicContact CG-CG1 3.43Å; F21-I97 VanDerWaalsContact CG-CG1 3.43Å; F21-I97 HydrophobicContact CZ-CG1 4.06Å; F21-M100 HydrophobicContact CE2-CE 3.25Å; F21-M100 HydrophobicContact CZ-CE 3.44Å; F21-M100 VanDerWaalsContact CZ-CE 3.44Å |
| 22 | K | 93.2 | Very high | 83.2 | Confident | 115 Ų | 115 | 73.1 Ų | 73.1 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 125.6 | 171.8 | -67.9 | 177 | -171.5 | 159.3 | 0 | 109 | D15 C91 | D15-K22 WeakPolarHBondContact OD2-CD 3.39Å; D15-K22 WeakPolarHBondContact OD2-CE 3.46Å; D15-K22 IonicContact OD2-NZ 3.82Å; D15-K22 PolarHBondContact OD2-NZ 3Å; K22-C91 PolarHBondContact O-SG 3.48Å |
| 23 | V | 94.6 | Very high | 84.7 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.3 | -177.9 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | F21 S35 G36 M38 L47 F89 K90 C91 I97 | F21-V23 HydrophobicContact CB-CG1 4.41Å; F21-V23 PolarHBondContact O-N 3.19Å; V23-S35 CarbonylContact O-C 3.59Å; V23-S35 WeakPolarHBondContact O-CA 3.33Å; V23-G36 PolarHBondContact N-O 3.42Å; V23-G36 PolarHBondContact O-N 2.64Å; V23-M38 HydrophobicContact CB-CB 4.43Å; V23-M38 HydrophobicContact CG1-CB 3.6Å; V23-M38 HydrophobicContact CG2-CB 3.91Å; V23-L47 HydrophobicContact CG2-CD1 3.55Å; V23-F89 HydrophobicContact CB-CB 4.05Å; V23-F89 HydrophobicContact CB-CD1 4.19Å; V23-F89 HydrophobicContact CB-CG 4.41Å; V23-F89 HydrophobicContact CG1-CB 4.39Å; V23-F89 HydrophobicContact CG2-CD1 3.87Å; V23-F89 HydrophobicContact CG2-CE1 4.49Å; V23-F89 HydrophobicContact CG2-CG 4.43Å; V23-K90 CarbonylContact C-O 3.6Å; V23-K90 WeakPolarHBondContact CA-O 3.34Å; V23-C91 HydrophobicContact CG1-CB 3.94Å; V23-I97 HydrophobicContact CG1-CD1 4.09Å |
| 24 | I | 95.1 | Very high | 86.1 | Confident | 48 Ų | 48 | 74 Ų | 74 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.1 | 173.5 | -56.7 | 168.7 | 0 | 0 | 0 | 107.5 | V26 E32 G34 F89 K90 | I24-V26 PolarHBondContact O-N 2.96Å; I24-E32 HydrophobicContact CG2-CB 3.73Å; I24-E32 HydrophobicContact CG2-CG 3.79Å; I24-G34 CarbonylContact C-O 3.52Å; I24-G34 WeakPolarHBondContact CA-O 3.49Å; I24-F89 CarbonylContact O-C 3.59Å; I24-F89 VanDerWaalsContact O-CA 3.27Å; I24-F89 WeakPolarHBondContact O-CA 3.46Å; I24-K90 HydrophobicContact CB-CB 4.27Å; I24-K90 PolarHBondContact N-O 2.65Å; I24-K90 PolarHBondContact O-N 3.31Å |
| 25 | N | 93.9 | Very high | 87.5 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 19% | 0.187 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 130.8 | 175.2 | -172.6 | -4.3 | 0 | 0 | 0 | 109.3 | L33 G34 F89 | N25-L33 HydrophobicContact CB-CB 4.36Å; N25-L33 PolarHBondContact O-N 3.03Å; N25-G34 PolarHBondContact N-O 2.82Å; N25-F89 HydrophobicContact CB-CD1 4.15Å; N25-F89 HydrophobicContact CB-CE1 3.9Å |
| 26 | V | 94.5 | Very high | 89 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.1 | 177.6 | -61 | 0 | 0 | 0 | 0 | 111.1 | I24 N31 E32 L71 A88 K90 | I24-V26 PolarHBondContact O-N 2.96Å; V26-N31 CarbonylContact C-O 3.49Å; V26-N31 VanDerWaalsContact CA-O 3.23Å; V26-N31 WeakPolarHBondContact CA-O 3.38Å; V26-E32 HydrophobicContact CG1-CG 4.47Å; V26-L71 HydrophobicContact CG2-CD1 3.88Å; V26-A88 HydrophobicContact CG2-CB 3.61Å; V26-A88 WeakPolarHBondContact CG2-O 3.45Å; V26-A88 PolarHBondContact N-O 2.86Å; V26-A88 VanDerWaalsContact N-O 3.07Å; V26-K90 HydrophobicContact CG1-CB 4.11Å |
| 27 | D | 91.7 | Very high | 90.3 | Very high | 46 Ų | 46 | 65.1 Ų | 65.1 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | trans | -81.8 | 179.7 | 173.4 | 67.4 | 15.2 | 0 | 0 | 0 | 112.6 | D29 G30 N31 L33 | D27-D29 PolarHBondContact O-N 3.18Å; D27-D29 VanDerWaalsContact OD1-C 3.27Å; D27-D29 WeakPolarHBondContact OD1-CA 3.1Å; D27-D29 WeakPolarHBondContact OD1-CB 3.46Å; D27-D29 PolarHBondContact OD1-N 3.05Å; D27-G30 PolarHBondContact O-N 2.98Å; D27-G30 PolarHBondContact OD1-N 3.41Å; D27-N31 PolarHBondContact N-O 3.3Å; D27-N31 PolarHBondContact OD1-N 2.99Å; D27-N31 PolarHBondContact OD1-ND2 2.85Å; D27-N31 WeakPolarHBondContact OD2-CB 3.26Å; D27-N31 PolarHBondContact OD2-ND2 2.82Å; D27-L33 HydrophobicContact CB-CD1 3.94Å; D27-L33 HydrophobicContact CB-CD2 4.13Å; D27-L33 HydrophobicContact CB-CG 4.07Å | ||
| 28 | D | 90.1 | Very high | 91.3 | Very high | 167 Ų | 167 | 62.5 Ų | 62.5 | 89% | 0.893 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.3 | 177.4 | -62.4 | -53.8 | 0 | 0 | 0 | 113 | ||
| 29 | D | 89.6 | Confident | 91.9 | Very high | 120 Ų | 120 | 56.3 Ų | 56.3 | 64% | 0.642 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -3.8 | 176.6 | -63.7 | -65.9 | 0 | 0 | 0 | 111.8 | D27 N31 | D27-D29 PolarHBondContact O-N 3.18Å; D27-D29 VanDerWaalsContact OD1-C 3.27Å; D27-D29 WeakPolarHBondContact OD1-CA 3.1Å; D27-D29 WeakPolarHBondContact OD1-CB 3.46Å; D27-D29 PolarHBondContact OD1-N 3.05Å; D29-N31 WeakPolarHBondContact CB-ND2 3.42Å |
| 30 | G | 85.9 | Confident | 92.2 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | trans | 84.1 | 8.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | D27 | D27-G30 PolarHBondContact O-N 2.98Å; D27-G30 PolarHBondContact OD1-N 3.41Å | ||
| 31 | N | 91.6 | Very high | 92.2 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | trans | -75.6 | 142.8 | 178.7 | -50.8 | -63.2 | 0 | 0 | 0 | 111.5 | V26 D27 D29 L33 | V26-N31 CarbonylContact C-O 3.49Å; V26-N31 VanDerWaalsContact CA-O 3.23Å; V26-N31 WeakPolarHBondContact CA-O 3.38Å; D27-N31 PolarHBondContact N-O 3.3Å; D27-N31 PolarHBondContact OD1-N 2.99Å; D27-N31 PolarHBondContact OD1-ND2 2.85Å; D27-N31 WeakPolarHBondContact OD2-CB 3.26Å; D27-N31 PolarHBondContact OD2-ND2 2.82Å; D29-N31 WeakPolarHBondContact CB-ND2 3.42Å; N31-L33 PolarHBondContact O-N 3.34Å | ||
| 32 | E | 93 | Very high | 92 | Very high | 112 Ų | 112 | 62.8 Ų | 62.8 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 109.5 | -178.5 | -61.6 | -177.5 | 172.6 | 0 | 0 | 111 | I24 V26 K90 | I24-E32 HydrophobicContact CG2-CB 3.73Å; I24-E32 HydrophobicContact CG2-CG 3.79Å; V26-E32 HydrophobicContact CG1-CG 4.47Å; E32-K90 IonicContact OE1-NZ 3.57Å; E32-K90 PolarHBondContact OE1-NZ 2.81Å |
| 33 | L | 88.1 | Confident | 91.7 | Very high | 106 Ų | 106 | 61.1 Ų | 61.1 | 56% | 0.555 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | -26.2 | -179.8 | -64.2 | 178.2 | 0 | 0 | 0 | 113 | N25 D27 N31 | N25-L33 HydrophobicContact CB-CB 4.36Å; N25-L33 PolarHBondContact O-N 3.03Å; D27-L33 HydrophobicContact CB-CD1 3.94Å; D27-L33 HydrophobicContact CB-CD2 4.13Å; D27-L33 HydrophobicContact CB-CG 4.07Å; N31-L33 PolarHBondContact O-N 3.34Å |
| 34 | G | 89.9 | Confident | 91.6 | Very high | 37 Ų | 37 | 63.3 Ų | 63.3 | 38% | 0.381 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.9 | 154.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I24 N25 | I24-G34 CarbonylContact C-O 3.52Å; I24-G34 WeakPolarHBondContact CA-O 3.49Å; N25-G34 PolarHBondContact N-O 2.82Å |
| 35 | S | 92.5 | Very high | 91.6 | Very high | 87 Ų | 87 | 61 Ų | 61 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 143.2 | 177.3 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | V23 | V23-S35 CarbonylContact O-C 3.59Å; V23-S35 WeakPolarHBondContact O-CA 3.33Å |
| 36 | G | 92.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 13% | 0.134 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | -176.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V23 H48 | V23-G36 PolarHBondContact N-O 3.42Å; V23-G36 PolarHBondContact O-N 2.64Å; G36-H48 CarbonylContact C-O 3.45Å; G36-H48 WeakPolarHBondContact CA-O 3.26Å |
| 37 | V | 93.8 | Very high | 91.6 | Very high | 31 Ų | 31 | 59.4 Ų | 59.4 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.4 | 172.1 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | K20 F21 H48 | K20-V37 HydrophobicContact CB-CG1 3.84Å; F21-V37 CarbonylContact O-C 3.59Å; F21-V37 WeakPolarHBondContact O-CA 3.43Å; V37-H48 HydrophobicContact CB-CB 4.28Å; V37-H48 PolarHBondContact N-O 2.79Å; V37-H48 PolarHBondContact O-N 3.46Å |
| 38 | M | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126 | 171.4 | -169.7 | 64.6 | 76.7 | 0 | 0 | 109 | K20 F21 V23 L40 L45 V46 L47 W57 F74 F89 | K20-M38 CarbonylContact C-O 3.56Å; K20-M38 VanDerWaalsContact CA-O 3.3Å; K20-M38 WeakPolarHBondContact CA-O 3.19Å; F21-M38 PolarHBondContact N-O 3.33Å; F21-M38 PolarHBondContact O-N 3.23Å; V23-M38 HydrophobicContact CB-CB 4.43Å; V23-M38 HydrophobicContact CG1-CB 3.6Å; V23-M38 HydrophobicContact CG2-CB 3.91Å; M38-L40 HydrophobicContact CG-CD1 4.3Å; M38-L45 HydrophobicContact CE-CD2 4.36Å; M38-L45 HydrophobicContact CG-CD1 3.74Å; M38-L45 HydrophobicContact CG-CG 4.37Å; M38-L45 HydrophobicContact SD-CD1 3.58Å; M38-L45 VanDerWaalsContact SD-CD1 3.58Å; M38-L45 HydrophobicContact SD-CD2 3.94Å; M38-L45 HydrophobicContact SD-CG 3.53Å; M38-L45 VanDerWaalsContact SD-CG 3.53Å; M38-V46 CarbonylContact C-O 3.6Å; M38-V46 WeakPolarHBondContact CA-O 3.3Å; M38-L47 HydrophobicContact CE-CB 4.24Å; M38-L47 HydrophobicContact CE-CD1 4.14Å; M38-L47 HydrophobicContact SD-CB 4.19Å; M38-W57 HydrophobicContact CE-CZ3 4.33Å; M38-W57 HydrophobicContact SD-CZ3 4.45Å; M38-F74 HydrophobicContact CE-CE1 4.22Å; M38-F89 HydrophobicContact CE-CD1 4.27Å; M38-F89 HydrophobicContact CE-CD2 3.72Å; M38-F89 HydrophobicContact CE-CE1 4.12Å; M38-F89 HydrophobicContact CE-CE2 3.54Å; M38-F89 HydrophobicContact CE-CG 4.08Å; M38-F89 HydrophobicContact CE-CZ 3.75Å |
| 39 | E | 94.4 | Very high | 91.7 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.6 | 177.5 | 177.1 | 165.8 | -173.4 | 0 | 0 | 109.6 | S19 K20 T41 V46 H48 | S19-E39 WeakPolarHBondContact O-CA 3.48Å; K20-E39 VanDerWaalsContact CE-CD 3.46Å; K20-E39 WeakPolarHBondContact CE-OE1 3.47Å; K20-E39 VanDerWaalsContact CE-OE2 3.26Å; K20-E39 WeakPolarHBondContact CE-OE2 3.3Å; K20-E39 HydrophobicContact CG-CB 4.07Å; K20-E39 HydrophobicContact CG-CG 3.93Å; K20-E39 VanDerWaalsContact NZ-CD 3.28Å; K20-E39 IonicContact NZ-OE1 3Å; K20-E39 PolarHBondContact NZ-OE1 3.1Å; K20-E39 IonicContact NZ-OE2 3.23Å; K20-E39 PolarHBondContact NZ-OE2 3.23Å; E39-T41 HydrophobicContact CG-CG2 4.04Å; E39-V46 HydrophobicContact CB-CB 4.41Å; E39-V46 PolarHBondContact N-O 2.85Å; E39-V46 PolarHBondContact O-N 2.8Å; E39-H48 IonicContact OE2-CD2 3.31Å; E39-H48 IonicContact OE2-NE2 2.65Å; E39-H48 PolarHBondContact OE2-NE2 2.97Å |
| 40 | L | 93.6 | Very high | 91.2 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 108.4 | 171.6 | -68.5 | 69.2 | 0 | 0 | 0 | 107.1 | S19 F21 M38 L45 I97 M100 L101 | S19-L40 PolarHBondContact O-N 2.74Å; F21-L40 HydrophobicContact CD2-CD1 3.93Å; F21-L40 HydrophobicContact CE2-CD1 3.8Å; M38-L40 HydrophobicContact CG-CD1 4.3Å; L40-L45 HydrophobicContact CD1-CD1 3.78Å; L40-L45 HydrophobicContact CG-CD1 3.66Å; L40-I97 HydrophobicContact CD1-CG2 4.18Å; L40-I97 HydrophobicContact CD2-CG2 4.43Å; L40-M100 HydrophobicContact CB-CE 3.99Å; L40-M100 HydrophobicContact CD1-CE 4.1Å; L40-M100 HydrophobicContact CD2-CB 3.97Å; L40-M100 HydrophobicContact CD2-CE 3.76Å; L40-M100 HydrophobicContact CD2-CG 3.93Å; L40-M100 HydrophobicContact CG-CE 4.15Å; L40-L101 HydrophobicContact CD2-CB 4.03Å |
| 41 | T | 91.5 | Very high | 90.7 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 23% | 0.233 | 33% | 0.332 | C | S | . | . | trans | -88.9 | 176.4 | 171.9 | 73.3 | 0 | 0 | 0 | 0 | 109.6 | E39 S43 E44 V46 Y59 | E39-T41 HydrophobicContact CG-CG2 4.04Å; T41-S43 PolarHBondContact O-N 2.62Å; T41-S43 PolarHBondContact OG1-N 2.88Å; T41-E44 WeakPolarHBondContact CB-O 3.44Å; T41-E44 PolarHBondContact N-O 2.98Å; T41-E44 WeakPolarHBondContact OG1-CG 3.32Å; T41-E44 PolarHBondContact OG1-N 2.83Å; T41-E44 PolarHBondContact OG1-O 3.26Å; T41-V46 HydrophobicContact CG2-CG2 4.09Å; T41-Y59 PolarHBondContact N-OH 2.99Å; T41-Y59 VanDerWaalsContact O-CE2 3.3Å; T41-Y59 WeakPolarHBondContact O-CE2 3.47Å; T41-Y59 PolarHBondContact O-OH 2.75Å | ||
| 42 | E | 86.9 | Confident | 90.2 | Very high | 160 Ų | 160 | 68 Ų | 68 | 75% | 0.748 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -63.9 | -29 | 174.8 | -65.3 | 176.3 | -178.5 | 0 | 0 | 112.2 | Y59 H108 | E42-Y59 WeakPolarHBondContact O-CE2 3.47Å; E42-H108 PolarHBondContact O-CE1 3.35Å; E42-H108 PolarHBondContact O-ND1 3.2Å; E42-H108 PolarHBondContact O-NE2 3.32Å |
| 43 | S | 87.4 | Confident | 89.9 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 57% | 0.566 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -113.6 | -24.1 | -170.6 | 66.2 | 0 | 0 | 0 | 0 | 115.3 | T41 Y59 | T41-S43 PolarHBondContact O-N 2.62Å; T41-S43 PolarHBondContact OG1-N 2.88Å; S43-Y59 WeakPolarHBondContact O-CD2 3.48Å |
| 44 | E | 93.3 | Very high | 90.1 | Very high | 47 Ų | 47 | 67.2 Ų | 67.2 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 154.7 | -173.6 | 56.9 | -175.2 | 177.5 | 0 | 0 | 113 | T41 V46 R56 Y59 | T41-E44 WeakPolarHBondContact CB-O 3.44Å; T41-E44 PolarHBondContact N-O 2.98Å; T41-E44 WeakPolarHBondContact OG1-CG 3.32Å; T41-E44 PolarHBondContact OG1-N 2.83Å; T41-E44 PolarHBondContact OG1-O 3.26Å; E44-V46 HydrophobicContact CG-CG2 3.92Å; E44-R56 WeakPolarHBondContact OE1-CD 3.45Å; E44-Y59 PolarHBondContact O-OH 3.12Å |
| 45 | L | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.7 | 170.2 | -174.7 | 71.6 | 0 | 0 | 0 | 108.9 | M38 L40 R56 W57 Y59 F72 F74 | M38-L45 HydrophobicContact CE-CD2 4.36Å; M38-L45 HydrophobicContact CG-CD1 3.74Å; M38-L45 HydrophobicContact CG-CG 4.37Å; M38-L45 HydrophobicContact SD-CD1 3.58Å; M38-L45 VanDerWaalsContact SD-CD1 3.58Å; M38-L45 HydrophobicContact SD-CD2 3.94Å; M38-L45 HydrophobicContact SD-CG 3.53Å; M38-L45 VanDerWaalsContact SD-CG 3.53Å; L40-L45 HydrophobicContact CD1-CD1 3.78Å; L40-L45 HydrophobicContact CG-CD1 3.66Å; L45-R56 CarbonylContact O-C 3.53Å; L45-R56 WeakPolarHBondContact O-CA 3.44Å; L45-W57 HydrophobicContact CB-CB 4.34Å; L45-W57 HydrophobicContact CD2-CE3 4.29Å; L45-W57 HydrophobicContact CG-CE3 4.35Å; L45-W57 PolarHBondContact N-O 2.9Å; L45-W57 PolarHBondContact O-N 2.81Å; L45-Y59 HydrophobicContact CB-CE1 3.95Å; L45-F72 HydrophobicContact CD2-CE1 4.28Å; L45-F74 HydrophobicContact CD2-CD1 3.9Å; L45-F74 HydrophobicContact CD2-CE1 3.39Å; L45-F74 HydrophobicContact CD2-CE2 4.39Å; L45-F74 HydrophobicContact CD2-CZ 3.69Å |
| 46 | V | 94.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.9 | -175.6 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | M38 E39 T41 E44 D54 V55 R56 | M38-V46 CarbonylContact C-O 3.6Å; M38-V46 WeakPolarHBondContact CA-O 3.3Å; E39-V46 HydrophobicContact CB-CB 4.41Å; E39-V46 PolarHBondContact N-O 2.85Å; E39-V46 PolarHBondContact O-N 2.8Å; T41-V46 HydrophobicContact CG2-CG2 4.09Å; E44-V46 HydrophobicContact CG-CG2 3.92Å; V46-D54 HydrophobicContact CG1-CB 4.21Å; V46-V55 CarbonylContact C-O 3.59Å; V46-V55 WeakPolarHBondContact CA-O 3.27Å; V46-R56 HydrophobicContact CG1-CG 4.06Å; V46-R56 HydrophobicContact CG2-CG 4.04Å |
| 47 | L | 94.6 | Very high | 90.4 | Very high | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 111.3 | 170.2 | 174.8 | 73.6 | 0 | 0 | 0 | 109.9 | V23 M38 T49 D54 V55 W57 F89 | V23-L47 HydrophobicContact CG2-CD1 3.55Å; M38-L47 HydrophobicContact CE-CB 4.24Å; M38-L47 HydrophobicContact CE-CD1 4.14Å; M38-L47 HydrophobicContact SD-CB 4.19Å; L47-T49 HydrophobicContact CD2-CG2 3.75Å; L47-T49 HydrophobicContact CG-CG2 3.74Å; L47-D54 WeakPolarHBondContact O-CA 3.38Å; L47-V55 HydrophobicContact CB-CB 4.38Å; L47-V55 PolarHBondContact N-O 2.77Å; L47-V55 PolarHBondContact O-N 3.37Å; L47-W57 HydrophobicContact CB-CH2 3.81Å; L47-W57 HydrophobicContact CB-CZ3 3.48Å; L47-W57 VanDerWaalsContact CB-CZ3 3.48Å; L47-W57 HydrophobicContact CD2-CH2 4.03Å; L47-F89 HydrophobicContact CD1-CE1 4.05Å; L47-F89 HydrophobicContact CD2-CE1 3.69Å; L47-F89 HydrophobicContact CD2-CZ 3.91Å; L47-F89 HydrophobicContact CG-CE1 4.49Å |
| 48 | H | 92.7 | Very high | 90.4 | Very high | 52 Ų | 52 | 68.8 Ų | 68.8 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 116.6 | 169.6 | -62.3 | -70.3 | 0 | 0 | 0 | 109.8 | G36 V37 E39 D54 | G36-H48 CarbonylContact C-O 3.45Å; G36-H48 WeakPolarHBondContact CA-O 3.26Å; V37-H48 HydrophobicContact CB-CB 4.28Å; V37-H48 PolarHBondContact N-O 2.79Å; V37-H48 PolarHBondContact O-N 3.46Å; E39-H48 IonicContact OE2-CD2 3.31Å; E39-H48 IonicContact OE2-NE2 2.65Å; E39-H48 PolarHBondContact OE2-NE2 2.97Å; H48-D54 WeakPolarHBondContact CA-OD1 3.46Å; H48-D54 IonicContact CE1-OD1 3.27Å; H48-D54 IonicContact CE1-OD2 3.95Å; H48-D54 PolarHBondContact CE1-OD2 3.32Å; H48-D54 VanDerWaalsContact CE1-OD2 3.23Å; H48-D54 IonicContact CG-OD1 2.71Å; H48-D54 IonicContact ND1-OD1 3.51Å; H48-D54 PolarHBondContact ND1-OD1 3.43Å; H48-D54 IonicContact ND1-OD2 3.08Å; H48-D54 PolarHBondContact ND1-OD2 2.6Å |
| 49 | T | 91.1 | Very high | 90.2 | Very high | 36 Ų | 36 | 68.8 Ų | 68.8 | 22% | 0.221 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 146.7 | 176.3 | 76.5 | 0 | 0 | 0 | 0 | 110.4 | L47 R51 R52 | L47-T49 HydrophobicContact CD2-CG2 3.75Å; L47-T49 HydrophobicContact CG-CG2 3.74Å; T49-R51 PolarHBondContact O-N 2.83Å; T49-R52 WeakPolarHBondContact OG1-CA 3.37Å; T49-R52 VanDerWaalsContact OG1-CB 3.29Å; T49-R52 WeakPolarHBondContact OG1-CB 3.45Å; T49-R52 PolarHBondContact OG1-N 3.03Å; T49-R52 PolarHBondContact OG1-O 3.27Å |
| 50 | H | 78.9 | Confident | 90 | Very high | 144 Ų | 144 | 73.6 Ų | 73.6 | 67% | 0.667 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -74.3 | -12.9 | -178.9 | -170 | -72.8 | 0 | 0 | 0 | 113.1 | K10 | K10-H50 PolarHBondContact NZ-NE2 2.75Å; K10-H50 VanDerWaalsContact NZ-NE2 3.19Å |
| 51 | R | 75.8 | Confident | 89.9 | Confident | 235 Ų | 235 | 74.4 Ų | 74.4 | 89% | 0.887 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -124.6 | -7.3 | -171.2 | -66.5 | -163.7 | 175.1 | -156.6 | 1.1 | 114.8 | T49 | T49-R51 PolarHBondContact O-N 2.83Š|
| 52 | R | 79.9 | Confident | 89.9 | Confident | 188 Ų | 188 | 73 Ų | 73 | 71% | 0.709 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -137.6 | 168.3 | -179 | -53.7 | -178.3 | -179.6 | 141.3 | 0.4 | 109.3 | T49 | T49-R52 WeakPolarHBondContact OG1-CA 3.37Å; T49-R52 VanDerWaalsContact OG1-CB 3.29Å; T49-R52 WeakPolarHBondContact OG1-CB 3.45Å; T49-R52 PolarHBondContact OG1-N 3.03Å; T49-R52 PolarHBondContact OG1-O 3.27Å |
| 53 | D | 88.1 | Confident | 90.1 | Very high | 142 Ų | 142 | 70 Ų | 70 | 76% | 0.759 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 153.4 | 171.8 | -58.9 | -49.8 | 0 | 0 | 0 | 111.3 | V55 | D53-V55 PolarHBondContact O-N 3.37Š|
| 54 | D | 91.5 | Very high | 90.4 | Very high | 60 Ų | 60 | 70 Ų | 70 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 130.4 | 175.6 | -64.9 | -23.3 | 0 | 0 | 0 | 110.1 | V46 L47 H48 | V46-D54 HydrophobicContact CG1-CB 4.21Å; L47-D54 WeakPolarHBondContact O-CA 3.38Å; H48-D54 WeakPolarHBondContact CA-OD1 3.46Å; H48-D54 IonicContact CE1-OD1 3.27Å; H48-D54 IonicContact CE1-OD2 3.95Å; H48-D54 PolarHBondContact CE1-OD2 3.32Å; H48-D54 VanDerWaalsContact CE1-OD2 3.23Å; H48-D54 IonicContact CG-OD1 2.71Å; H48-D54 IonicContact ND1-OD1 3.51Å; H48-D54 PolarHBondContact ND1-OD1 3.43Å; H48-D54 IonicContact ND1-OD2 3.08Å; H48-D54 PolarHBondContact ND1-OD2 2.6Å |
| 55 | V | 92.5 | Very high | 90.4 | Very high | 27 Ų | 27 | 68 Ų | 68 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.1 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | V46 L47 D53 W57 T82 | V46-V55 CarbonylContact C-O 3.59Å; V46-V55 WeakPolarHBondContact CA-O 3.27Å; L47-V55 HydrophobicContact CB-CB 4.38Å; L47-V55 PolarHBondContact N-O 2.77Å; L47-V55 PolarHBondContact O-N 3.37Å; D53-V55 PolarHBondContact O-N 3.37Å; V55-W57 HydrophobicContact CB-CH2 3.86Å; V55-W57 HydrophobicContact CB-CZ2 4.21Å; V55-W57 HydrophobicContact CB-CZ3 4.16Å; V55-W57 HydrophobicContact CG1-CD2 4.05Å; V55-W57 HydrophobicContact CG1-CE3 4.16Å; V55-W57 HydrophobicContact CG1-CH2 3.44Å; V55-W57 VanDerWaalsContact CG1-CH2 3.44Å; V55-W57 HydrophobicContact CG1-CZ2 3.29Å; V55-W57 HydrophobicContact CG1-CZ3 3.88Å; V55-T82 HydrophobicContact CG1-CG2 3.35Å; V55-T82 HydrophobicContact CG2-CG2 4.46Å |
| 56 | R | 93.8 | Very high | 90.4 | Very high | 122 Ų | 122 | 68.1 Ų | 68.1 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134 | -177 | -56.3 | -177.8 | -177.1 | 161.2 | 3 | 111.5 | E44 L45 V46 | E44-R56 WeakPolarHBondContact OE1-CD 3.45Å; L45-R56 CarbonylContact O-C 3.53Å; L45-R56 WeakPolarHBondContact O-CA 3.44Å; V46-R56 HydrophobicContact CG1-CG 4.06Å; V46-R56 HydrophobicContact CG2-CG 4.04Å |
| 57 | W | 94.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 71.1 Ų | 71.1 | 1% | 0.011 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 104.6 | 175.3 | -61.3 | -85.1 | 0 | 0 | 0 | 109.6 | M38 L45 L47 V55 Y59 L62 F74 T82 F87 F89 | M38-W57 HydrophobicContact CE-CZ3 4.33Å; M38-W57 HydrophobicContact SD-CZ3 4.45Å; L45-W57 HydrophobicContact CB-CB 4.34Å; L45-W57 HydrophobicContact CD2-CE3 4.29Å; L45-W57 HydrophobicContact CG-CE3 4.35Å; L45-W57 PolarHBondContact N-O 2.9Å; L45-W57 PolarHBondContact O-N 2.81Å; L47-W57 HydrophobicContact CB-CH2 3.81Å; L47-W57 HydrophobicContact CB-CZ3 3.48Å; L47-W57 VanDerWaalsContact CB-CZ3 3.48Å; L47-W57 HydrophobicContact CD2-CH2 4.03Å; V55-W57 HydrophobicContact CB-CH2 3.86Å; V55-W57 HydrophobicContact CB-CZ2 4.21Å; V55-W57 HydrophobicContact CB-CZ3 4.16Å; V55-W57 HydrophobicContact CG1-CD2 4.05Å; V55-W57 HydrophobicContact CG1-CE3 4.16Å; V55-W57 HydrophobicContact CG1-CH2 3.44Å; V55-W57 VanDerWaalsContact CG1-CH2 3.44Å; V55-W57 HydrophobicContact CG1-CZ2 3.29Å; V55-W57 HydrophobicContact CG1-CZ3 3.88Å; W57-Y59 PolarHBondContact O-N 3.39Å; W57-L62 HydrophobicContact CB-CD2 4.19Å; W57-F74 AromaticContact CD1-CE2 3.95Å; W57-F74 AromaticContact CD2-CE2 3.81Å; W57-F74 HydrophobicContact CD2-CE2 3.81Å; W57-F74 AromaticContact CD2-CZ 3.62Å; W57-F74 HydrophobicContact CD2-CZ 3.62Å; W57-F74 AromaticContact CE2-CE2 3.81Å; W57-F74 AromaticContact CE2-CZ 3.71Å; W57-F74 HydrophobicContact CE3-CE2 4.35Å; W57-F74 AromaticContact CE3-CZ 3.72Å; W57-F74 HydrophobicContact CE3-CZ 3.72Å; W57-F74 AromaticContact CG-CE2 3.89Å; W57-F74 HydrophobicContact CG-CE2 3.89Å; W57-F74 HydrophobicContact CG-CZ 4.16Å; W57-F74 HydrophobicContact CH2-CZ 4.01Å; W57-F74 HydrophobicContact CZ2-CE2 4.36Å; W57-F74 AromaticContact CZ2-CZ 3.91Å; W57-F74 HydrophobicContact CZ2-CZ 3.91Å; W57-F74 AromaticContact CZ3-CZ 3.91Å; W57-F74 HydrophobicContact CZ3-CZ 3.91Å; W57-F74 AromaticContact NE1-CE2 3.87Å; W57-T82 HydrophobicContact CZ2-CG2 4.27Å; W57-T82 PolarHBondContact NE1-OG1 3.47Å; W57-F87 HydrophobicContact CZ2-CD1 4.13Å; W57-F87 HydrophobicContact CZ2-CD2 4.2Å; W57-F87 HydrophobicContact CZ2-CE1 4.19Å; W57-F87 HydrophobicContact CZ2-CE2 4.26Å; W57-F87 HydrophobicContact CZ2-CG 4.14Å; W57-F87 HydrophobicContact CZ2-CZ 4.26Å; W57-F87 AromaticContact NE1-CE2 3.64Å; W57-F89 HydrophobicContact CH2-CZ 4.15Å |
| 58 | P | 93.3 | Very high | 90.3 | Very high | 48 Ų | 48 | 71.7 Ų | 71.7 | 31% | 0.312 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 137.9 | 170.1 | -22.7 | 33.3 | 0 | 0 | 0 | 110.1 | L60 C61 | P58-L60 PolarHBondContact O-N 2.78Å; P58-L60 VanDerWaalsContact O-N 3.13Å; P58-C61 WeakPolarHBondContact O-CB 3.46Å; P58-C61 PolarHBondContact O-N 2.98Å |
| 59 | Y | 91.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -58.2 | -32.5 | -177 | -63.3 | -53.4 | 0 | 0 | 0 | 113.1 | T41 E42 S43 E44 L45 W57 C61 L62 L101 V104 | T41-Y59 PolarHBondContact N-OH 2.99Å; T41-Y59 VanDerWaalsContact O-CE2 3.3Å; T41-Y59 WeakPolarHBondContact O-CE2 3.47Å; T41-Y59 PolarHBondContact O-OH 2.75Å; E42-Y59 WeakPolarHBondContact O-CE2 3.47Å; S43-Y59 WeakPolarHBondContact O-CD2 3.48Å; E44-Y59 PolarHBondContact O-OH 3.12Å; L45-Y59 HydrophobicContact CB-CE1 3.95Å; W57-Y59 PolarHBondContact O-N 3.39Å; Y59-C61 PolarHBondContact O-N 2.97Å; Y59-L62 HydrophobicContact CD1-CD1 4.09Å; Y59-L62 WeakPolarHBondContact O-CB 3.45Å; Y59-L62 PolarHBondContact O-N 2.98Å; Y59-L62 VanDerWaalsContact O-N 3.15Å; Y59-L101 HydrophobicContact CD1-CD1 3.49Å; Y59-L101 VanDerWaalsContact CD1-CD1 3.49Å; Y59-L101 HydrophobicContact CE1-CD1 3.29Å; Y59-V104 HydrophobicContact CD2-CG1 3.73Å; Y59-V104 HydrophobicContact CE2-CG1 3.26Å |
| 60 | L | 90 | Very high | 90.2 | Very high | 137 Ų | 137 | 76 Ų | 76 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -62.5 | -19.5 | 174.5 | -66.3 | 170.9 | 0 | 0 | 0 | 114.2 | P58 I110 | P58-L60 PolarHBondContact O-N 2.78Å; P58-L60 VanDerWaalsContact O-N 3.13Å; L60-I110 HydrophobicContact CD2-CD1 3.93Å; L60-I110 HydrophobicContact CD2-CG1 3.83Å; L60-I110 HydrophobicContact CD2-CG2 3.99Å; L60-I110 HydrophobicContact CG-CD1 4.11Å |
| 61 | C | 91 | Very high | 90.9 | Very high | 26 Ų | 26 | 70.6 Ų | 70.6 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -96.8 | -3.9 | 179.9 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | P58 Y59 G77 C80 | P58-C61 WeakPolarHBondContact O-CB 3.46Å; P58-C61 PolarHBondContact O-N 2.98Å; Y59-C61 PolarHBondContact O-N 2.97Å; C61-G77 PolarHBondContact O-N 2.87Å; C61-C80 WeakPolarHBondContact CB-SG 3.47Å |
| 62 | L | 92.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 141 | 169.6 | -57.4 | -176.7 | 0 | 0 | 0 | 108.9 | W57 Y59 F74 E75 L101 V112 | W57-L62 HydrophobicContact CB-CD2 4.19Å; Y59-L62 HydrophobicContact CD1-CD1 4.09Å; Y59-L62 WeakPolarHBondContact O-CB 3.45Å; Y59-L62 PolarHBondContact O-N 2.98Å; Y59-L62 VanDerWaalsContact O-N 3.15Å; L62-F74 HydrophobicContact CD2-CB 4.46Å; L62-F74 HydrophobicContact CD2-CD2 3.38Å; L62-F74 HydrophobicContact CD2-CE2 3.81Å; L62-F74 HydrophobicContact CD2-CG 4.11Å; L62-E75 WeakPolarHBondContact CA-O 3.44Å; L62-L101 HydrophobicContact CD1-CD1 4.29Å; L62-L101 HydrophobicContact CD1-CD2 4.32Å; L62-V112 HydrophobicContact CB-CG1 4.3Å; L62-V112 VanDerWaalsContact O-CG1 3.22Å; L62-V112 WeakPolarHBondContact O-CG1 3.19Å |
| 63 | R | 91.5 | Very high | 92.6 | Very high | 97 Ų | 97 | 50.7 Ų | 50.7 | 37% | 0.366 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -38.6 | 177.8 | -69.6 | 174.6 | 171.3 | 170.6 | -4.1 | 112.1 | E75 Q84 | R63-E75 HydrophobicContact CB-CB 4.33Å; R63-E75 HydrophobicContact CB-CG 4.48Å; R63-E75 VanDerWaalsContact CD-OE1 3.26Å; R63-E75 WeakPolarHBondContact CD-OE1 3.39Å; R63-E75 IonicContact CZ-OE1 2.68Å; R63-E75 PolarHBondContact N-O 3Å; R63-E75 IonicContact NE-OE1 3.38Å; R63-E75 IonicContact NH1-OE1 3.86Å; R63-E75 PolarHBondContact NH1-OE1 3Å; R63-Q84 VanDerWaalsContact NH1-CD 3.29Å |
| 64 | R | 92.3 | Very high | 92.9 | Very high | 80 Ų | 80 | 44 Ų | 44 | 30% | 0.302 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 152.5 | 175 | 55.4 | 175.1 | -177.4 | -94 | -8.7 | 108.8 | F74 E75 Y188 | R64-F74 CarbonylContact O-C 3.48Å; R64-F74 VanDerWaalsContact O-CA 3.28Å; R64-F74 WeakPolarHBondContact O-CA 3.34Å; R64-F74 WeakPolarHBondContact O-CB 3.36Å; R64-E75 HydrophobicContact CG-CB 3.64Å; R64-E75 IonicContact CZ-OE2 3.66Å; R64-E75 IonicContact NE-OE2 3.51Å; R64-E75 IonicContact NH1-OE2 2.76Å; R64-E75 PolarHBondContact NH1-OE2 2.92Å; R64-E75 IonicContact NH2-OE2 2.91Å; R64-E75 PolarHBondContact NH2-OE2 3.5Å; R64-E75 VanDerWaalsContact NH2-OE2 3.12Å; R64-E75 PolarHBondContact O-N 3.45Å; R64-Y188 HydrophobicContact CG-CD1 4.26Å |
| 65 | Y | 94 | Very high | 93.1 | Very high | 6 Ų | 6 | 42 Ų | 42 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.7 | 173.1 | 57.1 | -87 | 0 | 0 | 0 | 108.7 | S73 F98 L101 Q102 M105 V112 V189 | Y65-S73 CarbonylContact C-O 3.41Å; Y65-S73 WeakPolarHBondContact CA-O 3.27Å; Y65-F98 AromaticContact CD2-CD2 3.59Å; Y65-F98 HydrophobicContact CD2-CD2 3.59Å; Y65-F98 AromaticContact CD2-CE2 3.44Å; Y65-F98 HydrophobicContact CD2-CE2 3.44Å; Y65-F98 VanDerWaalsContact CD2-CE2 3.44Å; Y65-F98 AromaticContact CE2-CD2 3.87Å; Y65-F98 HydrophobicContact CE2-CD2 3.87Å; Y65-F98 AromaticContact CE2-CE2 3.43Å; Y65-F98 HydrophobicContact CE2-CE2 3.43Å; Y65-F98 VanDerWaalsContact CE2-CE2 3.43Å; Y65-F98 HydrophobicContact CE2-CZ 4.13Å; Y65-L101 HydrophobicContact CD1-CD2 4.09Å; Y65-L101 HydrophobicContact CD2-CD2 3.73Å; Y65-L101 HydrophobicContact CD2-CG 4.36Å; Y65-L101 HydrophobicContact CE2-CD2 4.34Å; Y65-L101 HydrophobicContact CE2-CG 4.49Å; Y65-L101 HydrophobicContact CG-CD2 3.6Å; Y65-L101 HydrophobicContact CG-CG 4.45Å; Y65-Q102 HydrophobicContact CE2-CG 3.71Å; Y65-M105 HydrophobicContact CD1-SD 3.8Å; Y65-M105 HydrophobicContact CE1-CE 3.87Å; Y65-M105 HydrophobicContact CE1-SD 3.17Å; Y65-M105 WeakPolarHBondContact CE1-SD 3.45Å; Y65-V112 HydrophobicContact CD1-CG1 4.46Å; Y65-V112 HydrophobicContact CD1-CG2 4.27Å; Y65-V112 HydrophobicContact CE1-CG1 4.41Å; Y65-V112 HydrophobicContact CE1-CG2 3.56Å; Y65-V189 PolarHBondContact O-N 2.68Å |
| 66 | G | 93.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 164.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S73 T187 | G66-S73 PolarHBondContact N-O 3.14Å; G66-S73 PolarHBondContact O-N 3.24Å; G66-T187 VanDerWaalsContact CA-O 3.28Å; G66-T187 WeakPolarHBondContact CA-O 3.27Å |
| 67 | Y | 94.8 | Very high | 93.1 | Very high | 70 Ų | 70 | 35.1 Ų | 35.1 | 28% | 0.275 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.9 | 174.2 | 80.7 | -79.3 | 0 | 0 | 0 | 110 | L71 E95 F98 | Y67-L71 CarbonylContact C-O 3.57Å; Y67-L71 VanDerWaalsContact CA-O 3.23Å; Y67-L71 WeakPolarHBondContact CA-O 3.39Å; Y67-E95 HydrophobicContact CD2-CB 4.28Å; Y67-E95 HydrophobicContact CE2-CB 4.04Å; Y67-E95 HydrophobicContact CE2-CG 4.15Å; Y67-F98 HydrophobicContact CD1-CB 3.65Å; Y67-F98 AromaticContact CD1-CD1 3.5Å; Y67-F98 HydrophobicContact CD1-CD1 3.5Å; Y67-F98 VanDerWaalsContact CD1-CD1 3.5Å; Y67-F98 AromaticContact CD1-CD2 3.67Å; Y67-F98 HydrophobicContact CD1-CD2 3.67Å; Y67-F98 HydrophobicContact CD1-CE1 4.01Å; Y67-F98 HydrophobicContact CD1-CE2 4.19Å; Y67-F98 AromaticContact CD1-CG 3.3Å; Y67-F98 HydrophobicContact CD1-CG 3.3Å; Y67-F98 HydrophobicContact CD1-CZ 4.35Å; Y67-F98 HydrophobicContact CE1-CB 4.37Å; Y67-F98 AromaticContact CE1-CD1 3.5Å; Y67-F98 HydrophobicContact CE1-CD1 3.5Å; Y67-F98 VanDerWaalsContact CE1-CD1 3.5Å; Y67-F98 HydrophobicContact CE1-CD2 4.43Å; Y67-F98 AromaticContact CE1-CE1 3.8Å; Y67-F98 HydrophobicContact CE1-CE1 3.8Å; Y67-F98 AromaticContact CE1-CG 3.85Å; Y67-F98 HydrophobicContact CE1-CG 3.85Å; Y67-F98 HydrophobicContact CE1-CZ 4.42Å; Y67-F98 HydrophobicContact CG-CB 4.04Å; Y67-F98 HydrophobicContact CG-CG 4.17Å |
| 68 | D | 92.7 | Very high | 93 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 110.1 | 171.3 | 165.4 | 31 | 0 | 0 | 0 | 107.9 | N70 L71 A184 H186 | D68-N70 VanDerWaalsContact C-N 3.3Å; D68-N70 CarbonylContact O-C 3.53Å; D68-N70 PolarHBondContact O-N 2.79Å; D68-L71 HydrophobicContact CB-CB 4.49Å; D68-L71 PolarHBondContact N-O 2.93Å; D68-L71 WeakPolarHBondContact O-CA 3.24Å; D68-L71 WeakPolarHBondContact O-CB 3.25Å; D68-L71 PolarHBondContact O-N 3.37Å; D68-A184 WeakPolarHBondContact OD2-CB 3.44Å; D68-H186 WeakPolarHBondContact CB-ND1 3.45Å; D68-H186 IonicContact OD2-CE1 3.98Å; D68-H186 PolarHBondContact OD2-CE1 2.79Å; D68-H186 IonicContact OD2-ND1 2.8Å; D68-H186 PolarHBondContact OD2-ND1 3.42Å |
| 69 | S | 88.5 | Confident | 92.7 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 67% | 0.671 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.4 | -78.9 | 174.4 | -52.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 70 | N | 92.1 | Very high | 92.5 | Very high | 83 Ų | 83 | 53.2 Ų | 53.2 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 19.8 | 178.2 | 68.3 | -5.1 | 0 | 0 | 0 | 114.5 | D68 K90 C91 | D68-N70 VanDerWaalsContact C-N 3.3Å; D68-N70 CarbonylContact O-C 3.53Å; D68-N70 PolarHBondContact O-N 2.79Å; N70-K90 CarbonylContact O-C 3.59Å; N70-K90 VanDerWaalsContact O-CA 3.24Å; N70-K90 WeakPolarHBondContact O-CA 3.43Å; N70-C91 CarbonylContact C-O 3.43Å; N70-C91 WeakPolarHBondContact CA-O 3.47Å; N70-C91 CarbonylContact O-C 3.56Å; N70-C91 PolarHBondContact O-N 3.04Å; N70-C91 VanDerWaalsContact O-O 3.07Å |
| 71 | L | 94.2 | Very high | 92.3 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.7 | -176.8 | -169 | 76.6 | 0 | 0 | 0 | 109.2 | V26 Y67 D68 A88 F89 K90 H186 | V26-L71 HydrophobicContact CG2-CD1 3.88Å; Y67-L71 CarbonylContact C-O 3.57Å; Y67-L71 VanDerWaalsContact CA-O 3.23Å; Y67-L71 WeakPolarHBondContact CA-O 3.39Å; D68-L71 HydrophobicContact CB-CB 4.49Å; D68-L71 PolarHBondContact N-O 2.93Å; D68-L71 WeakPolarHBondContact O-CA 3.24Å; D68-L71 WeakPolarHBondContact O-CB 3.25Å; D68-L71 PolarHBondContact O-N 3.37Å; L71-A88 HydrophobicContact CD1-CB 4.33Å; L71-F89 CarbonylContact C-O 3.47Å; L71-F89 WeakPolarHBondContact CA-O 3.37Å; L71-K90 HydrophobicContact CD1-CB 4.41Å; L71-H186 WeakPolarHBondContact CD2-CE1 3.36Å |
| 72 | F | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.1 | 171.5 | 170.9 | -107.9 | 0 | 0 | 0 | 108.6 | L45 F74 A88 F89 A94 I97 L101 | L45-F72 HydrophobicContact CD2-CE1 4.28Å; F72-F74 HydrophobicContact CD1-CD1 4.35Å; F72-F74 AromaticContact CE1-CD1 3.52Å; F72-F74 HydrophobicContact CE1-CD1 3.52Å; F72-F74 AromaticContact CE1-CE1 3.96Å; F72-F74 HydrophobicContact CE1-CE1 3.96Å; F72-F74 AromaticContact CZ-CD1 3.93Å; F72-F74 HydrophobicContact CZ-CD1 3.93Å; F72-A88 CarbonylContact O-C 3.13Å; F72-F89 HydrophobicContact CD1-CD2 4.29Å; F72-F89 PolarHBondContact N-O 2.9Å; F72-F89 PolarHBondContact O-N 3.43Å; F72-A94 HydrophobicContact CB-CB 4.02Å; F72-I97 HydrophobicContact CB-CD1 4.48Å; F72-I97 HydrophobicContact CD1-CG2 3.8Å; F72-I97 HydrophobicContact CD2-CB 4.28Å; F72-I97 HydrophobicContact CD2-CG2 3.63Å; F72-I97 HydrophobicContact CE1-CG2 3.69Å; F72-I97 HydrophobicContact CE2-CG2 3.54Å; F72-I97 HydrophobicContact CG-CB 4.39Å; F72-I97 HydrophobicContact CG-CD1 4.5Å; F72-I97 HydrophobicContact CG-CG2 3.76Å; F72-I97 HydrophobicContact CZ-CG2 3.57Å; F72-L101 HydrophobicContact CE2-CD2 4.16Å; F72-L101 HydrophobicContact CZ-CD2 3.9Å |
| 73 | S | 94.9 | Very high | 92 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150 | -179.1 | 67.6 | 0 | 0 | 0 | 0 | 112.6 | Y65 G66 F87 | Y65-S73 CarbonylContact C-O 3.41Å; Y65-S73 WeakPolarHBondContact CA-O 3.27Å; G66-S73 PolarHBondContact N-O 3.14Å; G66-S73 PolarHBondContact O-N 3.24Å; S73-F87 CarbonylContact C-O 3.5Å; S73-F87 WeakPolarHBondContact CA-O 3.47Å; S73-F87 WeakPolarHBondContact CB-O 3.23Å |
| 74 | F | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 152.6 | 172.7 | 63.6 | -91.7 | 0 | 0 | 0 | 111.8 | M38 L45 W57 L62 R64 F72 I86 F87 F89 | M38-F74 HydrophobicContact CE-CE1 4.22Å; L45-F74 HydrophobicContact CD2-CD1 3.9Å; L45-F74 HydrophobicContact CD2-CE1 3.39Å; L45-F74 HydrophobicContact CD2-CE2 4.39Å; L45-F74 HydrophobicContact CD2-CZ 3.69Å; W57-F74 AromaticContact CD1-CE2 3.95Å; W57-F74 AromaticContact CD2-CE2 3.81Å; W57-F74 HydrophobicContact CD2-CE2 3.81Å; W57-F74 AromaticContact CD2-CZ 3.62Å; W57-F74 HydrophobicContact CD2-CZ 3.62Å; W57-F74 AromaticContact CE2-CE2 3.81Å; W57-F74 AromaticContact CE2-CZ 3.71Å; W57-F74 HydrophobicContact CE3-CE2 4.35Å; W57-F74 AromaticContact CE3-CZ 3.72Å; W57-F74 HydrophobicContact CE3-CZ 3.72Å; W57-F74 AromaticContact CG-CE2 3.89Å; W57-F74 HydrophobicContact CG-CE2 3.89Å; W57-F74 HydrophobicContact CG-CZ 4.16Å; W57-F74 HydrophobicContact CH2-CZ 4.01Å; W57-F74 HydrophobicContact CZ2-CE2 4.36Å; W57-F74 AromaticContact CZ2-CZ 3.91Å; W57-F74 HydrophobicContact CZ2-CZ 3.91Å; W57-F74 AromaticContact CZ3-CZ 3.91Å; W57-F74 HydrophobicContact CZ3-CZ 3.91Å; W57-F74 AromaticContact NE1-CE2 3.87Å; L62-F74 HydrophobicContact CD2-CB 4.46Å; L62-F74 HydrophobicContact CD2-CD2 3.38Å; L62-F74 HydrophobicContact CD2-CE2 3.81Å; L62-F74 HydrophobicContact CD2-CG 4.11Å; R64-F74 CarbonylContact O-C 3.48Å; R64-F74 VanDerWaalsContact O-CA 3.28Å; R64-F74 WeakPolarHBondContact O-CA 3.34Å; R64-F74 WeakPolarHBondContact O-CB 3.36Å; F72-F74 HydrophobicContact CD1-CD1 4.35Å; F72-F74 AromaticContact CE1-CD1 3.52Å; F72-F74 HydrophobicContact CE1-CD1 3.52Å; F72-F74 AromaticContact CE1-CE1 3.96Å; F72-F74 HydrophobicContact CE1-CE1 3.96Å; F72-F74 AromaticContact CZ-CD1 3.93Å; F72-F74 HydrophobicContact CZ-CD1 3.93Å; F74-I86 WeakPolarHBondContact O-CA 3.5Å; F74-F87 HydrophobicContact CD2-CD2 4.21Å; F74-F87 HydrophobicContact CE1-CB 4.16Å; F74-F87 HydrophobicContact CE2-CB 4.19Å; F74-F87 AromaticContact CE2-CD2 3.62Å; F74-F87 HydrophobicContact CE2-CD2 3.62Å; F74-F87 HydrophobicContact CE2-CE2 4.46Å; F74-F87 HydrophobicContact CE2-CG 4.22Å; F74-F87 HydrophobicContact CZ-CB 3.95Å; F74-F87 HydrophobicContact CZ-CD2 4.07Å; F74-F87 HydrophobicContact CZ-CG 4.23Å; F74-F87 PolarHBondContact N-O 2.84Å; F74-F87 PolarHBondContact O-N 3.07Å; F74-F89 HydrophobicContact CD1-CE2 4.36Å; F74-F89 HydrophobicContact CE1-CD2 4.04Å; F74-F89 AromaticContact CE1-CE2 3.49Å; F74-F89 HydrophobicContact CE1-CE2 3.49Å; F74-F89 VanDerWaalsContact CE1-CE2 3.49Å; F74-F89 HydrophobicContact CZ-CE2 4.02Å |
| 75 | E | 95.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 53 Ų | 53 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.4 | 168.8 | -169.8 | -163.4 | 165.8 | 0 | 0 | 109.7 | L62 R63 R64 G85 I86 | L62-E75 WeakPolarHBondContact CA-O 3.44Å; R63-E75 HydrophobicContact CB-CB 4.33Å; R63-E75 HydrophobicContact CB-CG 4.48Å; R63-E75 VanDerWaalsContact CD-OE1 3.26Å; R63-E75 WeakPolarHBondContact CD-OE1 3.39Å; R63-E75 IonicContact CZ-OE1 2.68Å; R63-E75 PolarHBondContact N-O 3Å; R63-E75 IonicContact NE-OE1 3.38Å; R63-E75 IonicContact NH1-OE1 3.86Å; R63-E75 PolarHBondContact NH1-OE1 3Å; R64-E75 HydrophobicContact CG-CB 3.64Å; R64-E75 IonicContact CZ-OE2 3.66Å; R64-E75 IonicContact NE-OE2 3.51Å; R64-E75 IonicContact NH1-OE2 2.76Å; R64-E75 PolarHBondContact NH1-OE2 2.92Å; R64-E75 IonicContact NH2-OE2 2.91Å; R64-E75 PolarHBondContact NH2-OE2 3.5Å; R64-E75 VanDerWaalsContact NH2-OE2 3.12Å; R64-E75 PolarHBondContact O-N 3.45Å; E75-G85 WeakPolarHBondContact CA-O 3.45Å; E75-I86 HydrophobicContact CB-CG1 4.22Å; E75-I86 HydrophobicContact CG-CG1 4.03Å |
| 76 | S | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 144.8 | 174.5 | 114.6 | 0 | 0 | 0 | 0 | 111 | C80 G83 Q84 G85 | S76-C80 VanDerWaalsContact CB-SG 3.56Å; S76-C80 WeakPolarHBondContact OG-CB 3.08Å; S76-C80 PolarHBondContact OG-SG 3Å; S76-G83 PolarHBondContact OG-O 3.2Å; S76-Q84 WeakPolarHBondContact O-CA 3.22Å; S76-G85 PolarHBondContact N-O 3.47Å; S76-G85 PolarHBondContact O-N 2.79Å |
| 77 | G | 91.7 | Very high | 92.1 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 171.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C61 R79 C80 G83 | C61-G77 PolarHBondContact O-N 2.87Å; G77-R79 PolarHBondContact O-N 3.23Å; G77-C80 WeakPolarHBondContact O-CB 3.32Å; G77-C80 PolarHBondContact O-N 2.85Å; G77-C80 VanDerWaalsContact O-N 3.14Å; G77-C80 PolarHBondContact O-SG 3.19Å; G77-G83 CarbonylContact O-C 3.55Å |
| 78 | R | 91.6 | Very high | 92.2 | Very high | 191 Ų | 191 | 56.3 Ų | 56.3 | 72% | 0.721 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.3 | -180 | -65.2 | -178.8 | -175.1 | -179.1 | 1.9 | 115 | Q84 | R78-Q84 HydrophobicContact CB-CB 4.49Å; R78-Q84 HydrophobicContact CG-CB 3.65Å; R78-Q84 HydrophobicContact CG-CG 4.45Å |
| 79 | R | 87.6 | Confident | 92.3 | Very high | 230 Ų | 230 | 55.2 Ų | 55.2 | 87% | 0.868 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -11.4 | -178.1 | -59.2 | -178.3 | -168.4 | -115.8 | 5.1 | 112.8 | G77 | G77-R79 PolarHBondContact O-N 3.23Š|
| 80 | C | 88.8 | Confident | 92.6 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -69.4 | 155 | 175.9 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | C61 S76 G77 T82 G83 | C61-C80 WeakPolarHBondContact CB-SG 3.47Å; S76-C80 VanDerWaalsContact CB-SG 3.56Å; S76-C80 WeakPolarHBondContact OG-CB 3.08Å; S76-C80 PolarHBondContact OG-SG 3Å; G77-C80 WeakPolarHBondContact O-CB 3.32Å; G77-C80 PolarHBondContact O-N 2.85Å; G77-C80 VanDerWaalsContact O-N 3.14Å; G77-C80 PolarHBondContact O-SG 3.19Å; C80-T82 PolarHBondContact O-N 3.13Å; C80-G83 PolarHBondContact O-N 3.21Å |
| 81 | Q | 84.6 | Confident | 92.7 | Very high | 148 Ų | 148 | 50.8 Ų | 50.8 | 69% | 0.692 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34.8 | 174.5 | -174.5 | -176.8 | 22.6 | 0 | 0 | 112.5 | G83 | Q81-G83 VanDerWaalsContact C-N 3.32Š|
| 82 | T | 88.1 | Confident | 92.6 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 36% | 0.362 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -7.4 | 176.6 | 43.1 | 0 | 0 | 0 | 0 | 114.1 | V55 W57 C80 F87 | V55-T82 HydrophobicContact CG1-CG2 3.35Å; V55-T82 HydrophobicContact CG2-CG2 4.46Å; W57-T82 HydrophobicContact CZ2-CG2 4.27Å; W57-T82 PolarHBondContact NE1-OG1 3.47Å; C80-T82 PolarHBondContact O-N 3.13Å; T82-F87 HydrophobicContact CG2-CZ 4.31Å |
| 83 | G | 90.1 | Very high | 92.4 | Very high | 21 Ų | 21 | 55.8 Ų | 55.8 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | trans | 75.7 | -169.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | S76 G77 C80 Q81 G85 | S76-G83 PolarHBondContact OG-O 3.2Å; G77-G83 CarbonylContact O-C 3.55Å; C80-G83 PolarHBondContact O-N 3.21Å; Q81-G83 VanDerWaalsContact C-N 3.32Å; G83-G85 PolarHBondContact O-N 3.25Å | ||
| 84 | Q | 93 | Very high | 92.3 | Very high | 95 Ų | 95 | 55.6 Ų | 55.6 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -72.4 | 128.9 | 179.6 | 175.7 | 176.2 | -1.2 | 0 | 0 | 110.6 | R63 S76 R78 | R63-Q84 VanDerWaalsContact NH1-CD 3.29Å; S76-Q84 WeakPolarHBondContact O-CA 3.22Å; R78-Q84 HydrophobicContact CB-CB 4.49Å; R78-Q84 HydrophobicContact CG-CB 3.65Å; R78-Q84 HydrophobicContact CG-CG 4.45Å |
| 85 | G | 92.7 | Very high | 92.2 | Very high | 23 Ų | 23 | 60.7 Ų | 60.7 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | 160.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E75 S76 G83 | E75-G85 WeakPolarHBondContact CA-O 3.45Å; S76-G85 PolarHBondContact N-O 3.47Å; S76-G85 PolarHBondContact O-N 2.79Å; G83-G85 PolarHBondContact O-N 3.25Å |
| 86 | I | 94.1 | Very high | 92 | Very high | 85 Ų | 85 | 64.1 Ų | 64.1 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.5 | 169.3 | -58.4 | 173.7 | 0 | 0 | 0 | 106.8 | F74 E75 | F74-I86 WeakPolarHBondContact O-CA 3.5Å; E75-I86 HydrophobicContact CB-CG1 4.22Å; E75-I86 HydrophobicContact CG-CG1 4.03Å |
| 87 | F | 94.3 | Very high | 91.9 | Very high | 39 Ų | 39 | 64.1 Ų | 64.1 | 17% | 0.171 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.5 | 176.7 | -58.4 | -84.9 | 0 | 0 | 0 | 108.5 | W57 S73 F74 T82 F89 | W57-F87 HydrophobicContact CZ2-CD1 4.13Å; W57-F87 HydrophobicContact CZ2-CD2 4.2Å; W57-F87 HydrophobicContact CZ2-CE1 4.19Å; W57-F87 HydrophobicContact CZ2-CE2 4.26Å; W57-F87 HydrophobicContact CZ2-CG 4.14Å; W57-F87 HydrophobicContact CZ2-CZ 4.26Å; W57-F87 AromaticContact NE1-CE2 3.64Å; S73-F87 CarbonylContact C-O 3.5Å; S73-F87 WeakPolarHBondContact CA-O 3.47Å; S73-F87 WeakPolarHBondContact CB-O 3.23Å; F74-F87 HydrophobicContact CD2-CD2 4.21Å; F74-F87 HydrophobicContact CE1-CB 4.16Å; F74-F87 HydrophobicContact CE2-CB 4.19Å; F74-F87 AromaticContact CE2-CD2 3.62Å; F74-F87 HydrophobicContact CE2-CD2 3.62Å; F74-F87 HydrophobicContact CE2-CE2 4.46Å; F74-F87 HydrophobicContact CE2-CG 4.22Å; F74-F87 HydrophobicContact CZ-CB 3.95Å; F74-F87 HydrophobicContact CZ-CD2 4.07Å; F74-F87 HydrophobicContact CZ-CG 4.23Å; F74-F87 PolarHBondContact N-O 2.84Å; F74-F87 PolarHBondContact O-N 3.07Å; T82-F87 HydrophobicContact CG2-CZ 4.31Å; F87-F89 HydrophobicContact CB-CD2 4.39Å; F87-F89 HydrophobicContact CB-CE2 3.51Å; F87-F89 HydrophobicContact CB-CZ 3.99Å |
| 88 | A | 95.5 | Very high | 92 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V26 L71 F72 | V26-A88 HydrophobicContact CG2-CB 3.61Å; V26-A88 WeakPolarHBondContact CG2-O 3.45Å; V26-A88 PolarHBondContact N-O 2.86Å; V26-A88 VanDerWaalsContact N-O 3.07Å; L71-A88 HydrophobicContact CD1-CB 4.33Å; F72-A88 CarbonylContact O-C 3.13Å |
| 89 | F | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 115.9 | -169.4 | -68.1 | -74.4 | 0 | 0 | 0 | 110.1 | V23 I24 N25 M38 L47 W57 L71 F72 F74 F87 C91 | V23-F89 HydrophobicContact CB-CB 4.05Å; V23-F89 HydrophobicContact CB-CD1 4.19Å; V23-F89 HydrophobicContact CB-CG 4.41Å; V23-F89 HydrophobicContact CG1-CB 4.39Å; V23-F89 HydrophobicContact CG2-CD1 3.87Å; V23-F89 HydrophobicContact CG2-CE1 4.49Å; V23-F89 HydrophobicContact CG2-CG 4.43Å; I24-F89 CarbonylContact O-C 3.59Å; I24-F89 VanDerWaalsContact O-CA 3.27Å; I24-F89 WeakPolarHBondContact O-CA 3.46Å; N25-F89 HydrophobicContact CB-CD1 4.15Å; N25-F89 HydrophobicContact CB-CE1 3.9Å; M38-F89 HydrophobicContact CE-CD1 4.27Å; M38-F89 HydrophobicContact CE-CD2 3.72Å; M38-F89 HydrophobicContact CE-CE1 4.12Å; M38-F89 HydrophobicContact CE-CE2 3.54Å; M38-F89 HydrophobicContact CE-CG 4.08Å; M38-F89 HydrophobicContact CE-CZ 3.75Å; L47-F89 HydrophobicContact CD1-CE1 4.05Å; L47-F89 HydrophobicContact CD2-CE1 3.69Å; L47-F89 HydrophobicContact CD2-CZ 3.91Å; L47-F89 HydrophobicContact CG-CE1 4.49Å; W57-F89 HydrophobicContact CH2-CZ 4.15Å; L71-F89 CarbonylContact C-O 3.47Å; L71-F89 WeakPolarHBondContact CA-O 3.37Å; F72-F89 HydrophobicContact CD1-CD2 4.29Å; F72-F89 PolarHBondContact N-O 2.9Å; F72-F89 PolarHBondContact O-N 3.43Å; F74-F89 HydrophobicContact CD1-CE2 4.36Å; F74-F89 HydrophobicContact CE1-CD2 4.04Å; F74-F89 AromaticContact CE1-CE2 3.49Å; F74-F89 HydrophobicContact CE1-CE2 3.49Å; F74-F89 VanDerWaalsContact CE1-CE2 3.49Å; F74-F89 HydrophobicContact CZ-CE2 4.02Å; F87-F89 HydrophobicContact CB-CD2 4.39Å; F87-F89 HydrophobicContact CB-CE2 3.51Å; F87-F89 HydrophobicContact CB-CZ 3.99Å; F89-C91 PolarHBondContact O-N 2.78Å |
| 90 | K | 94.5 | Very high | 92.2 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 35% | 0.348 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 122.7 | 172.8 | -174.4 | 177.9 | 173.6 | -173.7 | 0 | 109.5 | V23 I24 V26 E32 N70 L71 | V23-K90 CarbonylContact C-O 3.6Å; V23-K90 WeakPolarHBondContact CA-O 3.34Å; I24-K90 HydrophobicContact CB-CB 4.27Å; I24-K90 PolarHBondContact N-O 2.65Å; I24-K90 PolarHBondContact O-N 3.31Å; V26-K90 HydrophobicContact CG1-CB 4.11Å; E32-K90 IonicContact OE1-NZ 3.57Å; E32-K90 PolarHBondContact OE1-NZ 2.81Å; N70-K90 CarbonylContact O-C 3.59Å; N70-K90 VanDerWaalsContact O-CA 3.24Å; N70-K90 WeakPolarHBondContact O-CA 3.43Å; L71-K90 HydrophobicContact CD1-CB 4.41Å |
| 91 | C | 93.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | trans | -152.5 | 131.2 | -176.4 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | K22 V23 N70 F89 R93 A94 I97 | K22-C91 PolarHBondContact O-SG 3.48Å; V23-C91 HydrophobicContact CG1-CB 3.94Å; N70-C91 CarbonylContact C-O 3.43Å; N70-C91 WeakPolarHBondContact CA-O 3.47Å; N70-C91 CarbonylContact O-C 3.56Å; N70-C91 PolarHBondContact O-N 3.04Å; N70-C91 VanDerWaalsContact O-O 3.07Å; F89-C91 PolarHBondContact O-N 2.78Å; C91-R93 PolarHBondContact O-N 3.38Å; C91-R93 PolarHBondContact SG-N 2.85Å; C91-R93 VanDerWaalsContact SG-N 3.42Å; C91-A94 HydrophobicContact CB-CB 4.36Å; C91-A94 WeakPolarHBondContact O-CB 3.47Å; C91-A94 PolarHBondContact O-N 3.35Å; C91-I97 HydrophobicContact CB-CD1 4.29Å | ||
| 92 | S | 92.2 | Very high | 92.7 | Very high | 107 Ų | 107 | 44.9 Ų | 44.9 | 75% | 0.748 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24.8 | 173.9 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 93 | R | 91.1 | Very high | 92.8 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 11% | 0.109 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 30.8 | -178.9 | -62.7 | 174.8 | 64.5 | -152 | -6.8 | 111.4 | D15 H17 F21 C91 E95 E96 I97 | D15-R93 PolarHBondContact O-NH1 3.46Å; H17-R93 PolarHBondContact O-NH1 2.73Å; H17-R93 PolarHBondContact O-NH2 2.72Å; F21-R93 HydrophobicContact CD1-CB 3.69Å; F21-R93 HydrophobicContact CE1-CB 4.1Å; C91-R93 PolarHBondContact O-N 3.38Å; C91-R93 PolarHBondContact SG-N 2.85Å; C91-R93 VanDerWaalsContact SG-N 3.42Å; R93-E95 VanDerWaalsContact C-N 3.26Å; R93-E95 PolarHBondContact O-N 3.42Å; R93-E96 HydrophobicContact CB-CB 4.36Å; R93-E96 HydrophobicContact CB-CG 4.43Å; R93-E96 VanDerWaalsContact CG-OE1 3.27Å; R93-E96 WeakPolarHBondContact CG-OE1 3.17Å; R93-E96 IonicContact CZ-OE1 3.66Å; R93-E96 IonicContact CZ-OE2 2.85Å; R93-E96 VanDerWaalsContact CZ-OE2 3.27Å; R93-E96 VanDerWaalsContact NE-CD 3.26Å; R93-E96 IonicContact NE-OE1 3.27Å; R93-E96 PolarHBondContact NE-OE1 2.91Å; R93-E96 IonicContact NE-OE2 2.74Å; R93-E96 PolarHBondContact NE-OE2 3.24Å; R93-E96 IonicContact NH2-OE1 3.62Å; R93-E96 IonicContact NH2-OE2 3.03Å; R93-E96 PolarHBondContact NH2-OE2 3.27Å; R93-E96 PolarHBondContact O-N 2.78Å; R93-E96 VanDerWaalsContact O-N 3.14Å; R93-I97 PolarHBondContact O-N 2.86Å |
| 94 | A | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -37.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F72 C91 I97 F98 | F72-A94 HydrophobicContact CB-CB 4.02Å; C91-A94 HydrophobicContact CB-CB 4.36Å; C91-A94 WeakPolarHBondContact O-CB 3.47Å; C91-A94 PolarHBondContact O-N 3.35Å; A94-I97 PolarHBondContact O-N 3.04Å; A94-F98 PolarHBondContact O-N 2.8Å; A94-F98 VanDerWaalsContact O-N 3.07Å |
| 95 | E | 93 | Very high | 92.5 | Very high | 108 Ų | 108 | 43.4 Ų | 43.4 | 51% | 0.505 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.7 | -42 | 175 | -175.2 | -174.3 | 169.2 | 0 | 0 | 112.2 | Y67 R93 F98 N99 | Y67-E95 HydrophobicContact CD2-CB 4.28Å; Y67-E95 HydrophobicContact CE2-CB 4.04Å; Y67-E95 HydrophobicContact CE2-CG 4.15Å; R93-E95 VanDerWaalsContact C-N 3.26Å; R93-E95 PolarHBondContact O-N 3.42Å; E95-F98 WeakPolarHBondContact O-CB 3.38Å; E95-F98 PolarHBondContact O-N 3.18Å; E95-N99 PolarHBondContact O-N 2.74Å; E95-N99 PolarHBondContact O-ND2 2.9Å |
| 96 | E | 92.4 | Very high | 92.1 | Very high | 90 Ų | 90 | 49.5 Ų | 49.5 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 179.3 | -64.8 | -179.5 | -123.8 | 0 | 0 | 111.9 | F21 R93 F98 N99 M100 | F21-E96 HydrophobicContact CE1-CB 3.68Å; F21-E96 HydrophobicContact CZ-CB 4.15Å; R93-E96 HydrophobicContact CB-CB 4.36Å; R93-E96 HydrophobicContact CB-CG 4.43Å; R93-E96 VanDerWaalsContact CG-OE1 3.27Å; R93-E96 WeakPolarHBondContact CG-OE1 3.17Å; R93-E96 IonicContact CZ-OE1 3.66Å; R93-E96 IonicContact CZ-OE2 2.85Å; R93-E96 VanDerWaalsContact CZ-OE2 3.27Å; R93-E96 VanDerWaalsContact NE-CD 3.26Å; R93-E96 IonicContact NE-OE1 3.27Å; R93-E96 PolarHBondContact NE-OE1 2.91Å; R93-E96 IonicContact NE-OE2 2.74Å; R93-E96 PolarHBondContact NE-OE2 3.24Å; R93-E96 IonicContact NH2-OE1 3.62Å; R93-E96 IonicContact NH2-OE2 3.03Å; R93-E96 PolarHBondContact NH2-OE2 3.27Å; R93-E96 PolarHBondContact O-N 2.78Å; R93-E96 VanDerWaalsContact O-N 3.14Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 3.42Å; E96-N99 PolarHBondContact O-N 3.43Å; E96-M100 WeakPolarHBondContact O-CB 3.17Å; E96-M100 PolarHBondContact O-N 3.14Å |
| 97 | I | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 173 | -66.5 | 170.9 | 0 | 0 | 0 | 109.8 | F21 V23 L40 F72 C91 R93 A94 L101 | F21-I97 HydrophobicContact CB-CD1 3.71Å; F21-I97 HydrophobicContact CB-CG1 3.97Å; F21-I97 HydrophobicContact CD1-CD1 4.3Å; F21-I97 HydrophobicContact CD1-CG1 3.74Å; F21-I97 HydrophobicContact CD2-CD1 4.1Å; F21-I97 HydrophobicContact CD2-CG1 3.45Å; F21-I97 VanDerWaalsContact CD2-CG1 3.45Å; F21-I97 HydrophobicContact CE1-CG1 4.03Å; F21-I97 HydrophobicContact CE2-CG1 3.79Å; F21-I97 HydrophobicContact CG-CD1 3.78Å; F21-I97 HydrophobicContact CG-CG1 3.43Å; F21-I97 VanDerWaalsContact CG-CG1 3.43Å; F21-I97 HydrophobicContact CZ-CG1 4.06Å; V23-I97 HydrophobicContact CG1-CD1 4.09Å; L40-I97 HydrophobicContact CD1-CG2 4.18Å; L40-I97 HydrophobicContact CD2-CG2 4.43Å; F72-I97 HydrophobicContact CB-CD1 4.48Å; F72-I97 HydrophobicContact CD1-CG2 3.8Å; F72-I97 HydrophobicContact CD2-CB 4.28Å; F72-I97 HydrophobicContact CD2-CG2 3.63Å; F72-I97 HydrophobicContact CE1-CG2 3.69Å; F72-I97 HydrophobicContact CE2-CG2 3.54Å; F72-I97 HydrophobicContact CG-CB 4.39Å; F72-I97 HydrophobicContact CG-CD1 4.5Å; F72-I97 HydrophobicContact CG-CG2 3.76Å; F72-I97 HydrophobicContact CZ-CG2 3.57Å; C91-I97 HydrophobicContact CB-CD1 4.29Å; R93-I97 PolarHBondContact O-N 2.86Å; A94-I97 PolarHBondContact O-N 3.04Å; I97-L101 VanDerWaalsContact O-CB 3.24Å; I97-L101 WeakPolarHBondContact O-CB 3.24Å; I97-L101 PolarHBondContact O-N 3.35Å |
| 98 | F | 92.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -49.5 | -178.9 | 176.2 | -96.7 | 0 | 0 | 0 | 112.3 | Y65 Y67 A94 E95 E96 M100 L101 Q102 V189 | Y65-F98 AromaticContact CD2-CD2 3.59Å; Y65-F98 HydrophobicContact CD2-CD2 3.59Å; Y65-F98 AromaticContact CD2-CE2 3.44Å; Y65-F98 HydrophobicContact CD2-CE2 3.44Å; Y65-F98 VanDerWaalsContact CD2-CE2 3.44Å; Y65-F98 AromaticContact CE2-CD2 3.87Å; Y65-F98 HydrophobicContact CE2-CD2 3.87Å; Y65-F98 AromaticContact CE2-CE2 3.43Å; Y65-F98 HydrophobicContact CE2-CE2 3.43Å; Y65-F98 VanDerWaalsContact CE2-CE2 3.43Å; Y65-F98 HydrophobicContact CE2-CZ 4.13Å; Y67-F98 HydrophobicContact CD1-CB 3.65Å; Y67-F98 AromaticContact CD1-CD1 3.5Å; Y67-F98 HydrophobicContact CD1-CD1 3.5Å; Y67-F98 VanDerWaalsContact CD1-CD1 3.5Å; Y67-F98 AromaticContact CD1-CD2 3.67Å; Y67-F98 HydrophobicContact CD1-CD2 3.67Å; Y67-F98 HydrophobicContact CD1-CE1 4.01Å; Y67-F98 HydrophobicContact CD1-CE2 4.19Å; Y67-F98 AromaticContact CD1-CG 3.3Å; Y67-F98 HydrophobicContact CD1-CG 3.3Å; Y67-F98 HydrophobicContact CD1-CZ 4.35Å; Y67-F98 HydrophobicContact CE1-CB 4.37Å; Y67-F98 AromaticContact CE1-CD1 3.5Å; Y67-F98 HydrophobicContact CE1-CD1 3.5Å; Y67-F98 VanDerWaalsContact CE1-CD1 3.5Å; Y67-F98 HydrophobicContact CE1-CD2 4.43Å; Y67-F98 AromaticContact CE1-CE1 3.8Å; Y67-F98 HydrophobicContact CE1-CE1 3.8Å; Y67-F98 AromaticContact CE1-CG 3.85Å; Y67-F98 HydrophobicContact CE1-CG 3.85Å; Y67-F98 HydrophobicContact CE1-CZ 4.42Å; Y67-F98 HydrophobicContact CG-CB 4.04Å; Y67-F98 HydrophobicContact CG-CG 4.17Å; A94-F98 PolarHBondContact O-N 2.8Å; A94-F98 VanDerWaalsContact O-N 3.07Å; E95-F98 WeakPolarHBondContact O-CB 3.38Å; E95-F98 PolarHBondContact O-N 3.18Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 3.42Å; F98-M100 VanDerWaalsContact C-N 3.34Å; F98-M100 PolarHBondContact O-N 3.19Å; F98-L101 PolarHBondContact O-N 3.06Å; F98-Q102 HydrophobicContact CD1-CG 4.38Å; F98-Q102 HydrophobicContact CE1-CG 3.98Å; F98-Q102 HydrophobicContact CE2-CG 4.39Å; F98-Q102 VanDerWaalsContact CZ-CD 3.45Å; F98-Q102 HydrophobicContact CZ-CG 3.95Å; F98-Q102 WeakPolarHBondContact O-CG 3.48Å; F98-Q102 PolarHBondContact O-N 3.09Å; F98-V189 HydrophobicContact CE2-CB 4.41Å; F98-V189 HydrophobicContact CE2-CG2 4.17Å; F98-V189 HydrophobicContact CZ-CB 4.13Å; F98-V189 HydrophobicContact CZ-CG2 3.64Å |
| 99 | N | 92.9 | Very high | 90.1 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 40% | 0.401 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | -179.8 | -73.1 | -28.3 | 0 | 0 | 0 | 111.8 | E95 E96 Q102 E103 | E95-N99 PolarHBondContact O-N 2.74Å; E95-N99 PolarHBondContact O-ND2 2.9Å; E96-N99 PolarHBondContact O-N 3.43Å; N99-Q102 WeakPolarHBondContact O-CB 3.23Å; N99-Q102 PolarHBondContact O-N 3.17Å; N99-E103 PolarHBondContact O-N 3.33Å |
| 100 | M | 91.3 | Very high | 89.3 | Confident | 36 Ų | 36 | 59 Ų | 59 | 18% | 0.177 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 178 | -175.7 | 159.1 | 55.5 | 0 | 0 | 112 | Q18 F21 L40 E96 F98 Q102 E103 V104 | Q18-M100 VanDerWaalsContact O-CE 3.26Å; Q18-M100 WeakPolarHBondContact O-CE 3.37Å; F21-M100 HydrophobicContact CE2-CE 3.25Å; F21-M100 HydrophobicContact CZ-CE 3.44Å; F21-M100 VanDerWaalsContact CZ-CE 3.44Å; L40-M100 HydrophobicContact CB-CE 3.99Å; L40-M100 HydrophobicContact CD1-CE 4.1Å; L40-M100 HydrophobicContact CD2-CB 3.97Å; L40-M100 HydrophobicContact CD2-CE 3.76Å; L40-M100 HydrophobicContact CD2-CG 3.93Å; L40-M100 HydrophobicContact CG-CE 4.15Å; E96-M100 WeakPolarHBondContact O-CB 3.17Å; E96-M100 PolarHBondContact O-N 3.14Å; F98-M100 VanDerWaalsContact C-N 3.34Å; F98-M100 PolarHBondContact O-N 3.19Å; M100-Q102 VanDerWaalsContact C-N 3.31Å; M100-Q102 PolarHBondContact O-N 3.31Å; M100-E103 PolarHBondContact O-N 3.42Å; M100-V104 HydrophobicContact CG-CG2 4.36Å; M100-V104 WeakPolarHBondContact O-CB 3.42Å; M100-V104 VanDerWaalsContact O-CG2 3.25Å; M100-V104 WeakPolarHBondContact O-CG2 3.12Å; M100-V104 PolarHBondContact O-N 3.49Å |
| 101 | L | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 173.7 | -176.1 | 62.3 | 0 | 0 | 0 | 111 | L40 Y59 L62 Y65 F72 I97 F98 V104 M105 | L40-L101 HydrophobicContact CD2-CB 4.03Å; Y59-L101 HydrophobicContact CD1-CD1 3.49Å; Y59-L101 VanDerWaalsContact CD1-CD1 3.49Å; Y59-L101 HydrophobicContact CE1-CD1 3.29Å; L62-L101 HydrophobicContact CD1-CD1 4.29Å; L62-L101 HydrophobicContact CD1-CD2 4.32Å; Y65-L101 HydrophobicContact CD1-CD2 4.09Å; Y65-L101 HydrophobicContact CD2-CD2 3.73Å; Y65-L101 HydrophobicContact CD2-CG 4.36Å; Y65-L101 HydrophobicContact CE2-CD2 4.34Å; Y65-L101 HydrophobicContact CE2-CG 4.49Å; Y65-L101 HydrophobicContact CG-CD2 3.6Å; Y65-L101 HydrophobicContact CG-CG 4.45Å; F72-L101 HydrophobicContact CE2-CD2 4.16Å; F72-L101 HydrophobicContact CZ-CD2 3.9Å; I97-L101 VanDerWaalsContact O-CB 3.24Å; I97-L101 WeakPolarHBondContact O-CB 3.24Å; I97-L101 PolarHBondContact O-N 3.35Å; F98-L101 PolarHBondContact O-N 3.06Å; L101-V104 PolarHBondContact O-N 2.89Å; L101-M105 HydrophobicContact CD1-CG 4.25Å; L101-M105 HydrophobicContact CD1-SD 4.17Å; L101-M105 HydrophobicContact CG-CG 4.46Å; L101-M105 HydrophobicContact CG-SD 4.05Å; L101-M105 WeakPolarHBondContact O-CB 3.41Å; L101-M105 WeakPolarHBondContact O-CG 3.46Å; L101-M105 PolarHBondContact O-N 3.18Å |
| 102 | Q | 90.7 | Very high | 86.7 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 174.2 | -72.9 | -173.3 | -63.4 | 0 | 0 | 112.2 | Y65 F98 N99 M100 M105 H106 | Y65-Q102 HydrophobicContact CE2-CG 3.71Å; F98-Q102 HydrophobicContact CD1-CG 4.38Å; F98-Q102 HydrophobicContact CE1-CG 3.98Å; F98-Q102 HydrophobicContact CE2-CG 4.39Å; F98-Q102 VanDerWaalsContact CZ-CD 3.45Å; F98-Q102 HydrophobicContact CZ-CG 3.95Å; F98-Q102 WeakPolarHBondContact O-CG 3.48Å; F98-Q102 PolarHBondContact O-N 3.09Å; N99-Q102 WeakPolarHBondContact O-CB 3.23Å; N99-Q102 PolarHBondContact O-N 3.17Å; M100-Q102 VanDerWaalsContact C-N 3.31Å; M100-Q102 PolarHBondContact O-N 3.31Å; Q102-M105 PolarHBondContact O-N 3.08Å; Q102-H106 WeakPolarHBondContact O-CB 3.41Å; Q102-H106 PolarHBondContact O-N 3.17Å |
| 103 | E | 90.1 | Very high | 85 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.4 | -47.7 | 178.3 | -176.6 | 178.6 | -178.2 | 0 | 0 | 111.4 | N99 M100 M105 H106 N107 | N99-E103 PolarHBondContact O-N 3.33Å; M100-E103 PolarHBondContact O-N 3.42Å; E103-M105 VanDerWaalsContact C-N 3.33Å; E103-M105 PolarHBondContact O-N 3.15Å; E103-H106 PolarHBondContact O-N 3.44Å; E103-N107 WeakPolarHBondContact O-CB 3.26Å; E103-N107 PolarHBondContact O-N 3.33Å; E103-N107 PolarHBondContact O-ND2 2.87Å |
| 104 | V | 88.8 | Confident | 83 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 12% | 0.121 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 111 | Y59 M100 L101 N107 H108 | Y59-V104 HydrophobicContact CD2-CG1 3.73Å; Y59-V104 HydrophobicContact CE2-CG1 3.26Å; M100-V104 HydrophobicContact CG-CG2 4.36Å; M100-V104 WeakPolarHBondContact O-CB 3.42Å; M100-V104 VanDerWaalsContact O-CG2 3.25Å; M100-V104 WeakPolarHBondContact O-CG2 3.12Å; M100-V104 PolarHBondContact O-N 3.49Å; L101-V104 PolarHBondContact O-N 2.89Å; V104-N107 PolarHBondContact O-N 3.21Å; V104-H108 WeakPolarHBondContact CG1-ND1 3.47Å; V104-H108 WeakPolarHBondContact O-CB 3.46Å; V104-H108 PolarHBondContact O-N 2.82Å; V104-H108 PolarHBondContact O-ND1 2.86Å |
| 105 | M | 88.2 | Confident | 80.5 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.02 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 177.9 | -71.6 | -173.7 | 77.3 | 0 | 0 | 112.4 | Y65 L101 Q102 E103 S109 I110 V112 | Y65-M105 HydrophobicContact CD1-SD 3.8Å; Y65-M105 HydrophobicContact CE1-CE 3.87Å; Y65-M105 HydrophobicContact CE1-SD 3.17Å; Y65-M105 WeakPolarHBondContact CE1-SD 3.45Å; L101-M105 HydrophobicContact CD1-CG 4.25Å; L101-M105 HydrophobicContact CD1-SD 4.17Å; L101-M105 HydrophobicContact CG-CG 4.46Å; L101-M105 HydrophobicContact CG-SD 4.05Å; L101-M105 WeakPolarHBondContact O-CB 3.41Å; L101-M105 WeakPolarHBondContact O-CG 3.46Å; L101-M105 PolarHBondContact O-N 3.18Å; Q102-M105 PolarHBondContact O-N 3.08Å; E103-M105 VanDerWaalsContact C-N 3.33Å; E103-M105 PolarHBondContact O-N 3.15Å; M105-S109 PolarHBondContact O-N 2.82Å; M105-I110 HydrophobicContact CE-CB 4.29Å; M105-I110 HydrophobicContact CE-CG2 3.67Å; M105-I110 PolarHBondContact O-N 2.93Å; M105-V112 HydrophobicContact CE-CB 4.07Å; M105-V112 HydrophobicContact CE-CG1 3.46Å; M105-V112 VanDerWaalsContact CE-CG1 3.46Å; M105-V112 HydrophobicContact CE-CG2 3.78Å |
| 106 | H | 85.5 | Confident | 77.9 | Confident | 152 Ų | 152 | 70.6 Ų | 70.6 | 70% | 0.704 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.8 | -46.1 | 174.8 | -171.5 | 67.7 | 0 | 0 | 0 | 112 | Q102 E103 H108 S109 | Q102-H106 WeakPolarHBondContact O-CB 3.41Å; Q102-H106 PolarHBondContact O-N 3.17Å; E103-H106 PolarHBondContact O-N 3.44Å; H106-H108 VanDerWaalsContact C-N 3.28Å; H106-H108 PolarHBondContact O-N 3.15Å; H106-S109 PolarHBondContact O-N 3.34Å |
| 107 | N | 84.1 | Confident | 75.5 | Confident | 105 Ų | 105 | 72.7 Ų | 72.7 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.9 | -37.2 | 178.6 | -72.6 | -20 | 0 | 0 | 0 | 112 | E103 V104 S109 | E103-N107 WeakPolarHBondContact O-CB 3.26Å; E103-N107 PolarHBondContact O-N 3.33Å; E103-N107 PolarHBondContact O-ND2 2.87Å; V104-N107 PolarHBondContact O-N 3.21Å; N107-S109 VanDerWaalsContact C-N 3.29Å; N107-S109 PolarHBondContact O-N 2.85Å |
| 108 | H | 78.4 | Confident | 73.2 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 42% | 0.421 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 5.1 | 176.4 | -64.9 | 105.2 | 0 | 0 | 0 | 114.2 | E42 V104 H106 I110 | E42-H108 PolarHBondContact O-CE1 3.35Å; E42-H108 PolarHBondContact O-ND1 3.2Å; E42-H108 PolarHBondContact O-NE2 3.32Å; V104-H108 WeakPolarHBondContact CG1-ND1 3.47Å; V104-H108 WeakPolarHBondContact O-CB 3.46Å; V104-H108 PolarHBondContact O-N 2.82Å; V104-H108 PolarHBondContact O-ND1 2.86Å; H106-H108 VanDerWaalsContact C-N 3.28Å; H106-H108 PolarHBondContact O-N 3.15Å; H108-I110 HydrophobicContact CB-CD1 3.63Å; H108-I110 HydrophobicContact CB-CG1 3.7Å; H108-I110 PolarHBondContact O-N 2.87Å |
| 109 | S | 77.9 | Confident | 70.5 | Confident | 114 Ų | 114 | 84.8 Ų | 84.8 | 80% | 0.797 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 33.6 | -175 | -58.1 | 0 | 0 | 0 | 0 | 113.3 | M105 H106 N107 | M105-S109 PolarHBondContact O-N 2.82Å; H106-S109 PolarHBondContact O-N 3.34Å; N107-S109 VanDerWaalsContact C-N 3.29Å; N107-S109 PolarHBondContact O-N 2.85Å |
| 110 | I | 78.9 | Confident | 68.1 | Low | 33 Ų | 33 | 87.3 Ų | 87.3 | 17% | 0.169 | 48% | 0.481 | C | S | . | . | trans | -90.9 | 109.1 | 179.8 | -58.8 | 174.7 | 0 | 0 | 0 | 108.4 | L60 M105 H108 | L60-I110 HydrophobicContact CD2-CD1 3.93Å; L60-I110 HydrophobicContact CD2-CG1 3.83Å; L60-I110 HydrophobicContact CD2-CG2 3.99Å; L60-I110 HydrophobicContact CG-CD1 4.11Å; M105-I110 HydrophobicContact CE-CB 4.29Å; M105-I110 HydrophobicContact CE-CG2 3.67Å; M105-I110 PolarHBondContact O-N 2.93Å; H108-I110 HydrophobicContact CB-CD1 3.63Å; H108-I110 HydrophobicContact CB-CG1 3.7Å; H108-I110 PolarHBondContact O-N 2.87Å | ||
| 111 | S | 71.8 | Confident | 65.4 | Low | 81 Ų | 81 | 92.3 Ų | 92.3 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | trans | -93.7 | 120.5 | 169.7 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | V113 | S111-V113 PolarHBondContact O-N 3.32Å; S111-V113 WeakPolarHBondContact OG-CB 3.46Å; S111-V113 WeakPolarHBondContact OG-CG2 3.28Å; S111-V113 PolarHBondContact OG-N 3.01Å | ||
| 112 | V | 63.2 | Low | 63 | Low | 20 Ų | 20 | 101.5 Ų | 101.5 | 12% | 0.121 | 55% | 0.551 | C | S | . | * | trans | -75.3 | 2 | 171 | -102.4 | 0 | 0 | 0 | 0 | 113.4 | L62 Y65 M105 E114 | L62-V112 HydrophobicContact CB-CG1 4.3Å; L62-V112 VanDerWaalsContact O-CG1 3.22Å; L62-V112 WeakPolarHBondContact O-CG1 3.19Å; Y65-V112 HydrophobicContact CD1-CG1 4.46Å; Y65-V112 HydrophobicContact CD1-CG2 4.27Å; Y65-V112 HydrophobicContact CE1-CG1 4.41Å; Y65-V112 HydrophobicContact CE1-CG2 3.56Å; M105-V112 HydrophobicContact CE-CB 4.07Å; M105-V112 HydrophobicContact CE-CG1 3.46Å; M105-V112 VanDerWaalsContact CE-CG1 3.46Å; M105-V112 HydrophobicContact CE-CG2 3.78Å; V112-E114 PolarHBondContact O-N 2.74Å; V112-E114 VanDerWaalsContact O-N 3.15Å | ||
| 113 | V | 55.2 | Low | 60.4 | Low | 74 Ų | 74 | 108 Ų | 108 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -63.8 | 120.8 | 175.9 | 178 | 0 | 0 | 0 | 0 | 108.6 | S111 E115 | S111-V113 PolarHBondContact O-N 3.32Å; S111-V113 WeakPolarHBondContact OG-CB 3.46Å; S111-V113 WeakPolarHBondContact OG-CG2 3.28Å; S111-V113 PolarHBondContact OG-N 3.01Å; V113-E115 PolarHBondContact O-N 2.86Å |
| 114 | E | 49.1 | Very low | 57.7 | Low | 182 Ų | 182 | 106 Ų | 106 | 85% | 0.85 | 59% | 0.593 | S | S | * | * | trans | -52.1 | 101.7 | 167.1 | -175 | 176.6 | 173.1 | 0 | 0 | 108.5 | V112 A116 | V112-E114 PolarHBondContact O-N 2.74Å; V112-E114 VanDerWaalsContact O-N 3.15Å; E114-A116 VanDerWaalsContact C-N 3.3Å; E114-A116 PolarHBondContact O-N 2.96Å | ||
| 115 | E | 41 | Very low | 55.2 | Low | 146 Ų | 146 | 109.4 Ų | 109.4 | 68% | 0.682 | 62% | 0.623 | S | S | * | * | trans | -66.7 | 95 | 169.8 | -166 | -178.7 | -170.1 | 0 | 0 | 106.9 | V113 V117 L118 | V113-E115 PolarHBondContact O-N 2.86Å; E115-V117 PolarHBondContact O-N 2.97Å; E115-L118 HydrophobicContact CG-CG 4.3Å | ||
| 116 | A | 39.5 | Very low | 52.5 | Low | 70 Ų | 70 | 117.3 Ų | 117.3 | 58% | 0.579 | 67% | 0.665 | S | S | * | * | trans | -51.9 | 122.7 | 154 | 0 | 0 | 0 | 0 | 0 | 105.9 | E114 L118 | E114-A116 VanDerWaalsContact C-N 3.3Å; E114-A116 PolarHBondContact O-N 2.96Å; A116-L118 WeakPolarHBondContact O-CD2 3.28Å; A116-L118 WeakPolarHBondContact O-CG 3.37Å; A116-L118 PolarHBondContact O-N 3.23Å | ||
| 117 | V | 41.3 | Very low | 49.8 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | trans | -42.9 | 99 | -176.3 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | E115 | E115-V117 PolarHBondContact O-N 2.97Š| ||
| 118 | L | 45.5 | Very low | 48.1 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 63% | 0.634 | 68% | 0.681 | S | S | * | * | trans | -95.6 | 114 | 162.2 | -16 | 167 | 0 | 0 | 0 | 104.6 | E115 A116 P120 | E115-L118 HydrophobicContact CG-CG 4.3Å; A116-L118 WeakPolarHBondContact O-CD2 3.28Å; A116-L118 WeakPolarHBondContact O-CG 3.37Å; A116-L118 PolarHBondContact O-N 3.23Å; L118-P120 WeakPolarHBondContact O-CD 3.37Å | ||
| 119 | D | 36.1 | Very low | 45.6 | Very low | 143 Ų | 143 | 117.5 Ų | 117.5 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | -47.5 | 121.6 | 171.9 | -86.1 | -64.6 | 0 | 0 | 0 | 111.5 | N121 | D119-N121 VanDerWaalsContact C-N 3.26Å; D119-N121 PolarHBondContact O-N 2.76Å | ||
| 120 | P | 41.2 | Very low | 43.2 | Very low | 128 Ų | 128 | 116.5 Ų | 116.5 | 83% | 0.831 | 70% | 0.698 | S | S | * | * | trans | -82.8 | 77.4 | 171.1 | 33.2 | -30.4 | 0 | 0 | 0 | 108.2 | L118 | L118-P120 WeakPolarHBondContact O-CD 3.37Š| ||
| 121 | N | 35.9 | Very low | 41.2 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -146.7 | 60 | 168.1 | -163.9 | 33.3 | 0 | 0 | 0 | 113.6 | D119 | D119-N121 VanDerWaalsContact C-N 3.26Å; D119-N121 PolarHBondContact O-N 2.76Å | ||
| 122 | Q | 41 | Very low | 39.1 | Very low | 194 Ų | 194 | 122.5 Ų | 122.5 | 91% | 0.907 | 74% | 0.737 | S | S | * | * | trans | -147.5 | 76.7 | 150.9 | -69.3 | -162.6 | 62.5 | 0 | 0 | 110.4 | ||||
| 123 | Q | 35.6 | Very low | 37.7 | Very low | 196 Ų | 196 | 132.7 Ų | 132.7 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -109.8 | 84 | 157.8 | -76.3 | 174.5 | 2.2 | 0 | 0 | 108.2 | ||||
| 124 | G | 32.5 | Very low | 36.4 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -81.9 | 110 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 125 | A | 36.5 | Very low | 35.7 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -50.7 | 137 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 126 | L | 32.5 | Very low | 36.4 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -146.5 | 115.2 | 152.8 | -69.5 | 179.7 | 0 | 0 | 0 | 111.2 | ||||
| 127 | T | 29.2 | Very low | 35.9 | Very low | 138 Ų | 138 | 133 Ų | 133 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -141.1 | 166.9 | 150.9 | 54.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 128 | P | 46.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | -130.6 | -178.7 | -69.9 | 35.1 | -17.1 | 0 | 0 | 0 | 112 | |||||
| 129 | A | 27.4 | Very low | 35.9 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 100.6 | 134.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 130 | A | 27.6 | Very low | 35.8 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 80.7 | 100.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 131 | L | 35.3 | Very low | 35.2 | Very low | 183 Ų | 183 | 129.6 Ų | 129.6 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | 24.3 | 123.5 | 121.5 | -89.6 | 148.3 | 0 | 0 | 0 | 119.5 | |||||
| 132 | G | 28.7 | Very low | 35 | Very low | 57 Ų | 57 | 129.5 Ų | 129.5 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | trans | 134.1 | 126 | 130.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 133 | Y | 33.1 | Very low | 34.5 | Very low | 233 Ų | 233 | 124.6 Ų | 124.6 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | 69.7 | 143.5 | 151.3 | -71.5 | -96.3 | 0 | 0 | 0 | 118.6 | ||||
| 134 | S | 29.3 | Very low | 34.3 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | cis | 179.5 | 140.7 | -11.7 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 135 | V | 34.7 | Very low | 34.4 | Very low | 141 Ų | 141 | 131 Ų | 131 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 79.6 | 146.4 | 140.5 | 172.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 136 | P | 55 | Low | 35 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | trans | -119.8 | 175.1 | -147.2 | 41.9 | -27.2 | 0 | 0 | 0 | 114.8 | ||||
| 137 | T | 28.8 | Very low | 35 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -152.4 | 128.8 | 161.5 | -63 | 0 | 0 | 0 | 0 | 112 | ||||
| 138 | V | 36 | Very low | 35.3 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -121.1 | -177.8 | 161 | -63.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 139 | P | 50.3 | Low | 34.6 | Very low | 99 Ų | 99 | 127 Ų | 127 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | cis | -141.9 | -169.5 | -8.2 | 33.9 | -10.6 | 0 | 0 | 0 | 115.4 | ||||
| 140 | N | 33.7 | Very low | 34.7 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | 78 | 142.9 | 152.6 | -70.6 | -3.2 | 0 | 0 | 0 | 120.4 | ||||
| 141 | G | 29.8 | Very low | 35.1 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | cis | 165.2 | 144.5 | -2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 142 | V | 31.9 | Very low | 35.8 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | 88.7 | 126.2 | 133.1 | -173.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 143 | S | 30.3 | Very low | 35.9 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | 85.6 | 120.2 | 144.2 | -78.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 144 | R | 32 | Very low | 36.2 | Very low | 240 Ų | 240 | 130.7 Ų | 130.7 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | 164 | 141.5 | 85.4 | -116.7 | 172.4 | -112.8 | -104.9 | 2.7 | 113.2 | |||||
| 145 | L | 33.4 | Very low | 37 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -76.9 | -169.5 | 177.6 | -63.9 | 157.7 | 0 | 0 | 0 | 112.9 | ||||
| 146 | P | 50 | Low | 36.9 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -147.5 | 175.7 | 3.7 | 41.1 | -19.2 | 0 | 0 | 0 | 119.6 | ||||
| 147 | S | 32.1 | Very low | 35.9 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | 105.9 | 134.5 | 124.8 | -138.6 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 148 | V | 34.9 | Very low | 36.5 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | 81.1 | 124.5 | 159.1 | -160.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 149 | G | 32.3 | Very low | 36.6 | Very low | 66 Ų | 66 | 138.2 Ų | 138.2 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | cis | -176.9 | 151.7 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 150 | E | 29.6 | Very low | 36.8 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | 69.8 | 142.6 | 158.9 | -85.2 | 168.4 | 132.6 | 0 | 0 | 125 | ||||
| 151 | T | 35.8 | Very low | 37 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -126.9 | -164 | -150.8 | 53.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 152 | P | 49.6 | Very low | 37.2 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | cis | -130.1 | 162.4 | -41.8 | 25.1 | -4.8 | 0 | 0 | 0 | 113.6 | ||||
| 153 | S | 31.5 | Very low | 37.1 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -172.5 | 118.7 | 133 | 21.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 154 | H | 39.7 | Very low | 37.7 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -91.7 | -179.5 | 173.9 | -86.7 | -74.6 | 0 | 0 | 0 | 110.6 | ||||
| 155 | P | 45.5 | Very low | 37.8 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | cis | -134.7 | 174 | -27 | 29.3 | -9.3 | 0 | 0 | 0 | 112.4 | ||||
| 156 | S | 32.2 | Very low | 38.1 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | -167.2 | 112.3 | 121.8 | -154.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 157 | T | 34.4 | Very low | 37.6 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -100.6 | 135.5 | -179.9 | -73 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 158 | R | 42.1 | Very low | 37.9 | Very low | 232 Ų | 232 | 140.4 Ų | 140.4 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | -39.2 | 133.9 | 158.4 | -83.8 | 173.7 | 157.1 | -142.9 | -3.2 | 112.5 | ||||
| 159 | H | 38.7 | Very low | 37.9 | Very low | 180 Ų | 180 | 139 Ų | 139 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | trans | -149.2 | 151.7 | 134 | -96.4 | -75.4 | 0 | 0 | 0 | 110.3 | ||||
| 160 | P | 54.3 | Low | 38.2 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | trans | -91.4 | 152.5 | 177.8 | 36 | -29.9 | 0 | 0 | 0 | 111.8 | ||||
| 161 | S | 36.2 | Very low | 38.5 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 136.1 | 153 | 140.5 | -59.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 162 | V | 35.5 | Very low | 38.5 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | 89.1 | 137.6 | 157.1 | -51.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 163 | A | 30.2 | Very low | 37.9 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 96.4 | 94.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 164 | S | 42.8 | Very low | 38 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -62.5 | 134.3 | 147.5 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 165 | T | 33.5 | Very low | 37.8 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 171.3 | 119.2 | 145.2 | 25.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 166 | R | 40.3 | Very low | 37.4 | Very low | 253 Ų | 253 | 141.1 Ų | 141.1 | 96% | 0.955 | 81% | 0.805 | S | S | * | * | trans | 179.6 | 134.5 | 137 | -95.3 | 161.9 | -166.1 | -137.6 | 4.3 | 111.2 | ||||
| 167 | L | 38.3 | Very low | 37.7 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -73.5 | 170.4 | -168.1 | -54.4 | 160.1 | 0 | 0 | 0 | 114 | ||||
| 168 | P | 39.3 | Very low | 37.8 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | -118.3 | 117.8 | 129.5 | 33.1 | -22.6 | 0 | 0 | 0 | 109 | |||||
| 169 | S | 35.3 | Very low | 37.6 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 66.2 | 105 | 82.7 | -157 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 170 | V | 37.5 | Very low | 37.6 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -83.2 | 147.3 | 175.2 | -161.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 171 | G | 35.5 | Very low | 36.9 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -176.5 | 84.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 172 | E | 36.6 | Very low | 37.2 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | 50.6 | 113.7 | 135.3 | -66.1 | 166.9 | 150.8 | 0 | 0 | 122.7 | ||||
| 173 | E | 36.1 | Very low | 37.3 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | 57 | 120.4 | 129.7 | 82.5 | -150.2 | -167.6 | 0 | 0 | 123.7 | |||||
| 174 | S | 35.1 | Very low | 38.1 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | -163.4 | 121.4 | 125.8 | -136.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 175 | T | 35.5 | Very low | 38.4 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | trans | -66.1 | 144.4 | 170.6 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 176 | H | 35.6 | Very low | 39.5 | Very low | 175 Ų | 175 | 134 Ų | 134 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | 176 | 155.4 | 133.2 | -86.3 | -49.1 | 0 | 0 | 0 | 110.8 | ||||
| 177 | P | 39.6 | Very low | 41.1 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | -102.1 | 168.3 | -113.1 | 38.9 | -40.1 | 0 | 0 | 0 | 116.2 | L179 | P177-L179 PolarHBondContact O-N 2.95Š| |||
| 178 | L | 36.9 | Very low | 42.2 | Very low | 150 Ų | 150 | 121.9 Ų | 121.9 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -28.1 | 117.7 | 161.6 | -75.2 | 163.6 | 0 | 0 | 0 | 114.4 | V180 | L178-V180 HydrophobicContact CD2-CG2 4.17Š| ||
| 179 | L | 37.1 | Very low | 43.1 | Very low | 171 Ų | 171 | 117.7 Ų | 117.7 | 90% | 0.895 | 68% | 0.676 | S | S | * | * | trans | -121.3 | 110.5 | 132.2 | -75.8 | 179 | 0 | 0 | 0 | 107.4 | P177 A181 | P177-L179 PolarHBondContact O-N 2.95Å; L179-A181 VanDerWaalsContact C-N 3.33Å; L179-A181 PolarHBondContact O-N 2.85Å | ||
| 180 | V | 39.1 | Very low | 44 | Very low | 128 Ų | 128 | 117.4 Ų | 117.4 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | trans | -64 | 97.5 | 161.6 | 175.8 | 0 | 0 | 0 | 0 | 106 | L178 | L178-V180 HydrophobicContact CD2-CG2 4.17Š| ||
| 181 | A | 38.4 | Very low | 44 | Very low | 75 Ų | 75 | 113.4 Ų | 113.4 | 62% | 0.62 | 64% | 0.641 | S | S | * | * | trans | -97.6 | 120.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 105.3 | L179 E183 | L179-A181 VanDerWaalsContact C-N 3.33Å; L179-A181 PolarHBondContact O-N 2.85Å; A181-E183 PolarHBondContact O-N 2.86Å | ||
| 182 | D | 42.7 | Very low | 44 | Very low | 158 Ų | 158 | 116.1 Ų | 116.1 | 85% | 0.845 | 65% | 0.645 | S | S | * | * | trans | -60.6 | 79.6 | 167.8 | -170.4 | 48 | 0 | 0 | 0 | 107.8 | A184 | D182-A184 PolarHBondContact O-N 2.9Š| ||
| 183 | E | 38.3 | Very low | 43.9 | Very low | 159 Ų | 159 | 112.4 Ų | 112.4 | 74% | 0.743 | 65% | 0.651 | S | S | * | * | trans | -77.8 | 105 | 166.5 | -65.9 | -136.2 | 135.7 | 0 | 0 | 105.8 | A181 V185 | A181-E183 PolarHBondContact O-N 2.86Å; E183-V185 HydrophobicContact CB-CG2 4.42Å; E183-V185 WeakPolarHBondContact O-CG2 3.12Å; E183-V185 PolarHBondContact O-N 3.24Å | ||
| 184 | A | 46.5 | Very low | 43.9 | Very low | 54 Ų | 54 | 111.5 Ų | 111.5 | 45% | 0.446 | 65% | 0.651 | S | S | . | * | trans | -63.6 | 89.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | D68 D182 H186 | D68-A184 WeakPolarHBondContact OD2-CB 3.44Å; D182-A184 PolarHBondContact O-N 2.9Å; A184-H186 PolarHBondContact O-N 2.78Å | ||
| 185 | V | 48.6 | Very low | 43.8 | Very low | 100 Ų | 100 | 112.7 Ų | 112.7 | 61% | 0.606 | 65% | 0.647 | S | S | * | * | trans | -71.6 | 102.2 | -178.2 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | E183 T187 | E183-V185 HydrophobicContact CB-CG2 4.42Å; E183-V185 WeakPolarHBondContact O-CG2 3.12Å; E183-V185 PolarHBondContact O-N 3.24Å; V185-T187 PolarHBondContact O-N 3.22Å; V185-T187 PolarHBondContact O-OG1 3.46Å | ||
| 186 | H | 57.8 | Low | 43.8 | Very low | 84 Ų | 84 | 115 Ų | 115 | 39% | 0.389 | 65% | 0.65 | S | S | . | * | trans | -61 | 103.7 | 168.3 | -66.6 | -46.1 | 0 | 0 | 0 | 109.8 | D68 L71 A184 Y188 | D68-H186 WeakPolarHBondContact CB-ND1 3.45Å; D68-H186 IonicContact OD2-CE1 3.98Å; D68-H186 PolarHBondContact OD2-CE1 2.79Å; D68-H186 IonicContact OD2-ND1 2.8Å; D68-H186 PolarHBondContact OD2-ND1 3.42Å; L71-H186 WeakPolarHBondContact CD2-CE1 3.36Å; A184-H186 PolarHBondContact O-N 2.78Å; H186-Y188 HydrophobicContact CB-CD2 4.4Å; H186-Y188 HydrophobicContact CB-CE2 3.85Å; H186-Y188 WeakPolarHBondContact O-CD2 3.47Å; H186-Y188 PolarHBondContact O-N 3.07Å | ||
| 187 | T | 74.2 | Confident | 43.5 | Very low | 74 Ų | 74 | 113.9 Ų | 113.9 | 45% | 0.454 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 103.2 | -179.5 | -62 | 0 | 0 | 0 | 0 | 108.9 | G66 V185 V189 | G66-T187 VanDerWaalsContact CA-O 3.28Å; G66-T187 WeakPolarHBondContact CA-O 3.27Å; V185-T187 PolarHBondContact O-N 3.22Å; V185-T187 PolarHBondContact O-OG1 3.46Å; T187-V189 HydrophobicContact CG2-CG2 4.05Å |
| 188 | Y | 61 | Low | 42.9 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 37% | 0.369 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 115.4 | 168.6 | -70 | -84.8 | 0 | 0 | 0 | 108.6 | R64 H186 N190 | R64-Y188 HydrophobicContact CG-CD1 4.26Å; H186-Y188 HydrophobicContact CB-CD2 4.4Å; H186-Y188 HydrophobicContact CB-CE2 3.85Å; H186-Y188 WeakPolarHBondContact O-CD2 3.47Å; H186-Y188 PolarHBondContact O-N 3.07Å; Y188-N190 PolarHBondContact O-N 3.33Å |
| 189 | V | 58.6 | Low | 42.6 | Very low | 36 Ų | 36 | 114.7 Ų | 114.7 | 22% | 0.218 | 65% | 0.649 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 112.3 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 109 | Y65 F98 T187 T191 | Y65-V189 PolarHBondContact O-N 2.68Å; F98-V189 HydrophobicContact CE2-CB 4.41Å; F98-V189 HydrophobicContact CE2-CG2 4.17Å; F98-V189 HydrophobicContact CZ-CB 4.13Å; F98-V189 HydrophobicContact CZ-CG2 3.64Å; T187-V189 HydrophobicContact CG2-CG2 4.05Å; V189-T191 HydrophobicContact CG1-CG2 3.88Å |
| 190 | N | 53.1 | Low | 42 | Very low | 108 Ų | 108 | 111.4 Ų | 111.4 | 58% | 0.578 | 64% | 0.641 | S | S | * | * | trans | -94.4 | 115.9 | 153 | -65.9 | -0.6 | 0 | 0 | 0 | 105.1 | Y188 T192 | Y188-N190 PolarHBondContact O-N 3.33Å; N190-T192 PolarHBondContact O-N 2.91Å | ||
| 191 | T | 38.6 | Very low | 42.2 | Very low | 65 Ų | 65 | 110.3 Ų | 110.3 | 40% | 0.399 | 64% | 0.637 | S | S | . | * | trans | -68 | 90.3 | -172.1 | 42.8 | 0 | 0 | 0 | 0 | 111.8 | V189 | V189-T191 HydrophobicContact CG1-CG2 3.88Š| ||
| 192 | T | 34.5 | Very low | 41.7 | Very low | 122 Ų | 122 | 114.1 Ų | 114.1 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | trans | -135.8 | 110.6 | 165.1 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | N190 | N190-T192 PolarHBondContact O-N 2.91Š| ||
| 193 | G | 34.9 | Very low | 41 | Very low | 89 Ų | 89 | 112.3 Ų | 112.3 | 92% | 0.918 | 64% | 0.64 | S | S | * | * | trans | 87 | 112.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 194 | L | 35.8 | Very low | 40.6 | Very low | 152 Ų | 152 | 110.7 Ų | 110.7 | 80% | 0.796 | 64% | 0.641 | S | S | * | * | trans | -106.7 | 128.3 | 171.6 | -170.4 | 176.4 | 0 | 0 | 0 | 107.4 | ||||
| 195 | L | 33.8 | Very low | 39.8 | Very low | 150 Ų | 150 | 114.3 Ų | 114.3 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -176.4 | 140.5 | 135.7 | -146.8 | 55.8 | 0 | 0 | 0 | 114.4 | ||||
| 196 | E | 35 | Very low | 38.7 | Very low | 158 Ų | 158 | 115.4 Ų | 115.4 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | trans | -58.1 | 158.2 | -177.4 | -65.8 | 157.3 | 92.9 | 0 | 0 | 117 | ||||
| 197 | D | 29.7 | Very low | 38 | Very low | 152 Ų | 152 | 116.4 Ų | 116.4 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | 173.4 | 140.9 | 104.3 | -164.8 | -111.9 | 0 | 0 | 0 | 112.6 | |||||
| 198 | Q | 26.5 | Very low | 35.7 | Very low | 170 Ų | 170 | 120 Ų | 120 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | trans | -126 | 135.8 | 170.5 | 163.4 | -173.4 | 107.6 | 0 | 0 | 105.6 | ||||
| 199 | P | 30.7 | Very low | 34.1 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | -156.9 | 158.7 | 87.2 | 36.4 | -12.9 | 0 | 0 | 0 | 119.9 | |||||
| 200 | S | 23.3 | Very low | 32.5 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | -69.1 | -171.7 | 163 | -42.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 201 | P | 44.3 | Very low | 32.3 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | cis | -143.6 | -170.9 | -2.5 | 30.8 | -4.4 | 0 | 0 | 0 | 116.9 | ||||
| 202 | L | 28.7 | Very low | 31.6 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | 85.5 | 139.3 | 159 | -49.2 | 176.7 | 0 | 0 | 0 | 116.8 | ||||
| 203 | T | 27.8 | Very low | 31.3 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | cis | -171.4 | 135.2 | 34.4 | -15.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 204 | V | 28.7 | Very low | 31.8 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | 34.5 | 129.4 | 131.9 | -169.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 205 | V | 30.3 | Very low | 31.5 | Very low | 130 Ų | 130 | 132 Ų | 132 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | 160.4 | 126.9 | 116.1 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 206 | T | 26 | Very low | 31.3 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -73.9 | -166.2 | 169.3 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 207 | P | 41.5 | Very low | 31.1 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | cis | -142.5 | -179.7 | -0.4 | 41.5 | -21.1 | 0 | 0 | 0 | 117.3 | ||||
| 208 | L | 27.9 | Very low | 31.3 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | 69 | 142.8 | 145.4 | -118.6 | 58 | 0 | 0 | 0 | 118.4 | ||||
| 209 | E | 26.8 | Very low | 32 | Very low | 171 Ų | 171 | 127.9 Ų | 127.9 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | cis | -169.5 | 147.8 | 35.3 | -158.9 | 164.1 | 166.9 | 0 | 0 | 109.9 | ||||
| 210 | S | 25.4 | Very low | 32.8 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -86.6 | -168.6 | 170.5 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 211 | P | 47.4 | Very low | 33.6 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | cis | -132.8 | -172.6 | -7.3 | 32 | -7.4 | 0 | 0 | 0 | 112.8 | ||||
| 212 | T | 25.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 173.7 | 141.5 | 93 | -35.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 213 | S | 26.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -91.6 | -161.9 | 169.3 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 214 | P | 47.2 | Very low | 35.4 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -138.2 | -173.4 | -12 | 37.3 | -15.5 | 0 | 0 | 0 | 115 | ||||
| 215 | Q | 29.6 | Very low | 36.3 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | 159.9 | 151.7 | 118.7 | -146.7 | 166.2 | -5.1 | 0 | 0 | 115.6 | |||||
| 216 | S | 29.4 | Very low | 36.8 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -97.8 | 170.8 | -158.4 | -28.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 217 | Q | 30.1 | Very low | 37.1 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | 164.9 | 146.7 | 122.2 | -87.3 | 173.5 | 23.1 | 0 | 0 | 115.1 | |||||
| 218 | C | 33.7 | Very low | 36.6 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -110.3 | 167.8 | 177.1 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 219 | P | 41.3 | Very low | 36.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -140 | 176.5 | 142.4 | 30.7 | -9.7 | 0 | 0 | 0 | 116 | ||||
| 220 | P | 46.8 | Very low | 37.1 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -113.4 | -179.5 | -144.4 | 42.7 | -35 | 0 | 0 | 0 | 118.8 | ||||
| 221 | T | 40.5 | Very low | 37.5 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -92.6 | 159.7 | -170.5 | -38.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 222 | P | 42.7 | Very low | 36.9 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -122.8 | 168.4 | 158.9 | 37.9 | -24.4 | 0 | 0 | 0 | 116 | ||||
| 223 | P | 48.9 | Very low | 37.6 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -101.7 | 175.5 | -161.6 | 40.2 | -34.9 | 0 | 0 | 0 | 116.7 | ||||
| 224 | P | 46.9 | Very low | 38.3 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -106.5 | 165.7 | -170.8 | 39.7 | -32.6 | 0 | 0 | 0 | 116.7 | ||||
| 225 | P | 47.4 | Very low | 38 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -107 | 175.5 | 172.8 | 40.8 | -31.3 | 0 | 0 | 0 | 114.7 | ||||
| 226 | P | 40.7 | Very low | 38.5 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -100.5 | 167.4 | -145.2 | 38.7 | -35.3 | 0 | 0 | 0 | 117.7 | ||||
| 227 | R | 34.3 | Very low | 39.2 | Very low | 220 Ų | 220 | 139.3 Ų | 139.3 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -63.1 | 138.2 | -176.2 | -70.9 | 175.2 | 164.1 | 162.4 | -7.6 | 114.9 | ||||
| 228 | A | 30.6 | Very low | 40.2 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -118.1 | 131.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 229 | R | 31.4 | Very low | 41.2 | Very low | 249 Ų | 249 | 133.5 Ų | 133.5 | 94% | 0.94 | 78% | 0.78 | S | S | * | * | trans | -88.9 | 123.8 | -175.7 | 177.5 | 179.6 | 178.6 | 149.8 | -1.2 | 109.5 | ||||
| 230 | V | 34.3 | Very low | 41.9 | Very low | 140 Ų | 140 | 134 Ų | 134 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -130.3 | 135.1 | 165.3 | 179.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 231 | E | 33.6 | Very low | 42.7 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 148.6 | -174.5 | -167.2 | -179.3 | 166.4 | 0 | 0 | 113.5 | V233 | E231-V233 PolarHBondContact O-N 3.02Š|
| 232 | P | 34.7 | Very low | 43.9 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 118.8 | -177.3 | 29.4 | -31.1 | 0 | 0 | 0 | 112.8 | ||
| 233 | V | 39.1 | Very low | 45.3 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 144 | 165 | 174 | 0 | 0 | 0 | 0 | 109.4 | E231 | E231-V233 PolarHBondContact O-N 3.02Š|
| 234 | P | 40.4 | Very low | 46.5 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 69% | 0.688 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 149.3 | 179.2 | 25.1 | -35.3 | 0 | 0 | 0 | 112.1 | T236 | P234-T236 PolarHBondContact O-N 3.36Š|
| 235 | P | 41.1 | Very low | 47.3 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 84% | 0.844 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 120.6 | -172.7 | 25.6 | -32.7 | 0 | 0 | 0 | 111.2 | ||
| 236 | T | 40.5 | Very low | 48.7 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 144.5 | 165.5 | 31 | 0 | 0 | 0 | 0 | 110.4 | P234 Q238 | P234-T236 PolarHBondContact O-N 3.36Å; T236-Q238 PolarHBondContact O-N 2.69Å |
| 237 | P | 44.3 | Very low | 50 | Low | 123 Ų | 123 | 127.3 Ų | 127.3 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 132.6 | -179.7 | 25.4 | -32 | 0 | 0 | 0 | 110.4 | ||
| 238 | Q | 50.8 | Low | 51.4 | Low | 115 Ų | 115 | 125.5 Ų | 125.5 | 54% | 0.537 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -51.7 | 138.3 | 173.7 | -74.3 | -88.9 | -22.6 | 0 | 0 | 110.3 | T236 E240 M264 | T236-Q238 PolarHBondContact O-N 2.69Å; Q238-E240 VanDerWaalsContact C-N 3.34Å; Q238-E240 PolarHBondContact O-N 2.92Å; Q238-M264 PolarHBondContact NE2-SD 3.41Å |
| 239 | P | 54.2 | Low | 53.1 | Low | 75 Ų | 75 | 122.6 Ų | 122.6 | 49% | 0.487 | 68% | 0.679 | S | S | . | * | trans | -72.3 | 93.8 | 174.5 | 29.2 | -30.8 | 0 | 0 | 0 | 108.5 | ||||
| 240 | E | 56.1 | Low | 54.9 | Low | 139 Ų | 139 | 114.4 Ų | 114.4 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | trans | -64.3 | 150.3 | 166.1 | -71.6 | -167.1 | 152.1 | 0 | 0 | 109.9 | Q238 Q242 | Q238-E240 VanDerWaalsContact C-N 3.34Å; Q238-E240 PolarHBondContact O-N 2.92Å; E240-Q242 WeakPolarHBondContact O-CG 3.35Å; E240-Q242 PolarHBondContact O-N 3.36Å | ||
| 241 | P | 65.3 | Low | 56.9 | Low | 100 Ų | 100 | 114.1 Ų | 114.1 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | trans | -59 | 117.2 | 176.4 | 24.9 | -33.3 | 0 | 0 | 0 | 109.7 | V253 | P241-V253 WeakPolarHBondContact CA-O 3.03Š| ||
| 242 | Q | 65.5 | Low | 58.9 | Low | 122 Ų | 122 | 112.8 Ų | 112.8 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.3 | -176.8 | -75.5 | 177.7 | 12.8 | 0 | 0 | 110.6 | E240 V253 | E240-Q242 WeakPolarHBondContact O-CG 3.35Å; E240-Q242 PolarHBondContact O-N 3.36Å; Q242-V253 PolarHBondContact N-O 3.36Å; Q242-V253 VanDerWaalsContact N-O 3.13Å; Q242-V253 PolarHBondContact O-N 2.98Å |
| 243 | V | 70.4 | Confident | 61.1 | Low | 89 Ų | 89 | 109.8 Ų | 109.8 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 107.1 | 171.7 | -174.9 | 0 | 0 | 0 | 0 | 107.1 | L245 V250 F252 | V243-L245 HydrophobicContact CG1-CD1 4.2Å; V243-V250 HydrophobicContact CG1-CG1 3.49Å; V243-V250 VanDerWaalsContact CG1-CG1 3.49Å; V243-F252 HydrophobicContact CB-CD1 4.44Å; V243-F252 HydrophobicContact CB-CE1 4.45Å; V243-F252 HydrophobicContact CG1-CD1 4.06Å; V243-F252 HydrophobicContact CG1-CE1 3.72Å; V243-F252 HydrophobicContact CG1-CZ 4.29Å; V243-F252 HydrophobicContact CG2-CD1 3.77Å; V243-F252 HydrophobicContact CG2-CE1 3.89Å |
| 244 | L | 74.2 | Confident | 62.8 | Low | 85 Ų | 85 | 110.9 Ų | 110.9 | 45% | 0.445 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.5 | -179.9 | -176.1 | 64.9 | 0 | 0 | 0 | 109.1 | E246 R251 | L244-E246 HydrophobicContact CD2-CG 4.11Å; L244-E246 HydrophobicContact CG-CG 4.13Å; L244-E246 PolarHBondContact O-N 3.39Å; L244-R251 PolarHBondContact N-O 3.26Å; L244-R251 PolarHBondContact O-N 3.35Å |
| 245 | L | 65 | Low | 64.7 | Low | 136 Ų | 136 | 106.8 Ų | 106.8 | 71% | 0.712 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 113.6 | 171.9 | -82 | 74.2 | 0 | 0 | 0 | 108.5 | V243 V250 | V243-L245 HydrophobicContact CG1-CD1 4.2Å; L245-V250 HydrophobicContact CD1-CG1 4.33Å; L245-V250 HydrophobicContact CG-CG2 4.23Å |
| 246 | E | 75.8 | Confident | 66.6 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 158.2 | 173.3 | -71.5 | -171.1 | 155.5 | 0 | 0 | 110.8 | L244 Q248 G249 R251 | L244-E246 HydrophobicContact CD2-CG 4.11Å; L244-E246 HydrophobicContact CG-CG 4.13Å; L244-E246 PolarHBondContact O-N 3.39Å; E246-Q248 PolarHBondContact O-N 3.39Å; E246-G249 CarbonylContact C-O 3.48Å; E246-G249 WeakPolarHBondContact CA-O 3.45Å; E246-G249 PolarHBondContact N-O 3.28Å; E246-G249 PolarHBondContact O-N 3.28Å; E246-R251 IonicContact OE1-CZ 2.6Å; E246-R251 IonicContact OE1-NH2 3.12Å; E246-R251 PolarHBondContact OE1-NH2 3.26Å; E246-R251 IonicContact OE2-CZ 3.75Å; E246-R251 IonicContact OE2-NE 3.56Å; E246-R251 IonicContact OE2-NH2 2.85Å; E246-R251 PolarHBondContact OE2-NH2 3.26Å |
| 247 | P | 69.1 | Low | 68.7 | Low | 122 Ų | 122 | 98.8 Ų | 98.8 | 79% | 0.792 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.3 | -174 | -23.8 | 34.8 | 0 | 0 | 0 | 115.4 | ||
| 248 | Q | 62.2 | Low | 70.4 | Confident | 182 Ų | 182 | 98.2 Ų | 98.2 | 85% | 0.85 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 3.4 | 178.4 | -76.4 | 71.4 | 51.5 | 0 | 0 | 113.7 | E246 | E246-Q248 PolarHBondContact O-N 3.39Š|
| 249 | G | 66.4 | Low | 71.9 | Confident | 40 Ų | 40 | 97 Ų | 97 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E246 | E246-G249 CarbonylContact C-O 3.48Å; E246-G249 WeakPolarHBondContact CA-O 3.45Å; E246-G249 PolarHBondContact N-O 3.28Å; E246-G249 PolarHBondContact O-N 3.28Å |
| 250 | V | 70.8 | Confident | 73.2 | Confident | 77 Ų | 77 | 98.3 Ų | 98.3 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.8 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | V243 L245 F252 | V243-V250 HydrophobicContact CG1-CG1 3.49Å; V243-V250 VanDerWaalsContact CG1-CG1 3.49Å; L245-V250 HydrophobicContact CD1-CG1 4.33Å; L245-V250 HydrophobicContact CG-CG2 4.23Å; V250-F252 HydrophobicContact CB-CE2 4.06Å; V250-F252 HydrophobicContact CB-CZ 4.37Å; V250-F252 HydrophobicContact CG1-CD2 4.37Å; V250-F252 HydrophobicContact CG1-CE1 4.31Å; V250-F252 HydrophobicContact CG1-CE2 3.74Å; V250-F252 HydrophobicContact CG1-CZ 3.7Å |
| 251 | R | 74.8 | Confident | 74.5 | Confident | 133 Ų | 133 | 97.5 Ų | 97.5 | 50% | 0.502 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.9 | 175.2 | -167.3 | -175.5 | -58.7 | 178.9 | 5.9 | 109.7 | L244 E246 | L244-R251 PolarHBondContact N-O 3.26Å; L244-R251 PolarHBondContact O-N 3.35Å; E246-R251 IonicContact OE1-CZ 2.6Å; E246-R251 IonicContact OE1-NH2 3.12Å; E246-R251 PolarHBondContact OE1-NH2 3.26Å; E246-R251 IonicContact OE2-CZ 3.75Å; E246-R251 IonicContact OE2-NE 3.56Å; E246-R251 IonicContact OE2-NH2 2.85Å; E246-R251 PolarHBondContact OE2-NH2 3.26Å |
| 252 | F | 75.9 | Confident | 75.2 | Confident | 140 Ų | 140 | 99.6 Ų | 99.6 | 61% | 0.614 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.1 | 173.8 | -61.4 | -91.6 | 0 | 0 | 0 | 108.8 | V243 V250 | V243-F252 HydrophobicContact CB-CD1 4.44Å; V243-F252 HydrophobicContact CB-CE1 4.45Å; V243-F252 HydrophobicContact CG1-CD1 4.06Å; V243-F252 HydrophobicContact CG1-CE1 3.72Å; V243-F252 HydrophobicContact CG1-CZ 4.29Å; V243-F252 HydrophobicContact CG2-CD1 3.77Å; V243-F252 HydrophobicContact CG2-CE1 3.89Å; V250-F252 HydrophobicContact CB-CE2 4.06Å; V250-F252 HydrophobicContact CB-CZ 4.37Å; V250-F252 HydrophobicContact CG1-CD2 4.37Å; V250-F252 HydrophobicContact CG1-CE1 4.31Å; V250-F252 HydrophobicContact CG1-CE2 3.74Å; V250-F252 HydrophobicContact CG1-CZ 3.7Å |
| 253 | V | 80.6 | Confident | 76.1 | Confident | 62 Ų | 62 | 99.8 Ų | 99.8 | 38% | 0.376 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 105.3 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | P241 Q242 | P241-V253 WeakPolarHBondContact CA-O 3.03Å; Q242-V253 PolarHBondContact N-O 3.36Å; Q242-V253 VanDerWaalsContact N-O 3.13Å; Q242-V253 PolarHBondContact O-N 2.98Å |
| 254 | L | 75.5 | Confident | 76.6 | Confident | 149 Ų | 149 | 99.9 Ų | 99.9 | 78% | 0.78 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 129.2 | 175.7 | -123.2 | 74.6 | 0 | 0 | 0 | 109.4 | ||
| 255 | G | 80.5 | Confident | 77.1 | Confident | 19 Ų | 19 | 99.2 Ų | 99.2 | 20% | 0.196 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 170.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T257 | G255-T257 PolarHBondContact O-N 2.99Š|
| 256 | P | 81.8 | Confident | 78 | Confident | 26 Ų | 26 | 100.1 Ų | 100.1 | 17% | 0.169 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 137.5 | 179.1 | 21.6 | -30.8 | 0 | 0 | 0 | 111.3 | Q260 K261 | P256-Q260 HydrophobicContact CB-CB 4.13Å; P256-K261 HydrophobicContact CB-CG 4.17Å; P256-K261 HydrophobicContact CG-CG 4.04Å; P256-K261 WeakPolarHBondContact O-CE 3.48Å |
| 257 | T | 83.4 | Confident | 78.5 | Confident | 62 Ų | 62 | 102.6 Ų | 102.6 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -65 | 159.9 | -178.5 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | G255 V259 Q260 K261 | G255-T257 PolarHBondContact O-N 2.99Å; T257-V259 PolarHBondContact O-N 3.41Å; T257-V259 VanDerWaalsContact O-N 3.16Å; T257-Q260 WeakPolarHBondContact O-CA 3.47Å; T257-Q260 WeakPolarHBondContact O-CB 3.34Å; T257-Q260 PolarHBondContact O-N 2.75Å; T257-Q260 VanDerWaalsContact OG1-CG 3.3Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.34Å; T257-Q260 PolarHBondContact OG1-N 3.2Å; T257-Q260 PolarHBondContact OG1-OE1 3.34Å; T257-K261 PolarHBondContact O-N 2.92Å |
| 258 | P | 79.4 | Confident | 79.2 | Confident | 112 Ų | 112 | 102.8 Ų | 102.8 | 73% | 0.727 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -54 | -38 | -179.8 | -27.6 | 35.5 | 0 | 0 | 0 | 113.6 | K261 Q262 | P258-K261 PolarHBondContact O-N 3.15Å; P258-Q262 PolarHBondContact O-N 3.48Å |
| 259 | V | 83.8 | Confident | 80.1 | Confident | 89 Ų | 89 | 99.1 Ų | 99.1 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | T257 Q262 Q263 | T257-V259 PolarHBondContact O-N 3.41Å; T257-V259 VanDerWaalsContact O-N 3.16Å; V259-Q262 PolarHBondContact O-N 3.08Å; V259-Q263 WeakPolarHBondContact O-CG 3.45Å; V259-Q263 PolarHBondContact O-N 2.6Å |
| 260 | Q | 79.9 | Confident | 80.6 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 176.3 | -73 | 171 | -13.7 | 0 | 0 | 111.9 | P256 T257 Q263 M264 | P256-Q260 HydrophobicContact CB-CB 4.13Å; T257-Q260 WeakPolarHBondContact O-CA 3.47Å; T257-Q260 WeakPolarHBondContact O-CB 3.34Å; T257-Q260 PolarHBondContact O-N 2.75Å; T257-Q260 VanDerWaalsContact OG1-CG 3.3Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.34Å; T257-Q260 PolarHBondContact OG1-N 3.2Å; T257-Q260 PolarHBondContact OG1-OE1 3.34Å; Q260-Q263 PolarHBondContact O-N 3.12Å; Q260-M264 WeakPolarHBondContact O-CB 3.33Å; Q260-M264 PolarHBondContact O-N 2.87Å |
| 261 | K | 83.6 | Confident | 80.9 | Confident | 122 Ų | 122 | 104.6 Ų | 104.6 | 53% | 0.53 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 173.7 | -72.8 | -173.7 | 177 | -175.4 | 0 | 111.7 | P256 T257 P258 M264 E265 | P256-K261 HydrophobicContact CB-CG 4.17Å; P256-K261 HydrophobicContact CG-CG 4.04Å; P256-K261 WeakPolarHBondContact O-CE 3.48Å; T257-K261 PolarHBondContact O-N 2.92Å; P258-K261 PolarHBondContact O-N 3.15Å; K261-M264 PolarHBondContact O-N 3.38Å; K261-E265 PolarHBondContact O-N 3.21Å |
| 262 | Q | 79.9 | Confident | 81 | Confident | 145 Ų | 145 | 102.5 Ų | 102.5 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -40.6 | 178.1 | -167.9 | 179.7 | 26.8 | 0 | 0 | 112.3 | P258 V259 E265 K266 | P258-Q262 PolarHBondContact O-N 3.48Å; V259-Q262 PolarHBondContact O-N 3.08Å; Q262-E265 PolarHBondContact O-N 3.02Å; Q262-K266 WeakPolarHBondContact O-CB 3.3Å; Q262-K266 PolarHBondContact O-N 3.3Å |
| 263 | Q | 84.4 | Confident | 80.6 | Confident | 126 Ų | 126 | 102.8 Ų | 102.8 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 176 | -72.4 | 178.8 | 10.2 | 0 | 0 | 112.3 | V259 Q260 K266 K267 | V259-Q263 WeakPolarHBondContact O-CG 3.45Å; V259-Q263 PolarHBondContact O-N 2.6Å; Q260-Q263 PolarHBondContact O-N 3.12Å; Q263-K266 PolarHBondContact O-N 3.05Å; Q263-K267 WeakPolarHBondContact O-CB 3.46Å; Q263-K267 PolarHBondContact O-N 3.46Å |
| 264 | M | 82.5 | Confident | 80 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 44% | 0.443 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 176.9 | -170.2 | -175.7 | -63.5 | 0 | 0 | 111.5 | Q238 Q260 K261 K267 R268 | Q238-M264 PolarHBondContact NE2-SD 3.41Å; Q260-M264 WeakPolarHBondContact O-CB 3.33Å; Q260-M264 PolarHBondContact O-N 2.87Å; K261-M264 PolarHBondContact O-N 3.38Å; M264-K267 PolarHBondContact O-N 3.27Å; M264-R268 WeakPolarHBondContact O-CB 3.41Å; M264-R268 PolarHBondContact O-N 2.64Å |
| 265 | E | 83.6 | Confident | 79.5 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 33% | 0.332 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 176.7 | -176.8 | 55.6 | -151.5 | 0 | 0 | 111.8 | K261 Q262 K267 R268 Q269 | K261-E265 PolarHBondContact O-N 3.21Å; Q262-E265 PolarHBondContact O-N 3.02Å; E265-K267 VanDerWaalsContact C-N 3.33Å; E265-K267 PolarHBondContact O-N 3.18Å; E265-R268 PolarHBondContact O-N 3.5Å; E265-R268 IonicContact OE1-CZ 3.03Å; E265-R268 IonicContact OE1-NE 3.61Å; E265-R268 PolarHBondContact OE1-NE 2.96Å; E265-R268 IonicContact OE1-NH2 2.75Å; E265-R268 PolarHBondContact OE1-NH2 3.09Å; E265-R268 IonicContact OE2-CZ 3.49Å; E265-R268 IonicContact OE2-NE 2.72Å; E265-R268 PolarHBondContact OE2-NE 3.36Å; E265-R268 IonicContact OE2-NH2 2.89Å; E265-Q269 WeakPolarHBondContact O-CG 3.39Å; E265-Q269 PolarHBondContact O-N 3.04Å; E265-Q269 PolarHBondContact OE1-NE2 2.82Å |
| 266 | K | 84.4 | Confident | 78.6 | Confident | 156 Ų | 156 | 103.8 Ų | 103.8 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 173.8 | -171.8 | 176.4 | -179.2 | 177.7 | 0 | 111.6 | Q262 Q263 Q269 Q270 | Q262-K266 WeakPolarHBondContact O-CB 3.3Å; Q262-K266 PolarHBondContact O-N 3.3Å; Q263-K266 PolarHBondContact O-N 3.05Å; K266-Q269 PolarHBondContact O-N 3.32Å; K266-Q270 PolarHBondContact O-N 3.07Å; K266-Q270 VanDerWaalsContact O-N 3.08Å |
| 267 | K | 85.6 | Confident | 77.4 | Confident | 129 Ų | 129 | 109.6 Ų | 109.6 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 176.3 | -170.4 | 179.1 | 177.8 | -176.4 | 0 | 111.8 | Q263 M264 E265 Q269 Q270 E271 | Q263-K267 WeakPolarHBondContact O-CB 3.46Å; Q263-K267 PolarHBondContact O-N 3.46Å; M264-K267 PolarHBondContact O-N 3.27Å; E265-K267 VanDerWaalsContact C-N 3.33Å; E265-K267 PolarHBondContact O-N 3.18Å; K267-Q269 PolarHBondContact O-N 3.48Å; K267-Q270 WeakPolarHBondContact O-CB 3.49Å; K267-Q270 PolarHBondContact O-N 3.18Å; K267-E271 WeakPolarHBondContact CE-OE1 3.38Å; K267-E271 PolarHBondContact O-N 3.05Å |
| 268 | R | 84.8 | Confident | 76 | Confident | 127 Ų | 127 | 112.2 Ų | 112.2 | 48% | 0.479 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.8 | -42 | 176.4 | -167 | -171.8 | 74.4 | 91.2 | 5.8 | 111.8 | M264 E265 Q270 E271 L272 | M264-R268 WeakPolarHBondContact O-CB 3.41Å; M264-R268 PolarHBondContact O-N 2.64Å; E265-R268 PolarHBondContact O-N 3.5Å; E265-R268 IonicContact OE1-CZ 3.03Å; E265-R268 IonicContact OE1-NE 3.61Å; E265-R268 PolarHBondContact OE1-NE 2.96Å; E265-R268 IonicContact OE1-NH2 2.75Å; E265-R268 PolarHBondContact OE1-NH2 3.09Å; E265-R268 IonicContact OE2-CZ 3.49Å; E265-R268 IonicContact OE2-NE 2.72Å; E265-R268 PolarHBondContact OE2-NE 3.36Å; E265-R268 IonicContact OE2-NH2 2.89Å; R268-Q270 VanDerWaalsContact C-N 3.33Å; R268-E271 PolarHBondContact O-N 2.77Å; R268-L272 HydrophobicContact CG-CD1 4.36Å; R268-L272 WeakPolarHBondContact O-CD1 3.39Å; R268-L272 PolarHBondContact O-N 2.91Å |
| 269 | Q | 79.6 | Confident | 74.7 | Confident | 104 Ų | 104 | 117.5 Ų | 117.5 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -37 | 176.1 | -72.3 | 175.1 | 19 | 0 | 0 | 112.1 | E265 K266 K267 L272 Q273 | E265-Q269 WeakPolarHBondContact O-CG 3.39Å; E265-Q269 PolarHBondContact O-N 3.04Å; E265-Q269 PolarHBondContact OE1-NE2 2.82Å; K266-Q269 PolarHBondContact O-N 3.32Å; K267-Q269 PolarHBondContact O-N 3.48Å; Q269-L272 PolarHBondContact O-N 3.46Å; Q269-Q273 PolarHBondContact O-N 3.23Å |
| 270 | Q | 78.1 | Confident | 73.3 | Confident | 125 Ų | 125 | 121.3 Ų | 121.3 | 58% | 0.584 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.2 | -42.8 | 175.7 | -168.5 | 172.2 | 10.4 | 0 | 0 | 112 | K266 K267 R268 L272 Q273 E274 | K266-Q270 PolarHBondContact O-N 3.07Å; K266-Q270 VanDerWaalsContact O-N 3.08Å; K267-Q270 WeakPolarHBondContact O-CB 3.49Å; K267-Q270 PolarHBondContact O-N 3.18Å; R268-Q270 VanDerWaalsContact C-N 3.33Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 2.97Å; Q270-Q273 PolarHBondContact O-N 2.81Å; Q270-E274 PolarHBondContact O-N 3.31Å |
| 271 | E | 77.6 | Confident | 71.8 | Confident | 108 Ų | 108 | 121.7 Ų | 121.7 | 51% | 0.505 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.9 | -33.1 | 175.4 | -74.1 | 172 | -176.8 | 0 | 0 | 112.3 | K267 R268 A275 | K267-E271 WeakPolarHBondContact CE-OE1 3.38Å; K267-E271 PolarHBondContact O-N 3.05Å; R268-E271 PolarHBondContact O-N 2.77Å; E271-A275 WeakPolarHBondContact O-CB 3.44Å; E271-A275 PolarHBondContact O-N 3.31Å |
| 272 | L | 75.3 | Confident | 69.6 | Low | 89 Ų | 89 | 123 Ų | 123 | 47% | 0.466 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.6 | -38.5 | 173.8 | -92.1 | 149 | 0 | 0 | 0 | 112.9 | R268 Q269 Q270 T276 | R268-L272 HydrophobicContact CG-CD1 4.36Å; R268-L272 WeakPolarHBondContact O-CD1 3.39Å; R268-L272 PolarHBondContact O-N 2.91Å; Q269-L272 PolarHBondContact O-N 3.46Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 2.97Å; L272-T276 PolarHBondContact O-N 3.32Å; L272-T276 PolarHBondContact O-OG1 3.45Å |
| 273 | Q | 67.7 | Low | 67.7 | Low | 145 Ų | 145 | 119.6 Ų | 119.6 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -45.7 | 173.3 | -91.3 | 175.3 | -6.6 | 0 | 0 | 111.3 | Q269 Q270 A275 T276 E277 | Q269-Q273 PolarHBondContact O-N 3.23Å; Q270-Q273 PolarHBondContact O-N 2.81Å; Q273-A275 VanDerWaalsContact C-N 3.29Å; Q273-A275 PolarHBondContact O-N 2.71Å; Q273-T276 PolarHBondContact O-N 2.93Å; Q273-T276 VanDerWaalsContact O-N 3.07Å; Q273-E277 PolarHBondContact O-N 3.48Å |
| 274 | E | 68.3 | Low | 65.8 | Low | 102 Ų | 102 | 119.1 Ų | 119.1 | 48% | 0.477 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.5 | -32.4 | 179.3 | -161.2 | 176.2 | 176.9 | 0 | 0 | 112.2 | Q270 T276 L278 | Q270-E274 PolarHBondContact O-N 3.31Å; E274-T276 VanDerWaalsContact C-N 3.33Å; E274-L278 WeakPolarHBondContact O-CG 3.5Å |
| 275 | A | 66.1 | Low | 63.4 | Low | 60 Ų | 60 | 122.1 Ų | 122.1 | 50% | 0.496 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.6 | -24.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E271 Q273 | E271-A275 WeakPolarHBondContact O-CB 3.44Å; E271-A275 PolarHBondContact O-N 3.31Å; Q273-A275 VanDerWaalsContact C-N 3.29Å; Q273-A275 PolarHBondContact O-N 2.71Å |
| 276 | T | 60.4 | Low | 61.4 | Low | 90 Ų | 90 | 124.7 Ų | 124.7 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -82.1 | -39.6 | -178.9 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | L272 Q273 E274 L278 R279 | L272-T276 PolarHBondContact O-N 3.32Å; L272-T276 PolarHBondContact O-OG1 3.45Å; Q273-T276 PolarHBondContact O-N 2.93Å; Q273-T276 VanDerWaalsContact O-N 3.07Å; E274-T276 VanDerWaalsContact C-N 3.33Å; T276-L278 VanDerWaalsContact C-N 3.28Å; T276-L278 PolarHBondContact O-N 2.97Å; T276-R279 PolarHBondContact O-N 2.71Å |
| 277 | E | 57 | Low | 58.7 | Low | 148 Ų | 148 | 123.9 Ų | 123.9 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.9 | -27.5 | 176.7 | -70.4 | -171.9 | 155 | 0 | 0 | 113.2 | Q273 R279 | Q273-E277 PolarHBondContact O-N 3.48Å; E277-R279 VanDerWaalsContact C-N 3.26Å; E277-R279 PolarHBondContact O-N 2.98Å |
| 278 | L | 53.6 | Low | 56.9 | Low | 116 Ų | 116 | 123 Ų | 123 | 61% | 0.607 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -7.8 | 178 | -70.1 | 170.9 | 0 | 0 | 0 | 114.3 | E274 T276 | E274-L278 WeakPolarHBondContact O-CG 3.5Å; T276-L278 VanDerWaalsContact C-N 3.28Å; T276-L278 PolarHBondContact O-N 2.97Å |
| 279 | R | 53.2 | Low | 54.2 | Low | 224 Ų | 224 | 123.9 Ų | 123.9 | 85% | 0.845 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -14.5 | 178.4 | -94.3 | -157.5 | 169.7 | -159.3 | -0.8 | 115 | T276 E277 T281 | T276-R279 PolarHBondContact O-N 2.71Å; E277-R279 VanDerWaalsContact C-N 3.26Å; E277-R279 PolarHBondContact O-N 2.98Å; R279-T281 PolarHBondContact O-N 2.93Å |
| 280 | E | 53.5 | Low | 51.8 | Low | 169 Ų | 169 | 126.5 Ų | 126.5 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -86.8 | 1 | -174.3 | -66.9 | -167.3 | 139.9 | 0 | 0 | 114.8 | ||
| 281 | T | 47.9 | Very low | 49.6 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | -106.1 | 56.8 | -178.3 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | R279 | R279-T281 PolarHBondContact O-N 2.93Š| ||
| 282 | N | 39 | Very low | 47.2 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | trans | -147.6 | 79.9 | 166.1 | -82.2 | -70.8 | 0 | 0 | 0 | 113.6 | ||||
| 283 | G | 38.4 | Very low | 45.6 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | 54.9 | 170.8 | 152.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 284 | P | 45.1 | Very low | 43.7 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | cis | -140.6 | 157.3 | 13.5 | 37.5 | -16.2 | 0 | 0 | 0 | 118.7 | ||||
| 285 | I | 32.9 | Very low | 41.9 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | 49.7 | 128 | 139.8 | -53.5 | 164.5 | 0 | 0 | 0 | 121.2 | ||||
| 286 | P | 41.3 | Very low | 40.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | -103.8 | 148.7 | 162.1 | 36.7 | -26.3 | 0 | 0 | 0 | 113.6 | ||||
| 287 | T | 27.5 | Very low | 39.2 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -126 | 150.4 | 162.5 | 15.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 288 | P | 47.9 | Very low | 37.8 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -113.2 | 160.1 | -160.4 | 40 | -29 | 0 | 0 | 0 | 114.5 | ||||
| 289 | T | 27.5 | Very low | 36.7 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | 178.7 | 153.8 | 159.3 | 8.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 290 | L | 30.2 | Very low | 35.4 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | cis | -176.4 | 137 | -39.6 | 167 | 63.4 | 0 | 0 | 0 | 104.9 | ||||
| 291 | A | 30.6 | Very low | 34.3 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 78.7 | 119.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 292 | E | 28.2 | Very low | 33.4 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | -59.7 | -179 | 151.4 | -115.8 | -163.4 | 111.5 | 0 | 0 | 113.2 | ||||
| 293 | P | 42.1 | Very low | 33.1 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | -152.4 | 159.8 | 38.9 | 34.6 | -9 | 0 | 0 | 0 | 121.4 | ||||
| 294 | Q | 26.3 | Very low | 32.8 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | 76.8 | 142.6 | 134.9 | -70.4 | -179.2 | 4.3 | 0 | 0 | 125.7 | ||||
| 295 | T | 30.2 | Very low | 32.8 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -82.9 | -170.6 | -176.3 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 296 | P | 43.4 | Very low | 32.8 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 59% | 0.591 | 78% | 0.776 | S | S | * | * | cis | -159.7 | -179.4 | 47 | 30.1 | 0.9 | 0 | 0 | 0 | 120.7 | ||||
| 297 | H | 28.2 | Very low | 32.3 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | 79.4 | 155 | 156 | -50.4 | -57.8 | 0 | 0 | 0 | 120.6 | ||||
| 298 | S | 27.6 | Very low | 32.7 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | cis | 178.2 | 159.1 | -29.6 | -86.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 299 | N | 29.6 | Very low | 32.1 | Very low | 167 Ų | 167 | 124.7 Ų | 124.7 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | 105.7 | 107.2 | 158.7 | -64 | -9.4 | 0 | 0 | 0 | 120.4 | ||||
| 300 | G | 26.9 | Very low | 32.5 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | 93.7 | 104.9 | 88.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 301 | S | 29.1 | Very low | 32.7 | Very low | 127 Ų | 127 | 133 Ų | 133 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 76.7 | 122.4 | 142.3 | -65.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 302 | S | 28.9 | Very low | 33 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 154.8 | 128.4 | 103.5 | -166.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 303 | S | 32.3 | Very low | 33.5 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 48.2 | 118.6 | 141.9 | 64.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 304 | N | 33.9 | Very low | 33.4 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -66.7 | 162.3 | 152.5 | -87.6 | -13.6 | 0 | 0 | 0 | 112.1 | ||||
| 305 | P | 43.6 | Very low | 34.6 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | -149 | 153.9 | 58 | 37 | -14.2 | 0 | 0 | 0 | 120.8 | |||||
| 306 | A | 32.4 | Very low | 35.1 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | 43 | 123.1 | 141.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 307 | T | 31.6 | Very low | 34.8 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | -171.5 | 133.3 | 117.4 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 308 | A | 35.6 | Very low | 35.8 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | 66.4 | 134.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 309 | P | 36.5 | Very low | 36.9 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -93.4 | 118.7 | 176.3 | 35.2 | -27.3 | 0 | 0 | 0 | 111.7 | ||||
| 310 | R | 35.4 | Very low | 37.1 | Very low | 224 Ų | 224 | 139.7 Ų | 139.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -109.8 | 109.2 | 157.5 | -79.1 | -164.1 | 171.5 | -175.9 | -0.7 | 108.7 | H312 | R310-H312 PolarHBondContact O-N 2.79Š| ||
| 311 | R | 33.9 | Very low | 38.1 | Very low | 254 Ų | 254 | 144 Ų | 144 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -71.9 | 108.5 | 172.5 | -74.4 | -175.7 | 177.5 | -177.4 | -0.5 | 109 | ||||
| 312 | H | 37.1 | Very low | 39.1 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -87.1 | 120.3 | 164.2 | -77.6 | -86.4 | 0 | 0 | 0 | 109.7 | R310 | R310-H312 PolarHBondContact O-N 2.79Š| ||
| 313 | R | 38.5 | Very low | 39.9 | Very low | 230 Ų | 230 | 148.2 Ų | 148.2 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | 22.8 | 117.8 | 140.2 | -167.1 | -179.4 | -123.7 | 173.7 | -0.4 | 118.6 | ||||
| 314 | P | 41.2 | Very low | 40.2 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 158.8 | 161.2 | 32 | -29.2 | 0 | 0 | 0 | 112.3 | ||
| 315 | P | 51.1 | Low | 40.9 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 161.4 | -177.8 | 31.5 | -34.6 | 0 | 0 | 0 | 112.7 | ||
| 316 | P | 40.2 | Very low | 41.2 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 130.3 | -178.9 | 29.8 | -31.8 | 0 | 0 | 0 | 111.2 | ||
| 317 | L | 36.8 | Very low | 41.7 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 130.7 | 173.4 | -68.9 | 166.9 | 0 | 0 | 0 | 110.1 | ||
| 318 | T | 49.7 | Very low | 42.2 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 143.3 | 164.8 | 44.5 | 0 | 0 | 0 | 0 | 110.7 | D320 | T318-D320 PolarHBondContact O-N 3.26Š|
| 319 | P | 49.8 | Very low | 42.4 | Very low | 129 Ų | 129 | 150.9 Ų | 150.9 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 122.7 | 179.9 | 30.6 | -30.4 | 0 | 0 | 0 | 110.8 | ||
| 320 | D | 34.9 | Very low | 42.8 | Very low | 141 Ų | 141 | 155.2 Ų | 155.2 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 138.2 | 173.4 | -166.9 | 11 | 0 | 0 | 0 | 110.5 | T318 Q322 | T318-D320 PolarHBondContact O-N 3.26Å; D320-Q322 PolarHBondContact O-N 3.19Å |
| 321 | L | 47.6 | Very low | 43.2 | Very low | 166 Ų | 166 | 156 Ų | 156 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -93.5 | 35.3 | -166.3 | -93.2 | 172 | 0 | 0 | 0 | 113.5 | ||
| 322 | Q | 51 | Low | 43.8 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -140.9 | 65.6 | -173.9 | -85.5 | 168.4 | -15.6 | 0 | 0 | 113.2 | D320 | D320-Q322 PolarHBondContact O-N 3.19Š| ||
| 323 | N | 43.8 | Very low | 44.1 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -164.3 | 85.3 | 151.6 | -160.8 | 19.3 | 0 | 0 | 0 | 112.3 | ||||
| 324 | V | 40.5 | Very low | 44.7 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | -129.6 | 80.8 | 173.8 | -158.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 325 | N | 47.3 | Very low | 45.3 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -133 | 120.6 | 161.9 | -159.9 | 11.5 | 0 | 0 | 0 | 108.5 | ||||
| 326 | N | 49.6 | Very low | 45.1 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 84.9 | 75 | -172.6 | -57 | -62.7 | 0 | 0 | 0 | 117 | ||
| 327 | S | 43.4 | Very low | 45.7 | Very low | 80 Ų | 80 | 146.8 Ų | 146.8 | 56% | 0.559 | 78% | 0.778 | S | S | * | * | trans | -158.9 | 127.2 | 135 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | Q329 | S327-Q329 PolarHBondContact O-N 3.26Š| ||
| 328 | A | 42 | Very low | 47.1 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -73.9 | 80.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109 | R330 | A328-R330 PolarHBondContact O-N 3.49Š| ||
| 329 | Q | 40.1 | Very low | 47.4 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -70.1 | 116.8 | 165.6 | -75.7 | 169.1 | -21.8 | 0 | 0 | 108.4 | S327 R331 | S327-Q329 PolarHBondContact O-N 3.26Å; Q329-R331 PolarHBondContact O-N 3Å | ||
| 330 | R | 43.8 | Very low | 48 | Very low | 216 Ų | 216 | 147.4 Ų | 147.4 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | -50.1 | 111.2 | 167.1 | -68.2 | -178.5 | 172.8 | -159.2 | 3.5 | 108.2 | A328 T332 | A328-R330 PolarHBondContact O-N 3.49Å; R330-T332 PolarHBondContact O-N 3.27Å; R330-T332 VanDerWaalsContact O-N 3.09Å | ||
| 331 | R | 45.5 | Very low | 49 | Very low | 242 Ų | 242 | 145.9 Ų | 145.9 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | trans | -66 | 108.8 | 167.2 | -65.1 | 179.6 | 85 | 172.6 | 5.4 | 106.6 | Q329 A333 | Q329-R331 PolarHBondContact O-N 3Å; R331-A333 PolarHBondContact O-N 3.33Å | ||
| 332 | T | 45.7 | Very low | 49.3 | Very low | 131 Ų | 131 | 143 Ų | 143 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -60 | 123.4 | 159.9 | 44.1 | 0 | 0 | 0 | 0 | 107.1 | R330 L334 | R330-T332 PolarHBondContact O-N 3.27Å; R330-T332 VanDerWaalsContact O-N 3.09Å; T332-L334 PolarHBondContact O-N 3.44Å | ||
| 333 | A | 44 | Very low | 49.3 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | -65 | 117.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | R331 L335 | R331-A333 PolarHBondContact O-N 3.33Å; A333-L335 VanDerWaalsContact C-N 3.27Å; A333-L335 PolarHBondContact O-N 3.05Å | ||
| 334 | L | 50.6 | Low | 49.6 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | trans | -69.2 | 93.1 | 169.8 | -161.5 | 131.3 | 0 | 0 | 0 | 106.3 | T332 D336 | T332-L334 PolarHBondContact O-N 3.44Å; L334-D336 PolarHBondContact O-N 2.89Å | ||
| 335 | L | 53.4 | Low | 50.3 | Low | 122 Ų | 122 | 139.7 Ų | 139.7 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | trans | -70.8 | 120.2 | 175.5 | -79.5 | 154 | 0 | 0 | 0 | 107.8 | A333 Y337 | A333-L335 VanDerWaalsContact C-N 3.27Å; A333-L335 PolarHBondContact O-N 3.05Å; L335-Y337 HydrophobicContact CB-CE2 4.49Å; L335-Y337 WeakPolarHBondContact O-CD2 3.32Å; L335-Y337 VanDerWaalsContact O-CE2 3.32Å; L335-Y337 WeakPolarHBondContact O-CE2 3.42Å; L335-Y337 PolarHBondContact O-N 2.9Å | ||
| 336 | D | 46.9 | Very low | 50.3 | Low | 120 Ų | 120 | 139.5 Ų | 139.5 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | trans | -72.6 | 110.5 | 175.6 | -165.3 | 3.2 | 0 | 0 | 0 | 108.7 | L334 E338 | L334-D336 PolarHBondContact O-N 2.89Å; D336-E338 VanDerWaalsContact C-N 3.29Å; D336-E338 PolarHBondContact O-N 3.06Å | ||
| 337 | Y | 52.2 | Low | 50 | Low | 183 Ų | 183 | 144 Ų | 144 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -82.2 | -2.2 | -171.9 | -75.2 | -85.6 | 0 | 0 | 0 | 113.7 | L335 N339 L340 | L335-Y337 HydrophobicContact CB-CE2 4.49Å; L335-Y337 WeakPolarHBondContact O-CD2 3.32Å; L335-Y337 VanDerWaalsContact O-CE2 3.32Å; L335-Y337 WeakPolarHBondContact O-CE2 3.42Å; L335-Y337 PolarHBondContact O-N 2.9Å; Y337-N339 VanDerWaalsContact C-N 3.32Å; Y337-N339 PolarHBondContact O-N 3.36Å; Y337-L340 HydrophobicContact CD1-CD1 4.29Å |
| 338 | E | 67 | Low | 50 | Low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -80 | -5.6 | -173 | -73.9 | -103.3 | 115.6 | 0 | 0 | 114.4 | D336 | D336-E338 VanDerWaalsContact C-N 3.29Å; D336-E338 PolarHBondContact O-N 3.06Å |
| 339 | N | 55.7 | Low | 49.6 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -131.1 | 26.9 | -174.5 | -82.4 | -74.8 | 0 | 0 | 0 | 115.4 | Y337 | Y337-N339 VanDerWaalsContact C-N 3.32Å; Y337-N339 PolarHBondContact O-N 3.36Å |
| 340 | L | 62.3 | Low | 49.3 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 67% | 0.665 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -90 | 132.4 | 173.1 | -67.3 | 172.6 | 0 | 0 | 0 | 110.9 | Y337 | Y337-L340 HydrophobicContact CD1-CD1 4.29Š|
| 341 | P | 56.3 | Low | 48.7 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 140.6 | 174.9 | 26 | -32.7 | 0 | 0 | 0 | 110.7 | L343 | P341-L343 PolarHBondContact O-N 3.13Å; P341-L343 VanDerWaalsContact O-N 3.12Å |
| 342 | A | 53.9 | Low | 48.1 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55 | 118.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 343 | L | 52.3 | Low | 47.3 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 145.5 | 173.6 | -65.2 | 174.3 | 0 | 0 | 0 | 109.9 | P341 | P341-L343 PolarHBondContact O-N 3.13Å; P341-L343 VanDerWaalsContact O-N 3.12Å |
| 344 | P | 49.3 | Very low | 46.8 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 151.1 | 179.6 | 25.3 | -32.8 | 0 | 0 | 0 | 111.5 | V346 | P344-V346 PolarHBondContact O-N 2.9Š|
| 345 | P | 55.5 | Low | 46.1 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 120.2 | -171.9 | -17.5 | 29.1 | 0 | 0 | 0 | 111.7 | W347 | P345-W347 PolarHBondContact O-N 2.76Š|
| 346 | V | 46.8 | Very low | 45.2 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70 | 124.9 | 168.8 | 176.5 | 0 | 0 | 0 | 0 | 108 | P344 E348 | P344-V346 PolarHBondContact O-N 2.9Å; V346-E348 PolarHBondContact O-N 2.99Å; V346-E348 VanDerWaalsContact O-N 3.1Å |
| 347 | W | 43.2 | Very low | 44.6 | Very low | 248 Ų | 248 | 152 Ų | 152 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | -71 | 102.5 | 176 | -64 | -4.2 | 0 | 0 | 0 | 109.7 | P345 A349 | P345-W347 PolarHBondContact O-N 2.76Å; W347-A349 PolarHBondContact O-N 3.38Å | ||
| 348 | E | 43.1 | Very low | 43.7 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -74.1 | 110.7 | 167.3 | -74.2 | -174.3 | 158.2 | 0 | 0 | 109.7 | V346 R350 | V346-E348 PolarHBondContact O-N 2.99Å; V346-E348 VanDerWaalsContact O-N 3.1Å; E348-R350 PolarHBondContact O-N 2.91Å | ||
| 349 | A | 33.8 | Very low | 41.9 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -70.5 | 93.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | W347 K351 | W347-A349 PolarHBondContact O-N 3.38Å; A349-K351 PolarHBondContact O-N 3.33Å | ||
| 350 | R | 33.8 | Very low | 40.9 | Very low | 241 Ų | 241 | 146.5 Ų | 146.5 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 113.9 | 171.1 | -161.6 | 173.8 | -170.2 | 158.9 | 1.9 | 109.2 | E348 | E348-R350 PolarHBondContact O-N 2.91Š| ||
| 351 | K | 31.7 | Very low | 39.4 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 81% | 0.809 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 130.4 | 168.1 | -72.7 | -178 | 175.4 | -178.5 | 0 | 109.6 | A349 | A349-K351 PolarHBondContact O-N 3.33Š|
| 352 | P | 33.2 | Very low | 38.3 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 123 | 163.2 | 30.3 | -28.1 | 0 | 0 | 0 | 109.4 | ||
| 353 | S | 28 | Very low | 37.1 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 119.8 | 170.4 | -50.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 354 | A | 34.4 | Very low | 36.3 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91 | 118.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 355 | E | 34.8 | Very low | 35.5 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | 49.6 | 118.1 | 126 | -52.8 | 177.7 | -161.3 | 0 | 0 | 121.6 | |||||
| 356 | E | 34.1 | Very low | 34.7 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | 179.9 | 133.2 | 141 | -100.5 | 169.4 | -177.6 | 0 | 0 | 105.1 | ||||
| 357 | E | 35.5 | Very low | 34.7 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | cis | -156.2 | 148.5 | 25.7 | -100.4 | -179.5 | 145.2 | 0 | 0 | 111.1 | ||||
| 358 | E | 33.5 | Very low | 34.2 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 41.4 | 117.4 | 134.2 | -157.9 | 172.4 | 136.7 | 0 | 0 | 122.1 | ||||
| 359 | S | 29.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | -179.8 | 121.6 | 117.9 | -79 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 360 | A | 34.6 | Very low | 33.7 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | 43.4 | 117.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 361 | D | 30.9 | Very low | 33.4 | Very low | 169 Ų | 169 | 136 Ų | 136 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | 164.5 | 143.6 | 102.7 | -170.1 | 27.7 | 0 | 0 | 0 | 112 | |||||
| 362 | G | 31.9 | Very low | 33.3 | Very low | 65 Ų | 65 | 137.9 Ų | 137.9 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | trans | 87.3 | 85.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 363 | G | 30.1 | Very low | 33.2 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | 81.4 | 124.7 | 114.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 364 | L | 35.5 | Very low | 33.3 | Very low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | 92.6 | 96.5 | 137 | -52.4 | 177.8 | 0 | 0 | 0 | 121.5 | ||||
| 365 | K | 32.3 | Very low | 33.1 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | 52.6 | 116 | 113.8 | -91.2 | -178.3 | 170 | 175.8 | 0 | 122.8 | |||||
| 366 | T | 37.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | 89 | 167.3 | 129.7 | 77.4 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 367 | P | 47.3 | Very low | 33 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | -137.3 | -177.4 | -100.3 | 35.5 | -10.4 | 0 | 0 | 0 | 115.9 | |||||
| 368 | S | 32 | Very low | 32.8 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 70.1 | 129.4 | 151.8 | -53.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 369 | L | 30.9 | Very low | 32.5 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | -156.4 | 132.9 | 123.9 | -159.5 | 64.3 | 0 | 0 | 0 | 112.6 | |||||
| 370 | N | 35.2 | Very low | 32.8 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -81 | 154.9 | -175.7 | -110.2 | 4 | 0 | 0 | 0 | 114.1 | ||||
| 371 | G | 29.5 | Very low | 32.8 | Very low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | 105.9 | 116.6 | 121.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 372 | Y | 28.9 | Very low | 33 | Very low | 224 Ų | 224 | 137.6 Ų | 137.6 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | -177.5 | 143.8 | 91.4 | -117.4 | -96.2 | 0 | 0 | 0 | 112.7 | |||||
| 373 | N | 30.2 | Very low | 32.9 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -74.7 | 157.8 | 173.9 | -82.8 | -65.7 | 0 | 0 | 0 | 112.2 | ||||
| 374 | H | 31.4 | Very low | 32.7 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | -158.7 | 131.7 | 122.4 | -90.1 | -57.7 | 0 | 0 | 0 | 112.6 | |||||
| 375 | H | 29.1 | Very low | 32.5 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -73.8 | 157.7 | 174.1 | -110.2 | -88.3 | 0 | 0 | 0 | 113.1 | ||||
| 376 | T | 31.9 | Very low | 32.3 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 149.2 | 144.9 | 130.5 | 40.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 377 | T | 34.7 | Very low | 32.1 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 61% | 0.607 | 77% | 0.771 | S | S | * | * | cis | 172.7 | 140.3 | -31.6 | 26.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 378 | H | 31.9 | Very low | 32.2 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | 73.5 | 144.4 | 153.9 | -82.3 | -104.6 | 0 | 0 | 0 | 119.1 | ||||
| 379 | S | 27.9 | Very low | 32.2 | Very low | 90 Ų | 90 | 147.4 Ų | 147.4 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | -165.6 | 140.4 | 28.3 | -154.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 380 | L | 34.9 | Very low | 32.2 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 45.7 | 122.3 | 136.2 | -63.1 | 174.5 | 0 | 0 | 0 | 122.3 | ||||
| 381 | L | 35.8 | Very low | 32 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | 79.4 | 112.7 | 72.8 | -86.8 | -172.6 | 0 | 0 | 0 | 117 | |||||
| 382 | Q | 33.6 | Very low | 32.1 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -170.3 | 103 | 143.4 | -137.3 | 117.5 | 18.8 | 0 | 0 | 110.8 | ||||
| 383 | H | 29.6 | Very low | 32.2 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | 73.6 | 106.1 | 100.9 | -84.9 | -54.1 | 0 | 0 | 0 | 120 | |||||
| 384 | S | 27.1 | Very low | 32.3 | Very low | 84 Ų | 84 | 141.5 Ų | 141.5 | 59% | 0.587 | 76% | 0.761 | S | S | * | * | 100.3 | 130.2 | 118.1 | -47.5 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 385 | Y | 30.5 | Very low | 32.3 | Very low | 227 Ų | 227 | 141 Ų | 141 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | 67.6 | 131.3 | 162.3 | -64.8 | -80.9 | 0 | 0 | 0 | 117.4 | ||||
| 386 | S | 29.3 | Very low | 32.6 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | -168.6 | 148.5 | 35.3 | 39.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 387 | H | 32.2 | Very low | 32.7 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -84.8 | -176.8 | 171.4 | -84.3 | -62.4 | 0 | 0 | 0 | 112.7 | ||||
| 388 | P | 50.8 | Low | 32.7 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | cis | -136.6 | -176.6 | -31.8 | 30 | -7.6 | 0 | 0 | 0 | 114.4 | ||||
| 389 | L | 30.3 | Very low | 32.7 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | 124.5 | 112.2 | 146.3 | -64.9 | 178.9 | 0 | 0 | 0 | 118.6 | ||||
| 390 | S | 32 | Very low | 33 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | 32.6 | 137.3 | 133.8 | -51.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 391 | A | 30.8 | Very low | 32.9 | Very low | 90 Ų | 90 | 146 Ų | 146 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | 124.9 | 115.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 392 | V | 30.4 | Very low | 33.2 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | 105.2 | 118.4 | 82.6 | 163.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 393 | L | 33 | Very low | 33.7 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 53.1 | 143.3 | 148.1 | -110.6 | 69.1 | 0 | 0 | 0 | 124.6 | ||||
| 394 | E | 30.3 | Very low | 34 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | 85.1 | 114.2 | 147.4 | -92.4 | -144.8 | 141.8 | 0 | 0 | 120.6 | ||||
| 395 | H | 32.3 | Very low | 34.5 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -130.4 | 106.3 | 144.1 | -99.4 | 55.9 | 0 | 0 | 0 | 108.5 | H397 | H395-H397 AromaticContact CD2-NE2 3.73Š| ||
| 396 | S | 35.1 | Very low | 34.6 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 57% | 0.566 | 78% | 0.781 | S | S | * | * | trans | -80.9 | 129.6 | 168.5 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 397 | H | 35.1 | Very low | 34.8 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -134.4 | 105.1 | 166.5 | -76.6 | -61.7 | 0 | 0 | 0 | 111.2 | H395 | H395-H397 AromaticContact CD2-NE2 3.73Š| ||
| 398 | N | 33.8 | Very low | 35.1 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -79.2 | 142.2 | 148.9 | -79.5 | -77.8 | 0 | 0 | 0 | 108.6 | ||||
| 399 | Y | 32.1 | Very low | 34.1 | Very low | 216 Ų | 216 | 141.4 Ų | 141.4 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | 171.7 | 111.2 | 140.7 | -112.1 | -100.4 | 0 | 0 | 0 | 108.1 | ||||
| 400 | V | 33.5 | Very low | 34.2 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | 63.7 | 111.2 | 93.7 | 172.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 401 | N | 33.1 | Very low | 34.2 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -67.3 | 132.4 | 171.1 | -70.8 | -32.4 | 0 | 0 | 0 | 111.2 | ||||
| 402 | T | 41.6 | Very low | 34.1 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -127 | 119.8 | 157.3 | 17.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 403 | E | 45.7 | Very low | 34.2 | Very low | 180 Ų | 180 | 147 Ų | 147 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -80.1 | 133.2 | 179.9 | 59.2 | -162.1 | 148.4 | 0 | 0 | 110.9 | ||||
| 404 | N | 35.3 | Very low | 35.1 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -97.8 | 105.3 | -179.3 | -58.4 | -7.8 | 0 | 0 | 0 | 108.5 | ||||
| 405 | V | 36.6 | Very low | 35.1 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | -109.5 | 107.3 | 166.3 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 406 | T | 33.3 | Very low | 35 | Very low | 136 Ų | 136 | 142 Ų | 142 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -72.8 | 123.4 | 170.4 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 407 | A | 33.8 | Very low | 34.9 | Very low | 84 Ų | 84 | 142.8 Ų | 142.8 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | -120.8 | 141.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 408 | P | 37.3 | Very low | 34.8 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -85.1 | 151.2 | -175.2 | 33.7 | -32.4 | 0 | 0 | 0 | 113.1 | ||||
| 409 | L | 31.6 | Very low | 34.9 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -77.3 | 136.6 | 178 | -69.1 | 158.3 | 0 | 0 | 0 | 112.1 | ||||
| 410 | S | 31.4 | Very low | 35.2 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | 158.1 | 135.3 | 115.5 | -168 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 411 | A | 31.2 | Very low | 35.3 | Very low | 90 Ų | 90 | 148.7 Ų | 148.7 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | 130.1 | 103.2 | 135.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 412 | H | 29.9 | Very low | 35.3 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | 47.3 | 115.6 | 131.9 | -109.6 | -87.4 | 0 | 0 | 0 | 123.4 | ||||
| 413 | R | 32.9 | Very low | 35.3 | Very low | 225 Ų | 225 | 145.6 Ų | 145.6 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | 78.8 | 151.3 | 142.5 | -88.1 | -161.2 | -178 | -169.2 | 3.3 | 122.4 | ||||
| 414 | P | 51.5 | Low | 35.1 | Very low | 109 Ų | 109 | 143 Ų | 143 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -102 | 148.8 | -165.3 | 39.3 | -30.7 | 0 | 0 | 0 | 112.8 | ||||
| 415 | D | 29.2 | Very low | 35.5 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -174.1 | 152.1 | 133.5 | -129.3 | -28.6 | 0 | 0 | 0 | 115 | ||||
| 416 | T | 31.5 | Very low | 36.3 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 39.8 | 117.9 | 151.6 | 60.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 417 | A | 31.7 | Very low | 36.5 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | 52.8 | 125.5 | 119 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 418 | R | 34.2 | Very low | 36.5 | Very low | 220 Ų | 220 | 146 Ų | 146 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | 106.4 | 130.4 | 129.4 | -135.1 | 178.8 | -170.2 | -156.9 | 2 | 118.2 | |||||
| 419 | R | 35.8 | Very low | 36.5 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | 93.7 | 115.9 | 165.2 | -52.1 | -163.7 | -166.9 | -105.9 | 8.6 | 115 | ||||
| 420 | R | 37.5 | Very low | 36.9 | Very low | 233 Ų | 233 | 145.7 Ų | 145.7 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | 58.7 | 123.3 | 62.3 | -63.9 | -87.2 | -176.6 | -161.4 | -3.1 | 109.7 | |||||
| 421 | T | 36.1 | Very low | 37.5 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | cis | -168.4 | 169.1 | 13.9 | -39.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 422 | D | 33.6 | Very low | 38.3 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | 128.4 | 100.6 | 143.4 | -61.5 | -38.6 | 0 | 0 | 0 | 117.2 | ||||
| 423 | G | 41.3 | Very low | 39.1 | Very low | 64 Ų | 64 | 157.8 Ų | 157.8 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 160.5 | 122.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T425 | G423-T425 PolarHBondContact O-N 3.48Š| ||
| 424 | P | 41.6 | Very low | 39.5 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -86.6 | 95.4 | -174.8 | 33.3 | -30.4 | 0 | 0 | 0 | 111.3 | I426 | P424-I426 PolarHBondContact O-N 2.85Š| ||
| 425 | T | 43.8 | Very low | 39.2 | Very low | 125 Ų | 125 | 153.1 Ų | 153.1 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | -81.9 | 103.6 | 161.4 | 37.1 | 0 | 0 | 0 | 0 | 109.4 | G423 | G423-T425 PolarHBondContact O-N 3.48Š| ||
| 426 | I | 53.1 | Low | 40.2 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -71 | 125.4 | 165.9 | -60.5 | 166.9 | 0 | 0 | 0 | 105.9 | P424 | P424-I426 PolarHBondContact O-N 2.85Š|
| 427 | F | 37.1 | Very low | 40.6 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 85.6 | 82 | -173.2 | -49.8 | -71.6 | 0 | 0 | 0 | 116.1 | ||||
| 428 | N | 33.5 | Very low | 41.5 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | trans | -118.4 | 119.7 | 153.2 | -156.1 | 35.2 | 0 | 0 | 0 | 109.1 | D430 | N428-D430 PolarHBondContact ND2-OD2 3Š| ||
| 429 | F | 38.8 | Very low | 41.8 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 74% | 0.737 | 78% | 0.782 | S | S | * | * | trans | -96.5 | 80.8 | 171.4 | -79.2 | -87 | 0 | 0 | 0 | 109 | F431 | F429-F431 PolarHBondContact O-N 3.07Å; F429-F431 VanDerWaalsContact O-N 3.17Å | ||
| 430 | D | 39.7 | Very low | 42.2 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -73.8 | 101.1 | 167.5 | -86.6 | -48.9 | 0 | 0 | 0 | 109.4 | N428 R432 | N428-D430 PolarHBondContact ND2-OD2 3Å; D430-R432 PolarHBondContact O-N 2.84Å; D430-R432 VanDerWaalsContact O-N 3.09Å | ||
| 431 | F | 44.4 | Very low | 42.6 | Very low | 195 Ų | 195 | 145.1 Ų | 145.1 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -64.7 | 108.6 | 164.6 | -73.6 | -83.1 | 0 | 0 | 0 | 108.7 | F429 R433 | F429-F431 PolarHBondContact O-N 3.07Å; F429-F431 VanDerWaalsContact O-N 3.17Å; F431-R433 PolarHBondContact O-N 2.94Å | ||
| 432 | R | 46.6 | Very low | 43.3 | Very low | 216 Ų | 216 | 145.2 Ų | 145.2 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57 | 120.3 | 176.8 | -71.4 | -129.7 | -172.9 | -171.2 | 2.6 | 110.9 | D430 | D430-R432 PolarHBondContact O-N 2.84Å; D430-R432 VanDerWaalsContact O-N 3.09Å |
| 433 | R | 46.7 | Very low | 44 | Very low | 226 Ų | 226 | 143.3 Ų | 143.3 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 138.9 | 160.6 | -173.5 | 177.8 | -68.6 | 175.4 | -1.5 | 109.7 | F431 | F431-R433 PolarHBondContact O-N 2.94Š|
| 434 | P | 42.9 | Very low | 44.5 | Very low | 111 Ų | 111 | 147 Ų | 147 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 142 | 175.9 | -18 | 29.8 | 0 | 0 | 0 | 110.9 | ||
| 435 | P | 43.7 | Very low | 45 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 138.4 | 177.7 | 28.5 | -29.5 | 0 | 0 | 0 | 111 | ||
| 436 | L | 50.2 | Low | 45.5 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 149.8 | 162.7 | -71.5 | 163.2 | 0 | 0 | 0 | 109.6 | G438 | L436-G438 PolarHBondContact O-N 3.2Š|
| 437 | P | 39.6 | Very low | 45.5 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 124.5 | -175.1 | 27 | -32.2 | 0 | 0 | 0 | 111.1 | ||
| 438 | G | 51.5 | Low | 46.5 | Very low | 82 Ų | 82 | 149.2 Ų | 149.2 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.6 | 1.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | L436 | L436-G438 PolarHBondContact O-N 3.2Š|
| 439 | H | 39.5 | Very low | 47.9 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | trans | -119.9 | 109.8 | -177.1 | -156.8 | -76 | 0 | 0 | 0 | 112.5 | ||||
| 440 | M | 45 | Very low | 48.3 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 122.5 | 169 | -69 | -167.4 | 70.7 | 0 | 0 | 109.6 | ||
| 441 | E | 45.9 | Very low | 48.8 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 57% | 0.57 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 134.4 | 168.9 | -162 | -172.9 | 170 | 0 | 0 | 108.2 | K444 | E441-K444 WeakPolarHBondContact OE1-CE 3.46Å; E441-K444 IonicContact OE1-NZ 3.06Å; E441-K444 PolarHBondContact OE1-NZ 3.49Å; E441-K444 IonicContact OE2-NZ 3.46Å |
| 442 | P | 50.8 | Low | 49.3 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 149.8 | 176.6 | 27 | -33 | 0 | 0 | 0 | 111 | K444 | P442-K444 PolarHBondContact O-N 3.4Š|
| 443 | P | 48.6 | Very low | 49.3 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 127.9 | -175.5 | 25.2 | -32.3 | 0 | 0 | 0 | 110.9 | T445 | P443-T445 PolarHBondContact O-N 3.47Š|
| 444 | K | 51.3 | Low | 49.2 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 62% | 0.617 | 78% | 0.776 | S | S | * | * | trans | -65.9 | 110.8 | 171.6 | -78 | 170.3 | 178.3 | 113.5 | 0 | 109 | E441 P442 L446 | E441-K444 WeakPolarHBondContact OE1-CE 3.46Å; E441-K444 IonicContact OE1-NZ 3.06Å; E441-K444 PolarHBondContact OE1-NZ 3.49Å; E441-K444 IonicContact OE2-NZ 3.46Å; P442-K444 PolarHBondContact O-N 3.4Å; K444-L446 PolarHBondContact O-N 3.46Å | ||
| 445 | T | 52.1 | Low | 49.2 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -62.3 | 114.1 | 168.1 | 34.2 | 0 | 0 | 0 | 0 | 109.5 | P443 | P443-T445 PolarHBondContact O-N 3.47Š| ||
| 446 | L | 54.7 | Low | 48.9 | Very low | 126 Ų | 126 | 142 Ų | 142 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -92.7 | 124.8 | 167 | -65.7 | 172.9 | 0 | 0 | 0 | 107.7 | K444 Y448 | K444-L446 PolarHBondContact O-N 3.46Å; L446-Y448 HydrophobicContact CB-CE2 4.19Å | ||
| 447 | N | 52 | Low | 48.1 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -86.5 | 113.9 | 175.1 | -64.5 | -39.8 | 0 | 0 | 0 | 108.6 | ||||
| 448 | Y | 58.4 | Low | 47.9 | Very low | 200 Ų | 200 | 135.9 Ų | 135.9 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -88.2 | 140.7 | 170.9 | -66.8 | -85.8 | 0 | 0 | 0 | 109.7 | L446 | L446-Y448 HydrophobicContact CB-CE2 4.19Š| ||
| 449 | I | 62.8 | Low | 47 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -91.6 | 109.5 | 166.6 | -61.4 | 168.6 | 0 | 0 | 0 | 106.2 | V451 | I449-V451 HydrophobicContact CG2-CG2 4.08Š| ||
| 450 | E | 48.4 | Very low | 46.9 | Very low | 185 Ų | 185 | 130.7 Ų | 130.7 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -86.4 | 115.3 | 169.2 | -171.4 | 168.9 | -162.3 | 0 | 0 | 107.7 | ||||
| 451 | V | 49.6 | Very low | 46.5 | Very low | 111 Ų | 111 | 131 Ų | 131 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | trans | -92.8 | 103.8 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 106.9 | I449 M453 | I449-V451 HydrophobicContact CG2-CG2 4.08Å; V451-M453 PolarHBondContact O-N 3.42Å | ||
| 452 | E | 54.3 | Low | 46.1 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -64.2 | 113.4 | 175.5 | -171.7 | 171.6 | -160.2 | 0 | 0 | 109.2 | ||||
| 453 | M | 46.2 | Very low | 45.2 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -99.4 | 105.3 | 166.4 | -69.2 | -169.4 | 176.2 | 0 | 0 | 107.1 | V451 S455 | V451-M453 PolarHBondContact O-N 3.42Å; M453-S455 PolarHBondContact O-N 2.98Å | ||
| 454 | D | 46.4 | Very low | 44.6 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -48.9 | 103.6 | 176.5 | -77 | -43.4 | 0 | 0 | 0 | 111.1 | G456 | D454-G456 PolarHBondContact O-N 3.16Å; D454-G456 VanDerWaalsContact O-N 3.09Å | ||
| 455 | S | 42.3 | Very low | 43.9 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -77.2 | 88.4 | 169.3 | 57 | 0 | 0 | 0 | 0 | 108.6 | M453 G457 | M453-S455 PolarHBondContact O-N 2.98Å; S455-G457 PolarHBondContact O-N 2.87Å | ||
| 456 | G | 37 | Very low | 43.1 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -68.6 | 95.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | D454 | D454-G456 PolarHBondContact O-N 3.16Å; D454-G456 VanDerWaalsContact O-N 3.09Å | ||
| 457 | G | 34.3 | Very low | 41.9 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -131.7 | 94.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S455 | S455-G457 PolarHBondContact O-N 2.87Š| ||
| 458 | G | 35.6 | Very low | 41.2 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | 41.7 | 119.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 459 | G | 32.6 | Very low | 40 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | 156.2 | 106 | 155.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 460 | G | 36.3 | Very low | 39.1 | Very low | 69 Ų | 69 | 124.6 Ų | 124.6 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -76.2 | 159.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 461 | H | 37.7 | Very low | 38.5 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | 177 | 114 | 130.3 | -99.8 | -82.2 | 0 | 0 | 0 | 110.9 | ||||
| 462 | K | 36.9 | Very low | 38 | Very low | 205 Ų | 205 | 124.4 Ų | 124.4 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | 43.5 | 113.2 | 131.6 | -152.2 | 178.4 | -174.3 | -175.3 | 0 | 120.2 | ||||
| 463 | G | 31.4 | Very low | 37.3 | Very low | 61 Ų | 61 | 121.7 Ų | 121.7 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | trans | 126.4 | 114.3 | 130.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 464 | T | 35.9 | Very low | 37.1 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 74.4 | 114.1 | 136.8 | 60.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 465 | S | 36.6 | Very low | 36.8 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | 50.4 | 142.1 | 133.9 | 56 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 466 | D | 35.7 | Very low | 36.7 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | cis | -167.9 | 153.1 | 12.9 | -110.6 | -27.3 | 0 | 0 | 0 | 106.5 | ||||
| 467 | G | 30.2 | Very low | 36.9 | Very low | 67 Ų | 67 | 127.5 Ų | 127.5 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | 154.1 | 69.8 | 166 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 468 | S | 35.9 | Very low | 37 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | 32.6 | 108.9 | 142.2 | 58.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 469 | N | 34.3 | Very low | 37.3 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -161 | 152.7 | 136.3 | -111.7 | -21.9 | 0 | 0 | 0 | 112.6 | ||||
| 470 | P | 42.7 | Very low | 37.8 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 159.5 | -153 | 34 | -36.7 | 0 | 0 | 0 | 115.7 | ||
| 471 | H | 37.3 | Very low | 38.3 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 119.8 | -170.2 | -171.1 | 80.8 | 0 | 0 | 0 | 113.8 | ||
| 472 | T | 39.4 | Very low | 38.7 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 133.7 | 159.4 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 473 | P | 38 | Very low | 39 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 143.9 | -172.6 | 28.5 | -34 | 0 | 0 | 0 | 112.6 | ||
| 474 | R | 43.4 | Very low | 39.4 | Very low | 246 Ų | 246 | 132.9 Ų | 132.9 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 128.5 | -177.1 | -69.5 | -167.9 | 159.7 | -161.9 | -5.7 | 112.5 | ||
| 475 | T | 38.7 | Very low | 39.8 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 143.6 | 162.5 | 39.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 476 | P | 40.2 | Very low | 40.3 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75 | 139.9 | -172.9 | 29.6 | -32.7 | 0 | 0 | 0 | 112.8 | ||
| 477 | T | 41.9 | Very low | 41 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 122.6 | 176.9 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 478 | S | 35.7 | Very low | 42 | Very low | 105 Ų | 105 | 142 Ų | 142 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -104.7 | 135.1 | 158.9 | -172 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 479 | P | 42.5 | Very low | 43 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 136.6 | -170.4 | 28.8 | -33 | 0 | 0 | 0 | 112.4 | ||
| 480 | L | 43.8 | Very low | 44.3 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 143.5 | 171.1 | -74.9 | 149 | 0 | 0 | 0 | 110.7 | ||
| 481 | P | 47.1 | Very low | 45.6 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65 | 153.4 | 171.6 | 27.5 | -33 | 0 | 0 | 0 | 111.6 | T483 | P481-T483 PolarHBondContact O-N 3.48Š|
| 482 | P | 45.2 | Very low | 46.9 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 136.1 | -170.5 | 24.1 | -32.7 | 0 | 0 | 0 | 112.9 | T484 | P482-T484 PolarHBondContact O-N 2.99Š|
| 483 | T | 42.6 | Very low | 48.6 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 117.6 | -179.5 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | P481 | P481-T483 PolarHBondContact O-N 3.48Š|
| 484 | T | 40.5 | Very low | 50.6 | Low | 122 Ų | 122 | 146.4 Ų | 146.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.9 | 153.4 | 44.2 | 0 | 0 | 0 | 0 | 108.4 | P482 T486 | P482-T484 PolarHBondContact O-N 2.99Å; T484-T486 PolarHBondContact O-N 2.88Å; T484-T486 VanDerWaalsContact O-N 3.12Å |
| 485 | P | 44.5 | Very low | 52.4 | Low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -68 | 115.9 | -175.1 | 26.8 | -31.9 | 0 | 0 | 0 | 109.4 | R487 | P485-R487 VanDerWaalsContact C-N 3.34Å; P485-R487 PolarHBondContact O-N 3.33Å | ||
| 486 | T | 47.1 | Very low | 54.6 | Low | 136 Ų | 136 | 139 Ų | 139 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -58 | 96.1 | 169.5 | -51 | 0 | 0 | 0 | 0 | 108.7 | T484 R488 | T484-T486 PolarHBondContact O-N 2.88Å; T484-T486 VanDerWaalsContact O-N 3.12Å; T486-R488 PolarHBondContact O-N 3.32Å | ||
| 487 | R | 49.4 | Very low | 56.9 | Low | 181 Ų | 181 | 139.6 Ų | 139.6 | 68% | 0.683 | 76% | 0.759 | S | S | * | * | trans | -63.7 | 103.7 | 168.8 | -150.6 | 175 | -172.3 | -99.8 | -12.1 | 105.4 | P485 T489 E490 | P485-R487 VanDerWaalsContact C-N 3.34Å; P485-R487 PolarHBondContact O-N 3.33Å; R487-T489 PolarHBondContact O-N 3.07Å; R487-E490 VanDerWaalsContact CZ-CD 3.4Å; R487-E490 IonicContact CZ-OE1 3.32Å; R487-E490 VanDerWaalsContact CZ-OE1 3.32Å; R487-E490 IonicContact CZ-OE2 3.17Å; R487-E490 IonicContact NH1-OE1 3.53Å; R487-E490 IonicContact NH1-OE2 2.67Å; R487-E490 PolarHBondContact NH1-OE2 3.42Å; R487-E490 VanDerWaalsContact NH2-CD 3.26Å; R487-E490 IonicContact NH2-OE1 2.95Å; R487-E490 PolarHBondContact NH2-OE1 2.96Å; R487-E490 IonicContact NH2-OE2 2.95Å; R487-E490 PolarHBondContact NH2-OE2 3.04Å | ||
| 488 | R | 51.3 | Low | 59 | Low | 223 Ų | 223 | 140.8 Ų | 140.8 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | trans | -40.4 | 132.1 | 170.9 | -70.9 | 174.9 | 78.6 | -176.5 | 5.4 | 107.8 | T486 E490 | T486-R488 PolarHBondContact O-N 3.32Å; R488-E490 VanDerWaalsContact C-N 3.32Å; R488-E490 PolarHBondContact O-N 3.44Å | ||
| 489 | T | 57.9 | Low | 61.1 | Low | 143 Ų | 143 | 144 Ų | 144 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -44.3 | 89.9 | -177.5 | -41.1 | 0 | 0 | 0 | 0 | 111.4 | R487 M491 | R487-T489 PolarHBondContact O-N 3.07Å; T489-M491 PolarHBondContact O-N 3.37Å | ||
| 490 | E | 61.7 | Low | 63.1 | Low | 120 Ų | 120 | 141.7 Ų | 141.7 | 56% | 0.561 | 73% | 0.734 | S | S | * | * | trans | -73 | 127.2 | 167.9 | -74.6 | -171.8 | -169.1 | 0 | 0 | 106.2 | R487 R488 Y492 | R487-E490 VanDerWaalsContact CZ-CD 3.4Å; R487-E490 IonicContact CZ-OE1 3.32Å; R487-E490 VanDerWaalsContact CZ-OE1 3.32Å; R487-E490 IonicContact CZ-OE2 3.17Å; R487-E490 IonicContact NH1-OE1 3.53Å; R487-E490 IonicContact NH1-OE2 2.67Å; R487-E490 PolarHBondContact NH1-OE2 3.42Å; R487-E490 VanDerWaalsContact NH2-CD 3.26Å; R487-E490 IonicContact NH2-OE1 2.95Å; R487-E490 PolarHBondContact NH2-OE1 2.96Å; R487-E490 IonicContact NH2-OE2 2.95Å; R487-E490 PolarHBondContact NH2-OE2 3.04Å; R488-E490 VanDerWaalsContact C-N 3.32Å; R488-E490 PolarHBondContact O-N 3.44Å; E490-Y492 PolarHBondContact O-N 3.48Å | ||
| 491 | M | 68.6 | Low | 65 | Low | 160 Ų | 160 | 136.6 Ų | 136.6 | 79% | 0.788 | 72% | 0.716 | S | S | * | * | trans | -54 | 108.5 | -179.3 | -63.6 | 168.1 | -130.5 | 0 | 0 | 108.7 | T489 A493 L494 | T489-M491 PolarHBondContact O-N 3.37Å; M491-A493 PolarHBondContact O-N 3.45Å; M491-L494 HydrophobicContact SD-CD2 4.23Å | ||
| 492 | Y | 65.7 | Low | 66.5 | Low | 237 Ų | 237 | 134.1 Ų | 134.1 | 93% | 0.929 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -74 | -17.7 | -173.3 | -163.9 | -91.7 | 0 | 0 | 0 | 112.5 | E490 | E490-Y492 PolarHBondContact O-N 3.48Š|
| 493 | A | 74.7 | Confident | 68 | Low | 75 Ų | 75 | 133.2 Ų | 133.2 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | trans | -154.8 | 142.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | M491 | M491-A493 PolarHBondContact O-N 3.45Š| ||
| 494 | L | 79.4 | Confident | 69.7 | Low | 156 Ų | 156 | 129 Ų | 129 | 82% | 0.817 | 67% | 0.667 | S | S | * | * | trans | -99.8 | 118.5 | 166.7 | -66.5 | 172.2 | 0 | 0 | 0 | 107.8 | M491 | M491-L494 HydrophobicContact SD-CD2 4.23Š| ||
| 495 | I | 81.3 | Confident | 71.4 | Confident | 134 Ų | 134 | 127 Ų | 127 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | trans | -86.2 | 115.2 | 176.1 | -58.9 | 174.1 | 0 | 0 | 0 | 107.9 | I497 | I495-I497 PolarHBondContact O-N 2.93Š| ||
| 496 | D | 85.4 | Confident | 72.7 | Confident | 86 Ų | 86 | 127.4 Ų | 127.4 | 46% | 0.46 | 65% | 0.653 | S | S | . | * | trans | -76.4 | 106.5 | 169.9 | -176.8 | -23.5 | 0 | 0 | 0 | 109 | E498 R499 T500 | D496-E498 VanDerWaalsContact C-N 3.31Å; D496-E498 PolarHBondContact O-N 3.06Å; D496-E498 PolarHBondContact OD1-N 3.4Å; D496-R499 HydrophobicContact CB-CB 3.91Å; D496-R499 PolarHBondContact OD1-N 3.29Å; D496-T500 WeakPolarHBondContact O-CB 3.43Å; D496-T500 PolarHBondContact O-N 3.46Å; D496-T500 PolarHBondContact O-OG1 2.73Å | ||
| 497 | I | 88.6 | Confident | 73.6 | Confident | 138 Ų | 138 | 129.1 Ų | 129.1 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67 | -35.5 | -175.5 | -56.8 | 174.2 | 0 | 0 | 0 | 110.6 | I495 T500 A501 | I495-I497 PolarHBondContact O-N 2.93Å; I497-T500 PolarHBondContact O-N 3.43Å; I497-A501 WeakPolarHBondContact O-CB 3.34Å; I497-A501 PolarHBondContact O-N 3.03Å |
| 498 | E | 86.8 | Confident | 74.3 | Confident | 165 Ų | 165 | 128.3 Ų | 128.3 | 77% | 0.771 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.4 | -44.1 | -179.7 | -63.5 | -167.9 | 166.2 | 0 | 0 | 110.8 | D496 T500 A501 A502 | D496-E498 VanDerWaalsContact C-N 3.31Å; D496-E498 PolarHBondContact O-N 3.06Å; D496-E498 PolarHBondContact OD1-N 3.4Å; E498-T500 VanDerWaalsContact C-N 3.32Å; E498-T500 PolarHBondContact O-N 2.98Å; E498-A501 PolarHBondContact O-N 2.72Å; E498-A502 PolarHBondContact O-N 3.22Å |
| 499 | R | 78.1 | Confident | 74.8 | Confident | 172 Ų | 172 | 121 Ų | 121 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.7 | -41 | 174.7 | -174.9 | -177.1 | -89.3 | -178.3 | -6.6 | 111.5 | D496 A502 M503 | D496-R499 HydrophobicContact CB-CB 3.91Å; D496-R499 PolarHBondContact OD1-N 3.29Å; R499-A502 PolarHBondContact O-N 3.5Å; R499-M503 HydrophobicContact CG-CE 4.46Å; R499-M503 WeakPolarHBondContact O-CG 3.35Å; R499-M503 PolarHBondContact O-N 2.67Å; R499-M503 VanDerWaalsContact O-N 3.07Å |
| 500 | T | 86.4 | Confident | 75.1 | Confident | 69 Ų | 69 | 124.7 Ų | 124.7 | 42% | 0.423 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.2 | -41.1 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | D496 I497 E498 M503 S504 | D496-T500 WeakPolarHBondContact O-CB 3.43Å; D496-T500 PolarHBondContact O-N 3.46Å; D496-T500 PolarHBondContact O-OG1 2.73Å; I497-T500 PolarHBondContact O-N 3.43Å; E498-T500 VanDerWaalsContact C-N 3.32Å; E498-T500 PolarHBondContact O-N 2.98Å; T500-M503 PolarHBondContact O-N 3.45Å; T500-S504 PolarHBondContact O-N 3.43Å |
| 501 | A | 83.7 | Confident | 74.9 | Confident | 59 Ų | 59 | 125.2 Ų | 125.2 | 49% | 0.488 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -64.1 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | I497 E498 S504 S505 | I497-A501 WeakPolarHBondContact O-CB 3.34Å; I497-A501 PolarHBondContact O-N 3.03Å; E498-A501 PolarHBondContact O-N 2.72Å; A501-S504 PolarHBondContact O-N 3.03Å; A501-S505 PolarHBondContact O-N 3.22Å |
| 502 | A | 78.3 | Confident | 74.4 | Confident | 57 Ų | 57 | 128.2 Ų | 128.2 | 47% | 0.471 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -61.7 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E498 R499 S504 S505 L506 | E498-A502 PolarHBondContact O-N 3.22Å; R499-A502 PolarHBondContact O-N 3.5Å; A502-S504 PolarHBondContact O-N 2.72Å; A502-S505 PolarHBondContact O-N 2.94Å; A502-L506 PolarHBondContact O-N 2.95Å |
| 503 | M | 76 | Confident | 74 | Confident | 106 Ų | 106 | 123.5 Ų | 123.5 | 52% | 0.522 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.9 | -38.2 | 176 | -69.8 | -169.2 | -62.9 | 0 | 0 | 112.6 | R499 T500 S505 L506 Q507 | R499-M503 HydrophobicContact CG-CE 4.46Å; R499-M503 WeakPolarHBondContact O-CG 3.35Å; R499-M503 PolarHBondContact O-N 2.67Å; R499-M503 VanDerWaalsContact O-N 3.07Å; T500-M503 PolarHBondContact O-N 3.45Å; M503-S505 VanDerWaalsContact C-N 3.28Å; M503-S505 PolarHBondContact O-N 3.08Å; M503-L506 PolarHBondContact O-N 3.21Å; M503-Q507 PolarHBondContact O-N 3.02Å |
| 504 | S | 79.4 | Confident | 73.1 | Confident | 50 Ų | 50 | 125 Ų | 125 | 35% | 0.35 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.5 | -34.9 | 174.4 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | T500 A501 A502 Q507 K508 | T500-S504 PolarHBondContact O-N 3.43Å; A501-S504 PolarHBondContact O-N 3.03Å; A502-S504 PolarHBondContact O-N 2.72Å; S504-Q507 PolarHBondContact O-N 3.38Å; S504-K508 PolarHBondContact O-N 2.97Å |
| 505 | S | 74.7 | Confident | 72.2 | Confident | 79 Ų | 79 | 121 Ų | 121 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.3 | -32.1 | 176.9 | -159.3 | 0 | 0 | 0 | 0 | 112.7 | A501 A502 M503 K508 A509 | A501-S505 PolarHBondContact O-N 3.22Å; A502-S505 PolarHBondContact O-N 2.94Å; M503-S505 VanDerWaalsContact C-N 3.28Å; M503-S505 PolarHBondContact O-N 3.08Å; S505-K508 PolarHBondContact O-N 3.07Å; S505-A509 PolarHBondContact O-N 3.01Å; S505-A509 VanDerWaalsContact O-N 3.15Å |
| 506 | L | 72.6 | Confident | 71.1 | Confident | 130 Ų | 130 | 120.5 Ų | 120.5 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.5 | -39.3 | 172.8 | -72.9 | 170.4 | 0 | 0 | 0 | 111.9 | A502 M503 K508 A509 | A502-L506 PolarHBondContact O-N 2.95Å; M503-L506 PolarHBondContact O-N 3.21Å; L506-K508 PolarHBondContact O-N 3.36Å; L506-A509 WeakPolarHBondContact O-CB 3.41Å; L506-A509 PolarHBondContact O-N 3.28Å; L506-A509 VanDerWaalsContact O-N 3.17Å |
| 507 | Q | 66.3 | Low | 69.6 | Low | 171 Ų | 171 | 120.7 Ų | 120.7 | 80% | 0.799 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.5 | -22.3 | 176 | -69.8 | -178.9 | -27.1 | 0 | 0 | 113.2 | M503 S504 | M503-Q507 PolarHBondContact O-N 3.02Å; S504-Q507 PolarHBondContact O-N 3.38Å |
| 508 | K | 62.8 | Low | 68.2 | Low | 165 Ų | 165 | 125.1 Ų | 125.1 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -93.1 | -8.5 | 175.9 | -71.1 | 177.1 | 178.8 | 169.7 | 0 | 113.5 | S504 S505 L506 R510 | S504-K508 PolarHBondContact O-N 2.97Å; S505-K508 PolarHBondContact O-N 3.07Å; L506-K508 PolarHBondContact O-N 3.36Å; K508-R510 PolarHBondContact O-N 3.46Å; K508-R510 VanDerWaalsContact O-N 3.08Å |
| 509 | A | 62.5 | Low | 66.9 | Low | 68 Ų | 68 | 126.8 Ų | 126.8 | 56% | 0.562 | 66% | 0.663 | S | S | * | * | trans | -71.2 | 105.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | S505 L506 | S505-A509 PolarHBondContact O-N 3.01Å; S505-A509 VanDerWaalsContact O-N 3.15Å; L506-A509 WeakPolarHBondContact O-CB 3.41Å; L506-A509 PolarHBondContact O-N 3.28Å; L506-A509 VanDerWaalsContact O-N 3.17Å | ||
| 510 | R | 63.5 | Low | 66.3 | Low | 221 Ų | 221 | 123.4 Ų | 123.4 | 83% | 0.834 | 66% | 0.662 | S | S | * | * | trans | -56.6 | 148.8 | 165.1 | -72.2 | -170.1 | 172.4 | -169.2 | -2.5 | 108.7 | K508 R512 | K508-R510 PolarHBondContact O-N 3.46Å; K508-R510 VanDerWaalsContact O-N 3.08Å; R510-R512 PolarHBondContact O-N 3.23Å | ||
| 511 | P | 58.3 | Low | 64.8 | Low | 132 Ų | 132 | 131.5 Ų | 131.5 | 86% | 0.857 | 68% | 0.684 | S | S | * | * | trans | -52.3 | 105.9 | 173.8 | -20.8 | 30.8 | 0 | 0 | 0 | 108.3 | D513 | P511-D513 PolarHBondContact O-N 3.33Š| ||
| 512 | R | 57.6 | Low | 63.3 | Low | 223 Ų | 223 | 137.1 Ų | 137.1 | 84% | 0.842 | 70% | 0.7 | S | S | * | * | trans | -74.2 | 112.9 | 168.4 | -105.2 | -164.6 | 178.9 | 156 | 0.8 | 104.8 | R510 D514 | R510-R512 PolarHBondContact O-N 3.23Å; R512-D514 PolarHBondContact O-N 3.19Å | ||
| 513 | D | 57 | Low | 62.2 | Low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -67.7 | 75.4 | 159.6 | -166.4 | 59.9 | 0 | 0 | 0 | 107 | P511 G515 | P511-D513 PolarHBondContact O-N 3.33Å; D513-G515 PolarHBondContact O-N 2.96Å | ||
| 514 | D | 57 | Low | 60.8 | Low | 107 Ų | 107 | 140.4 Ų | 140.4 | 57% | 0.572 | 72% | 0.72 | S | S | * | * | trans | -70.3 | 106.4 | 161 | -110.8 | -24.4 | 0 | 0 | 0 | 104.2 | R512 T516 S517 | R512-D514 PolarHBondContact O-N 3.19Å; D514-T516 PolarHBondContact O-N 3.33Å; D514-T516 PolarHBondContact O-OG1 2.88Å; D514-S517 PolarHBondContact O-N 3.3Å | ||
| 515 | G | 59.9 | Low | 59.6 | Low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 20.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | D513 S517 | D513-G515 PolarHBondContact O-N 2.96Å; G515-S517 VanDerWaalsContact C-N 3.32Å |
| 516 | T | 58.8 | Low | 58.3 | Low | 123 Ų | 123 | 149.4 Ų | 149.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 4.4 | 164.4 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | D514 R518 | D514-T516 PolarHBondContact O-N 3.33Å; D514-T516 PolarHBondContact O-OG1 2.88Å; T516-R518 PolarHBondContact O-N 2.95Å |
| 517 | S | 53.7 | Low | 57.3 | Low | 89 Ų | 89 | 150.6 Ų | 150.6 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | trans | -48.7 | 113.3 | 169.6 | -83.9 | 0 | 0 | 0 | 0 | 109.9 | D514 G515 K519 | D514-S517 PolarHBondContact O-N 3.3Å; G515-S517 VanDerWaalsContact C-N 3.32Å; S517-K519 PolarHBondContact O-N 2.84Å | ||
| 518 | R | 59.8 | Low | 56.6 | Low | 232 Ų | 232 | 148.3 Ų | 148.3 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | -44.1 | 112 | 178.2 | -80.5 | 177.5 | 165.7 | -155.9 | -2.4 | 109.6 | T516 T520 | T516-R518 PolarHBondContact O-N 2.95Å; R518-T520 VanDerWaalsContact C-N 3.29Å; R518-T520 PolarHBondContact O-N 3.09Å | ||
| 519 | K | 59.6 | Low | 55.9 | Low | 199 Ų | 199 | 146.9 Ų | 146.9 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -66.8 | 88.7 | 173.9 | -164 | 159.5 | 166.1 | 172.4 | 0 | 108 | S517 | S517-K519 PolarHBondContact O-N 2.84Š| ||
| 520 | T | 63.9 | Low | 55.3 | Low | 102 Ų | 102 | 153 Ų | 153 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | trans | -73.7 | 149.3 | 168 | 58.9 | 0 | 0 | 0 | 0 | 108.4 | R518 H522 | R518-T520 VanDerWaalsContact C-N 3.29Å; R518-T520 PolarHBondContact O-N 3.09Å; T520-H522 PolarHBondContact O-N 3.01Å | ||
| 521 | R | 55.5 | Low | 54.3 | Low | 238 Ų | 238 | 148.3 Ų | 148.3 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 3.3 | -168.4 | -88.7 | 179.8 | 156.2 | -152.7 | -4.2 | 116.9 | ||
| 522 | H | 53.1 | Low | 53.7 | Low | 177 Ų | 177 | 146.6 Ų | 146.6 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 2.5 | -170 | -65.9 | -68.1 | 0 | 0 | 0 | 115.4 | T520 | T520-H522 PolarHBondContact O-N 3.01Š|
| 523 | N | 54 | Low | 53.1 | Low | 128 Ų | 128 | 144.6 Ų | 144.6 | 68% | 0.684 | 81% | 0.811 | S | S | * | * | trans | -110 | 86.8 | 172.1 | -155.5 | -19.7 | 0 | 0 | 0 | 110.8 | ||||
| 524 | S | 46.9 | Very low | 52.9 | Low | 104 Ų | 104 | 144.9 Ų | 144.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -140.2 | 88.2 | 169.9 | -57.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 525 | T | 54.1 | Low | 52.7 | Low | 128 Ų | 128 | 146.9 Ų | 146.9 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -114.8 | 70.9 | 161 | -37.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 526 | E | 46.7 | Very low | 52.3 | Low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -114 | 108.4 | 165.3 | -72 | -165.4 | 176.4 | 0 | 0 | 108.4 | ||||
| 527 | L | 51.5 | Low | 51.9 | Low | 154 Ų | 154 | 152.7 Ų | 152.7 | 81% | 0.806 | 84% | 0.837 | S | S | * | * | trans | -76.9 | 138 | 166.2 | -70.1 | 168.3 | 0 | 0 | 0 | 108.7 | T529 | L527-T529 PolarHBondContact O-N 3.12Š| ||
| 528 | P | 52.9 | Low | 51.8 | Low | 124 Ų | 124 | 156.7 Ų | 156.7 | 81% | 0.805 | 85% | 0.85 | S | S | * | * | trans | -77.2 | 110.1 | 174.4 | 29.5 | -29.2 | 0 | 0 | 0 | 109.5 | K530 | P528-K530 PolarHBondContact O-N 3.38Š| ||
| 529 | T | 48.5 | Very low | 51.3 | Low | 135 Ų | 135 | 151.7 Ų | 151.7 | 83% | 0.828 | 85% | 0.849 | S | S | * | * | trans | -77.8 | 110.1 | 162.7 | 46.5 | 0 | 0 | 0 | 0 | 108.8 | L527 S531 | L527-T529 PolarHBondContact O-N 3.12Å; T529-S531 PolarHBondContact O-N 3.49Å | ||
| 530 | K | 49.5 | Very low | 50.7 | Low | 196 Ų | 196 | 148.3 Ų | 148.3 | 85% | 0.852 | 85% | 0.848 | S | S | * | * | trans | -58.7 | 120.7 | 165.7 | -167.5 | 178 | -176.1 | -179.5 | 0 | 108.4 | P528 | P528-K530 PolarHBondContact O-N 3.38Š| ||
| 531 | S | 42.7 | Very low | 49.7 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 85% | 0.853 | 87% | 0.865 | S | S | * | * | trans | -140.4 | 101.9 | 158.7 | -75.9 | 0 | 0 | 0 | 0 | 107.8 | T529 | T529-S531 PolarHBondContact O-N 3.49Š| ||
| 532 | A | 45.9 | Very low | 49.2 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 79% | 0.793 | 86% | 0.862 | S | S | * | * | trans | -96.9 | 122.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 533 | A | 44.3 | Very low | 48.8 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 100% | 1.496 | 87% | 0.866 | S | S | * | * | trans | -173.9 | 0 | 144.7 | 0 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 533 of 533 residues in 385.8 ms
(Link to these results)