| 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 | 57.5 | Low | 48.3 | Very low | 239 Ų | 239 | 136.5 Ų | 136.5 | 100% | 1.177 | 82% | 0.815 | S | S | * | * | 0 | 82.5 | 0 | -80.4 | 174.4 | 160.5 | 0 | 0 | 105.6 | |||||
| 2 | D | 58.3 | Low | 47.8 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -69.9 | 131 | -170.8 | -58.2 | -84.2 | 0 | 0 | 0 | 110.2 | D4 | D2-D4 PolarHBondContact O-N 2.78Š| ||
| 3 | G | 54.3 | Low | 47.7 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -68 | 111.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | W5 | G3-W5 PolarHBondContact O-N 3.47Å; G3-W5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | D | 53.3 | Low | 48 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -69.6 | 97.5 | 168.8 | -178 | 52.9 | 0 | 0 | 0 | 109.3 | D2 S6 | D2-D4 PolarHBondContact O-N 2.78Å; D4-S6 PolarHBondContact O-N 3.47Å; D4-S6 VanDerWaalsContact OD1-CB 3.28Å; D4-S6 WeakPolarHBondContact OD1-CB 3.46Å; D4-S6 PolarHBondContact OD1-OG 3.48Å; D4-S6 WeakPolarHBondContact OD2-CB 3.17Å; D4-S6 PolarHBondContact OD2-OG 3.44Å | ||
| 5 | W | 47 | Very low | 48.7 | Very low | 250 Ų | 250 | 125.9 Ų | 125.9 | 95% | 0.947 | 77% | 0.767 | S | S | * | * | trans | -87.6 | 30.9 | 167 | -62.3 | -24.7 | 0 | 0 | 0 | 111.9 | G3 K7 | G3-W5 PolarHBondContact O-N 3.47Å; G3-W5 VanDerWaalsContact O-N 3.11Å; W5-K7 PolarHBondContact O-N 3.12Å | ||
| 6 | S | 53.2 | Low | 50.2 | Low | 83 Ų | 83 | 129.3 Ų | 129.3 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | trans | -57.8 | 103.3 | 165.4 | -71.1 | 0 | 0 | 0 | 0 | 108.7 | D4 | D4-S6 PolarHBondContact O-N 3.47Å; D4-S6 VanDerWaalsContact OD1-CB 3.28Å; D4-S6 WeakPolarHBondContact OD1-CB 3.46Å; D4-S6 PolarHBondContact OD1-OG 3.48Å; D4-S6 WeakPolarHBondContact OD2-CB 3.17Å; D4-S6 PolarHBondContact OD2-OG 3.44Å | ||
| 7 | K | 49.2 | Very low | 51.8 | Low | 184 Ų | 184 | 123.9 Ų | 123.9 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | 155 | 110.5 | 89.4 | -161.3 | 154.4 | -177.3 | 164.1 | 0 | 109.3 | W5 | W5-K7 PolarHBondContact O-N 3.12Š| |||
| 8 | D | 41.3 | Very low | 53.3 | Low | 162 Ų | 162 | 123.4 Ų | 123.4 | 87% | 0.866 | 72% | 0.715 | S | S | * | * | trans | 10 | 125.8 | 142.8 | -69.2 | -97 | 0 | 0 | 0 | 118.1 | ||||
| 9 | G | 41.7 | Very low | 54.7 | Low | 71 Ų | 71 | 118.1 Ų | 118.1 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | trans | 174.1 | 21.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | G11 | G9-G11 PolarHBondContact O-N 2.97Š| ||
| 10 | G | 38.8 | Very low | 56.2 | Low | 95 Ų | 95 | 112.6 Ų | 112.6 | 98% | 0.979 | 66% | 0.657 | S | S | * | * | trans | -67.4 | 86.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 11 | G | 37.3 | Very low | 57.5 | Low | 68 Ų | 68 | 111.8 Ų | 111.8 | 70% | 0.701 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 148.4 | 93.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G9 E13 | G9-G11 PolarHBondContact O-N 2.97Å; G11-E13 PolarHBondContact O-N 3.48Å |
| 12 | G | 41.8 | Very low | 58.6 | Low | 78 Ų | 78 | 106.8 Ų | 106.8 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | 67.5 | 35.3 | 134.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | P14 | G12-P14 WeakPolarHBondContact O-CD 3.01Š| ||
| 13 | E | 46 | Very low | 59.8 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | trans | -71.4 | 121.9 | 149.2 | -94.2 | -169.3 | 87.6 | 0 | 0 | 107.3 | G11 T15 R22 | G11-E13 PolarHBondContact O-N 3.48Å; E13-T15 VanDerWaalsContact C-N 3.35Å; E13-T15 PolarHBondContact O-N 2.95Å; E13-R22 IonicContact OE1-NH1 2.57Å; E13-R22 IonicContact OE2-CZ 2.68Å; E13-R22 IonicContact OE2-NH1 3.79Å; E13-R22 PolarHBondContact OE2-NH1 2.78Å; E13-R22 IonicContact OE2-NH2 3.49Å; E13-R22 PolarHBondContact OE2-NH2 3.17Å | ||
| 14 | P | 52.4 | Low | 60.9 | Low | 118 Ų | 118 | 110.6 Ų | 110.6 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | trans | -63.5 | 101.9 | 178.3 | 27 | -32.1 | 0 | 0 | 0 | 106.8 | G12 K16 | G12-P14 WeakPolarHBondContact O-CD 3.01Å; P14-K16 PolarHBondContact O-N 3.3Å | ||
| 15 | T | 58 | Low | 62 | Low | 55 Ų | 55 | 114.2 Ų | 114.2 | 34% | 0.337 | 62% | 0.617 | S | S | . | * | trans | -53.3 | 115.5 | 160.7 | 39.1 | 0 | 0 | 0 | 0 | 105.5 | E13 Y17 V20 R22 | E13-T15 VanDerWaalsContact C-N 3.35Å; E13-T15 PolarHBondContact O-N 2.95Å; T15-Y17 PolarHBondContact O-N 2.79Å; T15-V20 WeakPolarHBondContact CB-O 3.07Å; T15-V20 WeakPolarHBondContact CG2-O 3.19Å; T15-V20 PolarHBondContact OG1-O 2.89Å; T15-R22 HydrophobicContact CG2-CB 4.28Å | ||
| 16 | K | 73.5 | Confident | 63.6 | Low | 180 Ų | 180 | 104.6 Ų | 104.6 | 78% | 0.783 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -55 | -16.2 | -168.8 | -165.9 | 175.9 | -178.9 | -173.2 | 0 | 113.1 | P14 | P14-K16 PolarHBondContact O-N 3.3Š|
| 17 | Y | 76.9 | Confident | 65.1 | Low | 38 Ų | 38 | 104.5 Ų | 104.5 | 15% | 0.149 | 59% | 0.585 | C | S | . | * | S | Bend | trans | -120.6 | 135.6 | -176.8 | -54.5 | -73.2 | 0 | 0 | 0 | 111.9 | T15 V20 A50 E51 A54 N72 F73 | T15-Y17 PolarHBondContact O-N 2.79Å; Y17-V20 PolarHBondContact O-N 3.38Å; Y17-A50 HydrophobicContact CD2-CB 3.93Å; Y17-A50 HydrophobicContact CE2-CB 4.1Å; Y17-E51 HydrophobicContact CE2-CG 4.38Å; Y17-A54 VanDerWaalsContact CB-CB 3.46Å; Y17-A54 HydrophobicContact CD1-CB 3.95Å; Y17-A54 HydrophobicContact CD2-CB 4.25Å; Y17-A54 HydrophobicContact CG-CB 3.62Å; Y17-N72 WeakPolarHBondContact CA-OD1 3.25Å; Y17-N72 HydrophobicContact CD1-CB 4.1Å; Y17-F73 HydrophobicContact CD1-CE1 4.41Å; Y17-F73 HydrophobicContact CD1-CE2 4.4Å; Y17-F73 AromaticContact CD1-CZ 3.88Å; Y17-F73 HydrophobicContact CD1-CZ 3.88Å; Y17-F73 AromaticContact CE1-CE1 3.7Å; Y17-F73 HydrophobicContact CE1-CE1 3.7Å; Y17-F73 HydrophobicContact CE1-CE2 4.38Å; Y17-F73 AromaticContact CE1-CZ 3.44Å; Y17-F73 HydrophobicContact CE1-CZ 3.44Å; Y17-F73 VanDerWaalsContact CE1-CZ 3.44Å; Y17-F73 AromaticContact CZ-CZ 3.99Å |
| 18 | R | 79 | Confident | 66.7 | Low | 115 Ų | 115 | 98.7 Ų | 98.7 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | 136.5 | 177.2 | -176.7 | 175.4 | 147.9 | 164.4 | -8.5 | 110.6 | V20 Y57 N72 | R18-V20 PolarHBondContact O-N 3.35Å; R18-Y57 HydrophobicContact CB-CE1 4.34Å; R18-Y57 HydrophobicContact CG-CE1 3.89Å; R18-Y57 PolarHBondContact NE-OH 3.3Å; R18-Y57 PolarHBondContact NH2-OH 3.32Å; R18-Y57 WeakPolarHBondContact O-CD1 3.19Å; R18-N72 WeakPolarHBondContact CB-OD1 3.38Å; R18-N72 PolarHBondContact N-OD1 2.82Å; R18-N72 PolarHBondContact O-ND2 3.28Å |
| 19 | G | 79.1 | Confident | 68.8 | Low | 23 Ų | 23 | 91.1 Ų | 91.1 | 24% | 0.237 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A30 E31 | G19-A30 CarbonylContact O-C 3.58Å; G19-A30 WeakPolarHBondContact O-CA 3.14Å; G19-E31 WeakPolarHBondContact CA-O 3.39Å; G19-E31 PolarHBondContact O-N 2.88Å |
| 20 | V | 84.6 | Confident | 71 | Confident | 7 Ų | 7 | 87.7 Ų | 87.7 | 4% | 0.042 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.8 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | T15 Y17 R18 Y28 A29 A53 A54 | T15-V20 WeakPolarHBondContact CB-O 3.07Å; T15-V20 WeakPolarHBondContact CG2-O 3.19Å; T15-V20 PolarHBondContact OG1-O 2.89Å; Y17-V20 PolarHBondContact O-N 3.38Å; R18-V20 PolarHBondContact O-N 3.35Å; V20-Y28 HydrophobicContact CG1-CD1 3.78Å; V20-Y28 HydrophobicContact CG1-CG 4.27Å; V20-A29 CarbonylContact C-O 3.59Å; V20-A29 WeakPolarHBondContact CA-O 3.39Å; V20-A53 HydrophobicContact CB-CB 4.38Å; V20-A53 HydrophobicContact CG1-CB 3.82Å; V20-A53 HydrophobicContact CG2-CB 3.68Å; V20-A54 HydrophobicContact CG2-CB 3.96Å |
| 21 | R | 83.8 | Confident | 73.1 | Confident | 97 Ų | 97 | 85.5 Ų | 85.5 | 37% | 0.366 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140.5 | 171.3 | 62.7 | 178.1 | 174.2 | 73.7 | 2.5 | 111.4 | Y28 A29 E31 | R21-Y28 WeakPolarHBondContact O-CA 3.38Å; R21-A29 HydrophobicContact CG-CB 3.85Å; R21-A29 VanDerWaalsContact CZ-CB 3.47Å; R21-A29 PolarHBondContact N-O 3.4Å; R21-A29 PolarHBondContact O-N 2.99Å; R21-E31 IonicContact CZ-OE2 3.59Å; R21-E31 IonicContact NE-OE2 3.65Å; R21-E31 PolarHBondContact NE-OE2 3.46Å; R21-E31 IonicContact NH2-OE2 3.53Å |
| 22 | R | 82 | Confident | 75.2 | Confident | 134 Ų | 134 | 82.7 Ų | 82.7 | 51% | 0.506 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.5 | 176.6 | -166.3 | 175.2 | 71.6 | -157 | -0.2 | 109.8 | E13 T15 Y28 | E13-R22 IonicContact OE1-NH1 2.57Å; E13-R22 IonicContact OE2-CZ 2.68Å; E13-R22 IonicContact OE2-NH1 3.79Å; E13-R22 PolarHBondContact OE2-NH1 2.78Å; E13-R22 IonicContact OE2-NH2 3.49Å; E13-R22 PolarHBondContact OE2-NH2 3.17Å; T15-R22 HydrophobicContact CG2-CB 4.28Å; R22-Y28 HydrophobicContact CB-CE1 4.36Å; R22-Y28 HydrophobicContact CG-CE1 4.2Å |
| 23 | R | 82.2 | Confident | 77 | Confident | 162 Ų | 162 | 87 Ų | 87 | 61% | 0.611 | 41% | 0.408 | S | S | * | . | trans | -92.5 | 152.7 | 174.6 | -157.4 | 167.2 | -153.5 | -133.7 | -0.3 | 110 | W25 G26 K27 | R23-W25 PolarHBondContact O-N 3.39Å; R23-G26 PolarHBondContact O-N 3.25Å; R23-K27 PolarHBondContact N-O 2.87Å | ||
| 24 | P | 76.9 | Confident | 78.1 | Confident | 141 Ų | 141 | 81.9 Ų | 81.9 | 92% | 0.916 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.9 | 171.4 | 20.6 | -36.1 | 0 | 0 | 0 | 114.3 | G26 | P24-G26 PolarHBondContact O-N 3.28Š|
| 25 | W | 78 | Confident | 78.6 | Confident | 202 Ų | 202 | 81 Ų | 81 | 77% | 0.765 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -4.8 | 171.1 | -172.3 | -116.4 | 0 | 0 | 0 | 114 | R23 K27 | R23-W25 PolarHBondContact O-N 3.39Å; W25-K27 VanDerWaalsContact C-N 3.31Å; W25-K27 VanDerWaalsContact CD1-CG 3.48Å; W25-K27 PolarHBondContact O-N 2.94Å |
| 26 | G | 79.3 | Confident | 78.9 | Confident | 48 Ų | 48 | 83.5 Ų | 83.5 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 82.8 | -0.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R23 P24 | R23-G26 PolarHBondContact O-N 3.25Å; P24-G26 PolarHBondContact O-N 3.28Å |
| 27 | K | 85.5 | Confident | 78.4 | Confident | 82 Ų | 82 | 77.2 Ų | 77.2 | 36% | 0.357 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 155.2 | 175.6 | -57.9 | -67 | -176.7 | -179.6 | 0 | 112 | R23 W25 D48 | R23-K27 PolarHBondContact N-O 2.87Å; W25-K27 VanDerWaalsContact C-N 3.31Å; W25-K27 VanDerWaalsContact CD1-CG 3.48Å; W25-K27 PolarHBondContact O-N 2.94Å; K27-D48 VanDerWaalsContact CD-OD1 3.29Å; K27-D48 WeakPolarHBondContact CD-OD1 3.41Å; K27-D48 WeakPolarHBondContact CE-OD1 3.14Å; K27-D48 IonicContact NZ-OD1 3.33Å; K27-D48 PolarHBondContact NZ-OD1 3.02Å |
| 28 | Y | 83.3 | Confident | 77.8 | Confident | 62 Ų | 62 | 84.5 Ų | 84.5 | 24% | 0.243 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.7 | 174.9 | -62.8 | -84.5 | 0 | 0 | 0 | 109.4 | V20 R21 R22 T46 F47 D48 T49 A50 | V20-Y28 HydrophobicContact CG1-CD1 3.78Å; V20-Y28 HydrophobicContact CG1-CG 4.27Å; R21-Y28 WeakPolarHBondContact O-CA 3.38Å; R22-Y28 HydrophobicContact CB-CE1 4.36Å; R22-Y28 HydrophobicContact CG-CE1 4.2Å; Y28-T46 CarbonylContact O-C 3.47Å; Y28-T46 VanDerWaalsContact O-CA 3.27Å; Y28-T46 WeakPolarHBondContact O-CA 3.43Å; Y28-F47 PolarHBondContact N-O 3.07Å; Y28-F47 PolarHBondContact O-N 2.82Å; Y28-D48 WeakPolarHBondContact CD2-O 2.96Å; Y28-D48 WeakPolarHBondContact CE2-O 3.35Å; Y28-T49 VanDerWaalsContact CD2-C 3.4Å; Y28-A50 HydrophobicContact CD1-CB 3.79Å; Y28-A50 HydrophobicContact CD2-CB 4.49Å; Y28-A50 HydrophobicContact CE1-CB 3.67Å; Y28-A50 HydrophobicContact CE2-CB 4.38Å; Y28-A50 HydrophobicContact CG-CB 4.21Å |
| 29 | A | 85.4 | Confident | 77.3 | Confident | 2 Ų | 2 | 80.1 Ų | 80.1 | 2% | 0.017 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | V20 R21 G45 T46 | V20-A29 CarbonylContact C-O 3.59Å; V20-A29 WeakPolarHBondContact CA-O 3.39Å; R21-A29 HydrophobicContact CG-CB 3.85Å; R21-A29 VanDerWaalsContact CZ-CB 3.47Å; R21-A29 PolarHBondContact N-O 3.4Å; R21-A29 PolarHBondContact O-N 2.99Å; A29-G45 WeakPolarHBondContact CA-O 3.2Å; A29-T46 HydrophobicContact CB-CG2 4.01Å |
| 30 | A | 87.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G19 L44 G45 F47 A53 | G19-A30 CarbonylContact O-C 3.58Å; G19-A30 WeakPolarHBondContact O-CA 3.14Å; A30-L44 HydrophobicContact CB-CB 4.04Å; A30-L44 HydrophobicContact CB-CD1 4.27Å; A30-L44 WeakPolarHBondContact O-CB 3.02Å; A30-L44 PolarHBondContact O-N 2.85Å; A30-G45 PolarHBondContact N-O 3.39Å; A30-G45 PolarHBondContact O-N 3.03Å; A30-F47 HydrophobicContact CB-CD2 4.15Å; A30-F47 HydrophobicContact CB-CE2 3.77Å; A30-A53 HydrophobicContact CB-CB 4.1Å; A30-A53 WeakPolarHBondContact CB-O 3.48Å |
| 31 | E | 82.9 | Confident | 76.8 | Confident | 48 Ų | 48 | 90.3 Ų | 90.3 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146.7 | 174.8 | 61.3 | -171.8 | -130.7 | 0 | 0 | 110.3 | G19 R21 R41 I42 Y57 | G19-E31 WeakPolarHBondContact CA-O 3.39Å; G19-E31 PolarHBondContact O-N 2.88Å; R21-E31 IonicContact CZ-OE2 3.59Å; R21-E31 IonicContact NE-OE2 3.65Å; R21-E31 PolarHBondContact NE-OE2 3.46Å; R21-E31 IonicContact NH2-OE2 3.53Å; E31-R41 IonicContact OE1-NH1 3.48Å; E31-I42 CarbonylContact C-O 3.53Å; E31-I42 WeakPolarHBondContact CA-O 3.47Å; E31-I42 WeakPolarHBondContact CB-O 3.3Å; E31-Y57 VanDerWaalsContact O-CD2 3.31Å; E31-Y57 WeakPolarHBondContact O-CD2 3.3Å; E31-Y57 WeakPolarHBondContact O-CE2 3.16Å |
| 32 | I | 81.9 | Confident | 76.5 | Confident | 9 Ų | 9 | 87.5 Ų | 87.5 | 5% | 0.046 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.9 | 177.6 | -169.6 | 157 | 0 | 0 | 0 | 111.1 | I42 L44 Y57 A61 M64 | I32-I42 HydrophobicContact CG2-CB 3.78Å; I32-I42 HydrophobicContact CG2-CD1 4.3Å; I32-I42 HydrophobicContact CG2-CG1 4.45Å; I32-I42 HydrophobicContact CG2-CG2 4.43Å; I32-I42 PolarHBondContact N-O 2.79Å; I32-I42 PolarHBondContact O-N 2.93Å; I32-L44 HydrophobicContact CB-CD1 4.16Å; I32-L44 HydrophobicContact CB-CG 4.47Å; I32-L44 HydrophobicContact CG2-CD1 4.29Å; I32-L44 HydrophobicContact CG2-CD2 3.74Å; I32-L44 HydrophobicContact CG2-CG 4.16Å; I32-Y57 HydrophobicContact CB-CD2 4.1Å; I32-Y57 HydrophobicContact CB-CE2 3.84Å; I32-Y57 HydrophobicContact CD1-CD2 4.45Å; I32-Y57 HydrophobicContact CD1-CE2 4.05Å; I32-Y57 HydrophobicContact CG1-CD2 4.37Å; I32-Y57 HydrophobicContact CG1-CE2 3.75Å; I32-A61 VanDerWaalsContact CD1-CA 3.48Å; I32-A61 HydrophobicContact CD1-CB 3.75Å; I32-M64 HydrophobicContact CD1-SD 3.47Å; I32-M64 WeakPolarHBondContact CD1-SD 3.26Å; I32-M64 HydrophobicContact CG1-SD 3.92Å; I32-M64 HydrophobicContact CG2-SD 4.12Å |
| 33 | R | 79.6 | Confident | 76.6 | Confident | 170 Ų | 170 | 88.7 Ų | 88.7 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.3 | 176.8 | -177.3 | -179 | 179.8 | -166.6 | -2 | 109.1 | ||
| 34 | D | 67.7 | Low | 76.6 | Confident | 26 Ų | 26 | 83.2 Ų | 83.2 | 14% | 0.139 | 41% | 0.414 | C | S | . | . | trans | -96.9 | 117.9 | 170.5 | -160.6 | -21.1 | 0 | 0 | 0 | 110.6 | S36 R37 G39 V40 M64 | D34-S36 VanDerWaalsContact C-N 3.33Å; D34-S36 WeakPolarHBondContact OD1-CA 3.35Å; D34-S36 WeakPolarHBondContact OD1-CB 3.4Å; D34-S36 PolarHBondContact OD1-N 3.31Å; D34-R37 HydrophobicContact CB-CB 4.35Å; D34-R37 IonicContact OD2-CZ 3.76Å; D34-R37 IonicContact OD2-NE 2.82Å; D34-R37 PolarHBondContact OD2-NE 2.88Å; D34-R37 IonicContact OD2-NH2 2.78Å; D34-R37 PolarHBondContact OD2-NH2 3.49Å; D34-G39 CarbonylContact O-C 3.55Å; D34-G39 WeakPolarHBondContact O-CA 3.44Å; D34-G39 PolarHBondContact O-N 3.19Å; D34-V40 PolarHBondContact N-O 3.03Å; D34-V40 VanDerWaalsContact N-O 3.17Å; D34-M64 HydrophobicContact CB-CE 3.41Å; D34-M64 VanDerWaalsContact CB-CE 3.41Å; D34-M64 WeakPolarHBondContact OD2-CE 3.46Å | ||
| 35 | S | 64 | Low | 77 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 69% | 0.692 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -19 | 174 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 36 | S | 64.5 | Low | 77.5 | Confident | 109 Ų | 109 | 71.9 Ų | 71.9 | 76% | 0.762 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -37.6 | 179.2 | -163.2 | 0 | 0 | 0 | 0 | 111.8 | D34 H38 | D34-S36 VanDerWaalsContact C-N 3.33Å; D34-S36 WeakPolarHBondContact OD1-CA 3.35Å; D34-S36 WeakPolarHBondContact OD1-CB 3.4Å; D34-S36 PolarHBondContact OD1-N 3.31Å; S36-H38 PolarHBondContact O-N 2.95Å |
| 37 | R | 61.5 | Low | 77.8 | Confident | 48 Ų | 48 | 71.4 Ų | 71.4 | 18% | 0.181 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 59.5 | -177.9 | -61.3 | -178.3 | -64.7 | -165.8 | 13.9 | 111.9 | D34 G39 V40 | D34-R37 HydrophobicContact CB-CB 4.35Å; D34-R37 IonicContact OD2-CZ 3.76Å; D34-R37 IonicContact OD2-NE 2.82Å; D34-R37 PolarHBondContact OD2-NE 2.88Å; D34-R37 IonicContact OD2-NH2 2.78Å; D34-R37 PolarHBondContact OD2-NH2 3.49Å; R37-G39 VanDerWaalsContact C-N 3.25Å; R37-G39 PolarHBondContact O-N 2.99Å; R37-G39 VanDerWaalsContact O-N 3.12Å; R37-V40 WeakPolarHBondContact O-CG2 3.1Å; R37-V40 PolarHBondContact O-N 2.82Å |
| 38 | H | 64.6 | Low | 77.9 | Confident | 191 Ų | 191 | 72.4 Ų | 72.4 | 88% | 0.884 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 20.9 | 174.9 | -56.7 | -77.7 | 0 | 0 | 0 | 116.6 | S36 V40 | S36-H38 PolarHBondContact O-N 2.95Å; H38-V40 VanDerWaalsContact C-N 3.3Å; H38-V40 PolarHBondContact O-N 2.75Å |
| 39 | G | 68.9 | Low | 78.1 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 17.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | D34 R37 R41 | D34-G39 CarbonylContact O-C 3.55Å; D34-G39 WeakPolarHBondContact O-CA 3.44Å; D34-G39 PolarHBondContact O-N 3.19Å; R37-G39 VanDerWaalsContact C-N 3.25Å; R37-G39 PolarHBondContact O-N 2.99Å; R37-G39 VanDerWaalsContact O-N 3.12Å; G39-R41 PolarHBondContact O-N 3.09Å |
| 40 | V | 74.8 | Confident | 78.1 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 38% | 0.376 | 37% | 0.371 | S | S | . | . | trans | -55.4 | 134.6 | 178.9 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | D34 R37 H38 I42 | D34-V40 PolarHBondContact N-O 3.03Å; D34-V40 VanDerWaalsContact N-O 3.17Å; R37-V40 WeakPolarHBondContact O-CG2 3.1Å; R37-V40 PolarHBondContact O-N 2.82Å; H38-V40 VanDerWaalsContact C-N 3.3Å; H38-V40 PolarHBondContact O-N 2.75Å; V40-I42 HydrophobicContact CG1-CG1 4.09Å | ||
| 41 | R | 79.2 | Confident | 78.1 | Confident | 183 Ų | 183 | 77 Ų | 77 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.1 | 174.7 | -60.8 | -177.2 | -177.5 | -150.9 | 5.5 | 108.1 | E31 G39 | E31-R41 IonicContact OE1-NH1 3.48Å; G39-R41 PolarHBondContact O-N 3.09Å |
| 42 | I | 77.1 | Confident | 78.3 | Confident | 38 Ų | 38 | 78.5 Ų | 78.5 | 20% | 0.195 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.6 | 179.8 | -54.4 | 172.6 | 0 | 0 | 0 | 107.1 | E31 I32 V40 L44 | E31-I42 CarbonylContact C-O 3.53Å; E31-I42 WeakPolarHBondContact CA-O 3.47Å; E31-I42 WeakPolarHBondContact CB-O 3.3Å; I32-I42 HydrophobicContact CG2-CB 3.78Å; I32-I42 HydrophobicContact CG2-CD1 4.3Å; I32-I42 HydrophobicContact CG2-CG1 4.45Å; I32-I42 HydrophobicContact CG2-CG2 4.43Å; I32-I42 PolarHBondContact N-O 2.79Å; I32-I42 PolarHBondContact O-N 2.93Å; V40-I42 HydrophobicContact CG1-CG1 4.09Å; I42-L44 HydrophobicContact CG2-CD2 4.3Å |
| 43 | W | 83.4 | Confident | 78.6 | Confident | 159 Ų | 159 | 78.1 Ų | 78.1 | 60% | 0.602 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 118 | 175.2 | 179.9 | 15.7 | 0 | 0 | 0 | 108.9 | G45 T46 | W43-G45 VanDerWaalsContact CD1-N 3.29Å; W43-G45 PolarHBondContact NE1-O 2.92Å; W43-T46 HydrophobicContact CZ2-CG2 3.82Å |
| 44 | L | 82.4 | Confident | 79 | Confident | 47 Ų | 47 | 70 Ų | 70 | 25% | 0.246 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -31.4 | -177.7 | -57.9 | 179.2 | 0 | 0 | 0 | 112.6 | A30 I32 I42 Y57 S60 | A30-L44 HydrophobicContact CB-CB 4.04Å; A30-L44 HydrophobicContact CB-CD1 4.27Å; A30-L44 WeakPolarHBondContact O-CB 3.02Å; A30-L44 PolarHBondContact O-N 2.85Å; I32-L44 HydrophobicContact CB-CD1 4.16Å; I32-L44 HydrophobicContact CB-CG 4.47Å; I32-L44 HydrophobicContact CG2-CD1 4.29Å; I32-L44 HydrophobicContact CG2-CD2 3.74Å; I32-L44 HydrophobicContact CG2-CG 4.16Å; I42-L44 HydrophobicContact CG2-CD2 4.3Å; L44-Y57 HydrophobicContact CD1-CD2 4.2Å; L44-S60 WeakPolarHBondContact CD2-OG 3.33Å |
| 45 | G | 85.4 | Confident | 79.9 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 19% | 0.186 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.6 | -177.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A29 A30 W43 | A29-G45 WeakPolarHBondContact CA-O 3.2Å; A30-G45 PolarHBondContact N-O 3.39Å; A30-G45 PolarHBondContact O-N 3.03Å; W43-G45 VanDerWaalsContact CD1-N 3.29Å; W43-G45 PolarHBondContact NE1-O 2.92Å |
| 46 | T | 88.3 | Confident | 81 | Confident | 86 Ų | 86 | 69.2 Ų | 69.2 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.6 | 170.8 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | Y28 A29 W43 | Y28-T46 CarbonylContact O-C 3.47Å; Y28-T46 VanDerWaalsContact O-CA 3.27Å; Y28-T46 WeakPolarHBondContact O-CA 3.43Å; A29-T46 HydrophobicContact CB-CG2 4.01Å; W43-T46 HydrophobicContact CZ2-CG2 3.82Å |
| 47 | F | 86 | Confident | 82 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 17% | 0.167 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 157.3 | -173.4 | -55.8 | -84.8 | 0 | 0 | 0 | 110 | Y28 A30 E52 A53 A56 | Y28-F47 PolarHBondContact N-O 3.07Å; Y28-F47 PolarHBondContact O-N 2.82Å; A30-F47 HydrophobicContact CB-CD2 4.15Å; A30-F47 HydrophobicContact CB-CE2 3.77Å; F47-E52 HydrophobicContact CB-CB 4.25Å; F47-E52 HydrophobicContact CB-CG 4.34Å; F47-E52 HydrophobicContact CD1-CB 4.25Å; F47-E52 VanDerWaalsContact CD1-CD 3.48Å; F47-E52 HydrophobicContact CD1-CG 3.49Å; F47-E52 VanDerWaalsContact CD1-CG 3.49Å; F47-E52 HydrophobicContact CE1-CG 4.07Å; F47-E52 HydrophobicContact CG-CB 4.42Å; F47-E52 HydrophobicContact CG-CG 4.13Å; F47-A53 HydrophobicContact CB-CB 4.03Å; F47-A53 HydrophobicContact CD2-CB 3.57Å; F47-A53 HydrophobicContact CE2-CB 4.41Å; F47-A53 HydrophobicContact CG-CB 4.07Å; F47-A56 HydrophobicContact CE1-CB 4.13Å; F47-A56 HydrophobicContact CE2-CB 3.61Å; F47-A56 HydrophobicContact CZ-CB 3.31Å |
| 48 | D | 86.4 | Confident | 83.2 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -79.2 | -26.5 | 178.7 | -65.5 | -33.1 | 0 | 0 | 0 | 111.8 | K27 Y28 | K27-D48 VanDerWaalsContact CD-OD1 3.29Å; K27-D48 WeakPolarHBondContact CD-OD1 3.41Å; K27-D48 WeakPolarHBondContact CE-OD1 3.14Å; K27-D48 IonicContact NZ-OD1 3.33Å; K27-D48 PolarHBondContact NZ-OD1 3.02Å; Y28-D48 WeakPolarHBondContact CD2-O 2.96Å; Y28-D48 WeakPolarHBondContact CE2-O 3.35Å |
| 49 | T | 87.6 | Confident | 84.1 | Confident | 57 Ų | 57 | 60.1 Ų | 60.1 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -118.9 | 152.6 | -177.8 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | Y28 E51 E52 A53 | Y28-T49 VanDerWaalsContact CD2-C 3.4Å; T49-E51 VanDerWaalsContact C-N 3.34Å; T49-E52 WeakPolarHBondContact OG1-CB 3.31Å; T49-E52 PolarHBondContact OG1-N 3.47Å; T49-A53 PolarHBondContact O-N 3.38Å |
| 50 | A | 86.7 | Confident | 84.8 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.7 | -35.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y17 Y28 A53 A54 | Y17-A50 HydrophobicContact CD2-CB 3.93Å; Y17-A50 HydrophobicContact CE2-CB 4.1Å; Y28-A50 HydrophobicContact CD1-CB 3.79Å; Y28-A50 HydrophobicContact CD2-CB 4.49Å; Y28-A50 HydrophobicContact CE1-CB 3.67Å; Y28-A50 HydrophobicContact CE2-CB 4.38Å; Y28-A50 HydrophobicContact CG-CB 4.21Å; A50-A53 PolarHBondContact O-N 3.47Å; A50-A54 VanDerWaalsContact O-CB 3.25Å; A50-A54 WeakPolarHBondContact O-CB 3.37Å; A50-A54 PolarHBondContact O-N 2.81Å |
| 51 | E | 88.4 | Confident | 85.1 | Confident | 91 Ų | 91 | 58 Ų | 58 | 43% | 0.425 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | -179.5 | -62.8 | 76.7 | -171.4 | 0 | 0 | 111.3 | Y17 T49 A54 R55 F73 | Y17-E51 HydrophobicContact CE2-CG 4.38Å; T49-E51 VanDerWaalsContact C-N 3.34Å; E51-A54 PolarHBondContact O-N 3.27Å; E51-R55 WeakPolarHBondContact O-CG 3.35Å; E51-R55 PolarHBondContact O-N 3.38Å; E51-F73 HydrophobicContact CB-CZ 4.45Å |
| 52 | E | 85.7 | Confident | 85.2 | Confident | 79 Ų | 79 | 50.6 Ų | 50.6 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.4 | -170.8 | -177.8 | -170.6 | 0 | 0 | 111.8 | F47 T49 A54 R55 A56 | F47-E52 HydrophobicContact CB-CB 4.25Å; F47-E52 HydrophobicContact CB-CG 4.34Å; F47-E52 HydrophobicContact CD1-CB 4.25Å; F47-E52 VanDerWaalsContact CD1-CD 3.48Å; F47-E52 HydrophobicContact CD1-CG 3.49Å; F47-E52 VanDerWaalsContact CD1-CG 3.49Å; F47-E52 HydrophobicContact CE1-CG 4.07Å; F47-E52 HydrophobicContact CG-CB 4.42Å; F47-E52 HydrophobicContact CG-CG 4.13Å; T49-E52 WeakPolarHBondContact OG1-CB 3.31Å; T49-E52 PolarHBondContact OG1-N 3.47Å; E52-A54 VanDerWaalsContact C-N 3.28Å; E52-A54 PolarHBondContact O-N 2.83Å; E52-R55 PolarHBondContact O-N 2.82Å; E52-A56 PolarHBondContact O-N 2.86Å |
| 53 | A | 87.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V20 A30 F47 T49 A50 A56 Y57 | V20-A53 HydrophobicContact CB-CB 4.38Å; V20-A53 HydrophobicContact CG1-CB 3.82Å; V20-A53 HydrophobicContact CG2-CB 3.68Å; A30-A53 HydrophobicContact CB-CB 4.1Å; A30-A53 WeakPolarHBondContact CB-O 3.48Å; F47-A53 HydrophobicContact CB-CB 4.03Å; F47-A53 HydrophobicContact CD2-CB 3.57Å; F47-A53 HydrophobicContact CE2-CB 4.41Å; F47-A53 HydrophobicContact CG-CB 4.07Å; T49-A53 PolarHBondContact O-N 3.38Å; A50-A53 PolarHBondContact O-N 3.47Å; A53-A56 PolarHBondContact O-N 3.27Å; A53-Y57 PolarHBondContact O-N 3.26Å |
| 54 | A | 88.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y17 V20 A50 E51 E52 A56 Y57 D58 N72 F73 | Y17-A54 VanDerWaalsContact CB-CB 3.46Å; Y17-A54 HydrophobicContact CD1-CB 3.95Å; Y17-A54 HydrophobicContact CD2-CB 4.25Å; Y17-A54 HydrophobicContact CG-CB 3.62Å; V20-A54 HydrophobicContact CG2-CB 3.96Å; A50-A54 VanDerWaalsContact O-CB 3.25Å; A50-A54 WeakPolarHBondContact O-CB 3.37Å; A50-A54 PolarHBondContact O-N 2.81Å; E51-A54 PolarHBondContact O-N 3.27Å; E52-A54 VanDerWaalsContact C-N 3.28Å; E52-A54 PolarHBondContact O-N 2.83Å; A54-A56 VanDerWaalsContact C-N 3.34Å; A54-Y57 WeakPolarHBondContact O-CB 3.3Å; A54-Y57 PolarHBondContact O-N 3.23Å; A54-D58 PolarHBondContact O-N 3.47Å; A54-N72 HydrophobicContact CB-CB 4.41Å; A54-F73 HydrophobicContact CB-CD2 4.44Å; A54-F73 HydrophobicContact CB-CE2 3.5Å; A54-F73 VanDerWaalsContact CB-CE2 3.5Å; A54-F73 HydrophobicContact CB-CZ 4.12Å |
| 55 | R | 87.3 | Confident | 84 | Confident | 97 Ų | 97 | 54 Ų | 54 | 37% | 0.366 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 173 | -71.8 | -173.1 | -69.9 | 161.1 | -1.3 | 112.2 | E51 E52 Y57 D58 R59 F73 Y80 | E51-R55 WeakPolarHBondContact O-CG 3.35Å; E51-R55 PolarHBondContact O-N 3.38Å; E52-R55 PolarHBondContact O-N 2.82Å; R55-Y57 VanDerWaalsContact C-N 3.35Å; R55-D58 PolarHBondContact O-N 3.3Å; R55-R59 WeakPolarHBondContact O-CG 3.42Å; R55-R59 PolarHBondContact O-N 2.69Å; R55-F73 HydrophobicContact CG-CD2 3.72Å; R55-F73 HydrophobicContact CG-CE2 3.74Å; R55-Y80 WeakPolarHBondContact CA-OH 3.4Å; R55-Y80 WeakPolarHBondContact CB-OH 3.3Å; R55-Y80 WeakPolarHBondContact CG-OH 3.46Å |
| 56 | A | 86.7 | Confident | 83.4 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F47 E52 A53 A54 D58 R59 S60 | F47-A56 HydrophobicContact CE1-CB 4.13Å; F47-A56 HydrophobicContact CE2-CB 3.61Å; F47-A56 HydrophobicContact CZ-CB 3.31Å; E52-A56 PolarHBondContact O-N 2.86Å; A53-A56 PolarHBondContact O-N 3.27Å; A54-A56 VanDerWaalsContact C-N 3.34Å; A56-D58 PolarHBondContact O-N 3.31Å; A56-R59 PolarHBondContact O-N 2.95Å; A56-S60 PolarHBondContact O-N 2.61Å; A56-S60 PolarHBondContact O-OG 3.35Å |
| 57 | Y | 86.1 | Confident | 82.6 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 172.2 | -179.1 | -92.1 | 0 | 0 | 0 | 112.4 | R18 E31 I32 L44 A53 A54 R55 R59 S60 A61 | R18-Y57 HydrophobicContact CB-CE1 4.34Å; R18-Y57 HydrophobicContact CG-CE1 3.89Å; R18-Y57 PolarHBondContact NE-OH 3.3Å; R18-Y57 PolarHBondContact NH2-OH 3.32Å; R18-Y57 WeakPolarHBondContact O-CD1 3.19Å; E31-Y57 VanDerWaalsContact O-CD2 3.31Å; E31-Y57 WeakPolarHBondContact O-CD2 3.3Å; E31-Y57 WeakPolarHBondContact O-CE2 3.16Å; I32-Y57 HydrophobicContact CB-CD2 4.1Å; I32-Y57 HydrophobicContact CB-CE2 3.84Å; I32-Y57 HydrophobicContact CD1-CD2 4.45Å; I32-Y57 HydrophobicContact CD1-CE2 4.05Å; I32-Y57 HydrophobicContact CG1-CD2 4.37Å; I32-Y57 HydrophobicContact CG1-CE2 3.75Å; L44-Y57 HydrophobicContact CD1-CD2 4.2Å; A53-Y57 PolarHBondContact O-N 3.26Å; A54-Y57 WeakPolarHBondContact O-CB 3.3Å; A54-Y57 PolarHBondContact O-N 3.23Å; R55-Y57 VanDerWaalsContact C-N 3.35Å; Y57-R59 PolarHBondContact O-N 2.97Å; Y57-S60 PolarHBondContact O-N 3.2Å; Y57-A61 HydrophobicContact CD1-CB 4.39Å; Y57-A61 HydrophobicContact CE1-CB 4.1Å; Y57-A61 VanDerWaalsContact O-CB 3.3Å; Y57-A61 WeakPolarHBondContact O-CB 3.47Å; Y57-A61 PolarHBondContact O-N 2.84Å |
| 58 | D | 86.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | -178.2 | -72.7 | -3.9 | 0 | 0 | 0 | 112.3 | A54 R55 A56 S60 A61 Y62 L71 N72 F73 Y80 | A54-D58 PolarHBondContact O-N 3.47Å; R55-D58 PolarHBondContact O-N 3.3Å; A56-D58 PolarHBondContact O-N 3.31Å; D58-S60 PolarHBondContact O-N 2.91Å; D58-A61 PolarHBondContact O-N 2.84Å; D58-Y62 WeakPolarHBondContact O-CB 3.35Å; D58-Y62 PolarHBondContact O-N 3.12Å; D58-L71 HydrophobicContact CB-CB 4.29Å; D58-L71 HydrophobicContact CB-CD2 3.95Å; D58-L71 HydrophobicContact CB-CG 4.49Å; D58-L71 WeakPolarHBondContact O-CD2 3.13Å; D58-L71 WeakPolarHBondContact OD1-CA 3.43Å; D58-N72 VanDerWaalsContact CG-N 3.31Å; D58-N72 PolarHBondContact OD1-N 3.38Å; D58-N72 PolarHBondContact OD1-ND2 2.92Å; D58-N72 PolarHBondContact OD2-N 2.94Å; D58-N72 VanDerWaalsContact OD2-N 3.09Å; D58-F73 WeakPolarHBondContact OD2-CD2 3.47Å; D58-F73 PolarHBondContact OD2-N 2.9Å; D58-Y80 HydrophobicContact CB-CD2 4.1Å; D58-Y80 HydrophobicContact CB-CE2 3.41Å; D58-Y80 VanDerWaalsContact CB-CE2 3.41Å |
| 59 | R | 83.3 | Confident | 81.5 | Confident | 143 Ų | 143 | 54.8 Ų | 54.8 | 54% | 0.54 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 173.4 | -71 | 171.2 | -169.2 | 168.9 | 4.4 | 111.6 | R55 A56 Y57 S63 Y80 | R55-R59 WeakPolarHBondContact O-CG 3.42Å; R55-R59 PolarHBondContact O-N 2.69Å; A56-R59 PolarHBondContact O-N 2.95Å; Y57-R59 PolarHBondContact O-N 2.97Å; R59-S63 WeakPolarHBondContact O-CB 3.17Å; R59-S63 PolarHBondContact O-N 3.26Å; R59-Y80 HydrophobicContact CB-CD1 4.38Å; R59-Y80 HydrophobicContact CG-CD1 3.38Å; R59-Y80 HydrophobicContact CG-CE1 3.37Å; R59-Y80 HydrophobicContact CG-CG 4.38Å |
| 60 | S | 82.9 | Confident | 81 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 180 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | L44 A56 Y57 D58 S63 M64 | L44-S60 WeakPolarHBondContact CD2-OG 3.33Å; A56-S60 PolarHBondContact O-N 2.61Å; A56-S60 PolarHBondContact O-OG 3.35Å; Y57-S60 PolarHBondContact O-N 3.2Å; D58-S60 PolarHBondContact O-N 2.91Å; S60-S63 WeakPolarHBondContact O-CB 3.18Å; S60-S63 PolarHBondContact O-N 2.82Å; S60-M64 VanDerWaalsContact O-CG 3.3Å; S60-M64 WeakPolarHBondContact O-CG 3.45Å; S60-M64 PolarHBondContact O-N 3.39Å |
| 61 | A | 81.7 | Confident | 80.9 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I32 Y57 D58 S63 M64 R65 A69 L71 | I32-A61 VanDerWaalsContact CD1-CA 3.48Å; I32-A61 HydrophobicContact CD1-CB 3.75Å; Y57-A61 HydrophobicContact CD1-CB 4.39Å; Y57-A61 HydrophobicContact CE1-CB 4.1Å; Y57-A61 VanDerWaalsContact O-CB 3.3Å; Y57-A61 WeakPolarHBondContact O-CB 3.47Å; Y57-A61 PolarHBondContact O-N 2.84Å; D58-A61 PolarHBondContact O-N 2.84Å; A61-S63 VanDerWaalsContact C-N 3.34Å; A61-M64 PolarHBondContact O-N 2.82Å; A61-R65 PolarHBondContact O-N 2.86Å; A61-A69 HydrophobicContact CB-CB 4.36Å; A61-A69 WeakPolarHBondContact O-CB 3.31Å; A61-L71 HydrophobicContact CB-CD2 3.99Å |
| 62 | Y | 81.3 | Confident | 80.6 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 11% | 0.106 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 175.4 | -168.5 | -86.8 | 0 | 0 | 0 | 111.4 | D58 M64 G66 L71 A81 C84 | D58-Y62 WeakPolarHBondContact O-CB 3.35Å; D58-Y62 PolarHBondContact O-N 3.12Å; Y62-M64 VanDerWaalsContact C-N 3.33Å; Y62-M64 PolarHBondContact O-N 3.13Å; Y62-G66 WeakPolarHBondContact CD2-O 3.26Å; Y62-G66 WeakPolarHBondContact O-CA 3.19Å; Y62-G66 PolarHBondContact O-N 2.88Å; Y62-L71 HydrophobicContact CD2-CD1 4.11Å; Y62-A81 HydrophobicContact CE1-CB 4.11Å; Y62-A81 HydrophobicContact CE2-CB 4.46Å; Y62-A81 WeakPolarHBondContact OH-CB 3.45Å; Y62-C84 VanDerWaalsContact CD1-SG 3.55Å; Y62-C84 HydrophobicContact CE1-CB 4.19Å |
| 63 | S | 76 | Confident | 80.4 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 63% | 0.629 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.8 | -39 | 173.8 | -163.1 | 0 | 0 | 0 | 0 | 112.3 | R59 S60 A61 | R59-S63 WeakPolarHBondContact O-CB 3.17Å; R59-S63 PolarHBondContact O-N 3.26Å; S60-S63 WeakPolarHBondContact O-CB 3.18Å; S60-S63 PolarHBondContact O-N 2.82Å; A61-S63 VanDerWaalsContact C-N 3.34Å |
| 64 | M | 69.9 | Low | 79.8 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -79.7 | -40 | -176.6 | -68 | 171.4 | 69.7 | 0 | 0 | 114.6 | I32 D34 S60 A61 Y62 | I32-M64 HydrophobicContact CD1-SD 3.47Å; I32-M64 WeakPolarHBondContact CD1-SD 3.26Å; I32-M64 HydrophobicContact CG1-SD 3.92Å; I32-M64 HydrophobicContact CG2-SD 4.12Å; D34-M64 HydrophobicContact CB-CE 3.41Å; D34-M64 VanDerWaalsContact CB-CE 3.41Å; D34-M64 WeakPolarHBondContact OD2-CE 3.46Å; S60-M64 VanDerWaalsContact O-CG 3.3Å; S60-M64 WeakPolarHBondContact O-CG 3.45Å; S60-M64 PolarHBondContact O-N 3.39Å; A61-M64 PolarHBondContact O-N 2.82Å; Y62-M64 VanDerWaalsContact C-N 3.33Å; Y62-M64 PolarHBondContact O-N 3.13Å |
| 65 | R | 71.6 | Confident | 79.3 | Confident | 155 Ų | 155 | 61.4 Ų | 61.4 | 59% | 0.585 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -110.8 | -6.6 | -175 | -160.7 | -175.7 | -91.6 | -164.2 | -8.6 | 112.9 | A61 N68 A69 | A61-R65 PolarHBondContact O-N 2.86Å; R65-N68 VanDerWaalsContact CD-C 3.49Å; R65-N68 WeakPolarHBondContact CD-O 3.22Å; R65-N68 HydrophobicContact CG-CB 4.06Å; R65-N68 PolarHBondContact O-N 3.18Å; R65-A69 HydrophobicContact CB-CB 4.01Å |
| 66 | G | 73.2 | Confident | 78.6 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 27% | 0.268 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | 65.6 | -143.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y62 N68 A69 | Y62-G66 WeakPolarHBondContact CD2-O 3.26Å; Y62-G66 WeakPolarHBondContact O-CA 3.19Å; Y62-G66 PolarHBondContact O-N 2.88Å; G66-N68 PolarHBondContact O-N 2.87Å; G66-A69 WeakPolarHBondContact O-CB 3.48Å; G66-A69 PolarHBondContact O-N 3.24Å |
| 67 | A | 71.8 | Confident | 77.7 | Confident | 84 Ų | 84 | 59.9 Ų | 59.9 | 69% | 0.694 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -61.3 | -16.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A69 | A67-A69 VanDerWaalsContact C-N 3.31Š|
| 68 | N | 70.9 | Confident | 76.9 | Confident | 134 Ų | 134 | 66.6 Ų | 66.6 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -89.7 | 4.2 | 178.1 | -64.4 | -30.3 | 0 | 0 | 0 | 112.8 | R65 G66 | R65-N68 VanDerWaalsContact CD-C 3.49Å; R65-N68 WeakPolarHBondContact CD-O 3.22Å; R65-N68 HydrophobicContact CG-CB 4.06Å; R65-N68 PolarHBondContact O-N 3.18Å; G66-N68 PolarHBondContact O-N 2.87Å |
| 69 | A | 77.8 | Confident | 76.2 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | trans | -63.6 | 135.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A61 R65 G66 A67 L71 | A61-A69 HydrophobicContact CB-CB 4.36Å; A61-A69 WeakPolarHBondContact O-CB 3.31Å; R65-A69 HydrophobicContact CB-CB 4.01Å; G66-A69 WeakPolarHBondContact O-CB 3.48Å; G66-A69 PolarHBondContact O-N 3.24Å; A67-A69 VanDerWaalsContact C-N 3.31Å; A69-L71 HydrophobicContact CB-CD2 3.59Å; A69-L71 HydrophobicContact CB-CG 4.24Å; A69-L71 PolarHBondContact O-N 2.99Å | ||
| 70 | V | 76.8 | Confident | 75.6 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | trans | -88.1 | 103.9 | 170.6 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 71 | L | 84.3 | Confident | 74.8 | Confident | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | trans | -97.6 | 159 | -177.4 | -52.3 | -173.7 | 0 | 0 | 0 | 111.1 | D58 A61 Y62 A69 A77 Y80 | D58-L71 HydrophobicContact CB-CB 4.29Å; D58-L71 HydrophobicContact CB-CD2 3.95Å; D58-L71 HydrophobicContact CB-CG 4.49Å; D58-L71 WeakPolarHBondContact O-CD2 3.13Å; D58-L71 WeakPolarHBondContact OD1-CA 3.43Å; A61-L71 HydrophobicContact CB-CD2 3.99Å; Y62-L71 HydrophobicContact CD2-CD1 4.11Å; A69-L71 HydrophobicContact CB-CD2 3.59Å; A69-L71 HydrophobicContact CB-CG 4.24Å; A69-L71 PolarHBondContact O-N 2.99Å; L71-A77 HydrophobicContact CD1-CB 3.84Å; L71-Y80 HydrophobicContact CD1-CD2 3.79Å; L71-Y80 HydrophobicContact CD1-CE2 4.2Å | ||
| 72 | N | 83 | Confident | 74 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.193 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -77.6 | -38.6 | 170.6 | -66.4 | -75.5 | 0 | 0 | 0 | 111.7 | Y17 R18 A54 D58 P74 | Y17-N72 WeakPolarHBondContact CA-OD1 3.25Å; Y17-N72 HydrophobicContact CD1-CB 4.1Å; R18-N72 WeakPolarHBondContact CB-OD1 3.38Å; R18-N72 PolarHBondContact N-OD1 2.82Å; R18-N72 PolarHBondContact O-ND2 3.28Å; A54-N72 HydrophobicContact CB-CB 4.41Å; D58-N72 VanDerWaalsContact CG-N 3.31Å; D58-N72 PolarHBondContact OD1-N 3.38Å; D58-N72 PolarHBondContact OD1-ND2 2.92Å; D58-N72 PolarHBondContact OD2-N 2.94Å; D58-N72 VanDerWaalsContact OD2-N 3.09Å; N72-P74 VanDerWaalsContact O-CD 3.31Å; N72-P74 WeakPolarHBondContact O-CD 3.35Å |
| 73 | F | 81.7 | Confident | 73.2 | Confident | 25 Ų | 25 | 67 Ų | 67 | 11% | 0.11 | 40% | 0.401 | C | S | . | . | trans | -115.8 | 84.9 | -178.1 | -55.4 | -72.5 | 0 | 0 | 0 | 109.9 | Y17 E51 A54 R55 D58 E75 D76 | Y17-F73 HydrophobicContact CD1-CE1 4.41Å; Y17-F73 HydrophobicContact CD1-CE2 4.4Å; Y17-F73 AromaticContact CD1-CZ 3.88Å; Y17-F73 HydrophobicContact CD1-CZ 3.88Å; Y17-F73 AromaticContact CE1-CE1 3.7Å; Y17-F73 HydrophobicContact CE1-CE1 3.7Å; Y17-F73 HydrophobicContact CE1-CE2 4.38Å; Y17-F73 AromaticContact CE1-CZ 3.44Å; Y17-F73 HydrophobicContact CE1-CZ 3.44Å; Y17-F73 VanDerWaalsContact CE1-CZ 3.44Å; Y17-F73 AromaticContact CZ-CZ 3.99Å; E51-F73 HydrophobicContact CB-CZ 4.45Å; A54-F73 HydrophobicContact CB-CD2 4.44Å; A54-F73 HydrophobicContact CB-CE2 3.5Å; A54-F73 VanDerWaalsContact CB-CE2 3.5Å; A54-F73 HydrophobicContact CB-CZ 4.12Å; R55-F73 HydrophobicContact CG-CD2 3.72Å; R55-F73 HydrophobicContact CG-CE2 3.74Å; D58-F73 WeakPolarHBondContact OD2-CD2 3.47Å; D58-F73 PolarHBondContact OD2-N 2.9Å; F73-E75 WeakPolarHBondContact CA-OE2 3.48Å; F73-E75 HydrophobicContact CB-CG 4.41Å; F73-E75 WeakPolarHBondContact CD1-OE1 3.35Å; F73-E75 PolarHBondContact O-N 3.38Å; F73-D76 HydrophobicContact CB-CB 4.14Å; F73-D76 PolarHBondContact O-N 3.39Å; F73-D76 VanDerWaalsContact O-N 3.13Å | ||
| 74 | P | 75.1 | Confident | 72.2 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 58% | 0.584 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -61 | -25.5 | 175.4 | 26.3 | -34.9 | 0 | 0 | 0 | 112.6 | N72 D76 A77 | N72-P74 VanDerWaalsContact O-CD 3.31Å; N72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-D76 VanDerWaalsContact C-N 3.26Å; P74-D76 PolarHBondContact O-N 2.92Å; P74-A77 WeakPolarHBondContact O-CB 3.35Å; P74-A77 PolarHBondContact O-N 3.45Å; P74-A77 VanDerWaalsContact O-N 3.12Å |
| 75 | E | 77.7 | Confident | 71.5 | Confident | 124 Ų | 124 | 72 Ų | 72 | 58% | 0.579 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -61 | -34.3 | 174.2 | 62.1 | -87.3 | -155.3 | 0 | 0 | 112.8 | F73 A77 | F73-E75 WeakPolarHBondContact CA-OE2 3.48Å; F73-E75 HydrophobicContact CB-CG 4.41Å; F73-E75 WeakPolarHBondContact CD1-OE1 3.35Å; F73-E75 PolarHBondContact O-N 3.38Å; E75-A77 VanDerWaalsContact C-N 3.32Å |
| 76 | D | 73.5 | Confident | 70.5 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -87.4 | -3.2 | 178.6 | -74.7 | -34.8 | 0 | 0 | 0 | 112.1 | F73 P74 H78 A79 Y80 | F73-D76 HydrophobicContact CB-CB 4.14Å; F73-D76 PolarHBondContact O-N 3.39Å; F73-D76 VanDerWaalsContact O-N 3.13Å; P74-D76 VanDerWaalsContact C-N 3.26Å; P74-D76 PolarHBondContact O-N 2.92Å; D76-H78 PolarHBondContact O-N 3.49Å; D76-A79 WeakPolarHBondContact O-CA 3.34Å; D76-A79 WeakPolarHBondContact O-CB 3.44Å; D76-A79 PolarHBondContact O-N 3.05Å; D76-Y80 HydrophobicContact CB-CD2 4.24Å; D76-Y80 HydrophobicContact CB-CE1 4.36Å; D76-Y80 HydrophobicContact CB-CE2 3.46Å; D76-Y80 VanDerWaalsContact CB-CE2 3.46Å; D76-Y80 WeakPolarHBondContact O-CD2 3.32Å; D76-Y80 PolarHBondContact O-N 2.88Å |
| 77 | A | 67.6 | Low | 69.4 | Low | 25 Ų | 25 | 72.8 Ų | 72.8 | 21% | 0.207 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -56 | -37.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L71 P74 E75 A79 Y80 A81 | L71-A77 HydrophobicContact CD1-CB 3.84Å; P74-A77 WeakPolarHBondContact O-CB 3.35Å; P74-A77 PolarHBondContact O-N 3.45Å; P74-A77 VanDerWaalsContact O-N 3.12Å; E75-A77 VanDerWaalsContact C-N 3.32Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A77-Y80 PolarHBondContact O-N 3.33Å; A77-A81 VanDerWaalsContact O-CB 3.3Å; A77-A81 WeakPolarHBondContact O-CB 3.38Å; A77-A81 PolarHBondContact O-N 3.36Å |
| 78 | H | 67.9 | Low | 67.9 | Low | 154 Ų | 154 | 71.1 Ų | 71.1 | 71% | 0.713 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.6 | -35.2 | 174.7 | -69.7 | -74.3 | 0 | 0 | 0 | 112.6 | D76 A81 A82 | D76-H78 PolarHBondContact O-N 3.49Å; H78-A81 PolarHBondContact O-N 2.85Å; H78-A82 VanDerWaalsContact O-CB 3.3Å; H78-A82 WeakPolarHBondContact O-CB 3.32Å; H78-A82 PolarHBondContact O-N 2.89Å |
| 79 | A | 72.7 | Confident | 66.6 | Low | 55 Ų | 55 | 70.3 Ų | 70.3 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D76 A77 A82 A83 | D76-A79 WeakPolarHBondContact O-CA 3.34Å; D76-A79 WeakPolarHBondContact O-CB 3.44Å; D76-A79 PolarHBondContact O-N 3.05Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A79-A82 PolarHBondContact O-N 2.94Å; A79-A83 WeakPolarHBondContact O-CB 3.16Å; A79-A83 PolarHBondContact O-N 2.94Å |
| 80 | Y | 70.1 | Confident | 64.8 | Low | 10 Ų | 10 | 74.6 Ų | 74.6 | 4% | 0.039 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 173.6 | -52.9 | -44.4 | 0 | 0 | 0 | 111.6 | R55 D58 R59 L71 D76 A77 A82 A83 C84 | R55-Y80 WeakPolarHBondContact CA-OH 3.4Å; R55-Y80 WeakPolarHBondContact CB-OH 3.3Å; R55-Y80 WeakPolarHBondContact CG-OH 3.46Å; D58-Y80 HydrophobicContact CB-CD2 4.1Å; D58-Y80 HydrophobicContact CB-CE2 3.41Å; D58-Y80 VanDerWaalsContact CB-CE2 3.41Å; R59-Y80 HydrophobicContact CB-CD1 4.38Å; R59-Y80 HydrophobicContact CG-CD1 3.38Å; R59-Y80 HydrophobicContact CG-CE1 3.37Å; R59-Y80 HydrophobicContact CG-CG 4.38Å; L71-Y80 HydrophobicContact CD1-CD2 3.79Å; L71-Y80 HydrophobicContact CD1-CE2 4.2Å; D76-Y80 HydrophobicContact CB-CD2 4.24Å; D76-Y80 HydrophobicContact CB-CE1 4.36Å; D76-Y80 HydrophobicContact CB-CE2 3.46Å; D76-Y80 VanDerWaalsContact CB-CE2 3.46Å; D76-Y80 WeakPolarHBondContact O-CD2 3.32Å; D76-Y80 PolarHBondContact O-N 2.88Å; A77-Y80 PolarHBondContact O-N 3.33Å; Y80-A82 VanDerWaalsContact C-N 3.35Å; Y80-A82 PolarHBondContact O-N 3.02Å; Y80-A83 WeakPolarHBondContact O-CB 3.36Å; Y80-A83 PolarHBondContact O-N 2.86Å; Y80-C84 PolarHBondContact O-N 2.94Å; Y80-C84 PolarHBondContact O-SG 3.23Å |
| 81 | A | 66.3 | Low | 63.3 | Low | 14 Ų | 14 | 76.2 Ų | 76.2 | 12% | 0.116 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y62 A77 H78 A83 C84 R85 | Y62-A81 HydrophobicContact CE1-CB 4.11Å; Y62-A81 HydrophobicContact CE2-CB 4.46Å; Y62-A81 WeakPolarHBondContact OH-CB 3.45Å; A77-A81 VanDerWaalsContact O-CB 3.3Å; A77-A81 WeakPolarHBondContact O-CB 3.38Å; A77-A81 PolarHBondContact O-N 3.36Å; H78-A81 PolarHBondContact O-N 2.85Å; A81-A83 VanDerWaalsContact C-N 3.34Å; A81-C84 PolarHBondContact O-N 3.48Å; A81-R85 VanDerWaalsContact O-CB 3.26Å; A81-R85 WeakPolarHBondContact O-CB 3.46Å; A81-R85 WeakPolarHBondContact O-CG 3.17Å; A81-R85 PolarHBondContact O-N 2.86Å |
| 82 | A | 65.2 | Low | 61.4 | Low | 60 Ų | 60 | 79.8 Ų | 79.8 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H78 A79 Y80 R85 G86 | H78-A82 VanDerWaalsContact O-CB 3.3Å; H78-A82 WeakPolarHBondContact O-CB 3.32Å; H78-A82 PolarHBondContact O-N 2.89Å; A79-A82 PolarHBondContact O-N 2.94Å; Y80-A82 VanDerWaalsContact C-N 3.35Å; Y80-A82 PolarHBondContact O-N 3.02Å; A82-R85 CarbonylContact O-C 3.48Å; A82-R85 PolarHBondContact O-N 3.21Å; A82-G86 WeakPolarHBondContact O-CA 3.45Å; A82-G86 PolarHBondContact O-N 3.38Å |
| 83 | A | 64.6 | Low | 59.3 | Low | 79 Ų | 79 | 83 Ų | 83 | 65% | 0.653 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A79 Y80 A81 | A79-A83 WeakPolarHBondContact O-CB 3.16Å; A79-A83 PolarHBondContact O-N 2.94Å; Y80-A83 WeakPolarHBondContact O-CB 3.36Å; Y80-A83 PolarHBondContact O-N 2.86Å; A81-A83 VanDerWaalsContact C-N 3.34Å |
| 84 | C | 55.3 | Low | 57.3 | Low | 77 Ų | 77 | 86.2 Ų | 86.2 | 52% | 0.52 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.7 | -26.3 | 176.4 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | Y62 Y80 A81 | Y62-C84 VanDerWaalsContact CD1-SG 3.55Å; Y62-C84 HydrophobicContact CE1-CB 4.19Å; Y80-C84 PolarHBondContact O-N 2.94Å; Y80-C84 PolarHBondContact O-SG 3.23Å; A81-C84 PolarHBondContact O-N 3.48Å |
| 85 | R | 54.3 | Low | 56.1 | Low | 190 Ų | 190 | 92.5 Ų | 92.5 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -94.9 | -0.7 | 178.1 | -66.7 | 175.5 | -176.1 | -142.2 | 1.9 | 113 | A81 A82 S87 G88 | A81-R85 VanDerWaalsContact O-CB 3.26Å; A81-R85 WeakPolarHBondContact O-CB 3.46Å; A81-R85 WeakPolarHBondContact O-CG 3.17Å; A81-R85 PolarHBondContact O-N 2.86Å; A82-R85 CarbonylContact O-C 3.48Å; A82-R85 PolarHBondContact O-N 3.21Å; R85-S87 PolarHBondContact O-N 3Å; R85-G88 PolarHBondContact O-N 2.68Å |
| 86 | G | 49.9 | Very low | 54.4 | Low | 61 Ų | 61 | 93.3 Ų | 93.3 | 63% | 0.629 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 8.7 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | A82 | A82-G86 WeakPolarHBondContact O-CA 3.45Å; A82-G86 PolarHBondContact O-N 3.38Å |
| 87 | S | 51.1 | Low | 53.2 | Low | 137 Ų | 137 | 100.2 Ų | 100.2 | 96% | 0.958 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 3.2 | 167.7 | -61.3 | 0 | 0 | 0 | 0 | 113.5 | R85 | R85-S87 PolarHBondContact O-N 3Š|
| 88 | G | 39.4 | Very low | 52 | Low | 49 Ų | 49 | 107.4 Ų | 107.4 | 51% | 0.505 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -153.6 | 115.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R85 | R85-G88 PolarHBondContact O-N 2.68Š|
| 89 | S | 44.1 | Very low | 51 | Low | 116 Ų | 116 | 109.1 Ų | 109.1 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | trans | 97.9 | 105.1 | 156.5 | -37.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 90 | S | 40.3 | Very low | 49.4 | Very low | 108 Ų | 108 | 114.9 Ų | 114.9 | 76% | 0.755 | 66% | 0.658 | S | S | * | * | trans | 70.1 | 107.7 | 138.2 | 57 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 91 | S | 44.5 | Very low | 48.2 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | 128.4 | 122.8 | 116.8 | 65.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 92 | S | 44.9 | Very low | 47 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | 64.7 | 98.1 | 151 | 46.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 93 | S | 39.7 | Very low | 45.3 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | 82.4 | 124.5 | 80.6 | 68.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 94 | S | 40.2 | Very low | 44 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | 73 | 114.7 | 153.2 | 64.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 95 | R | 48.4 | Very low | 42.7 | Very low | 223 Ų | 223 | 132.2 Ų | 132.2 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | 160.3 | 112.1 | 121.7 | -81.3 | 154.3 | -160.8 | -150.9 | 4.5 | 108.7 | |||||
| 96 | H | 43 | Very low | 41.8 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 65% | 0.648 | 77% | 0.769 | S | S | * | * | 56.7 | 105.6 | 95.4 | 151.3 | 76 | 0 | 0 | 0 | 112.2 | |||||
| 97 | R | 47.7 | Very low | 40.8 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 75% | 0.751 | 78% | 0.779 | S | S | * | * | 165.9 | 131.7 | 113.7 | -168.7 | 175.1 | -76.5 | -153.1 | -6.9 | 110.6 | |||||
| 98 | Q | 42.4 | Very low | 39.9 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -43.1 | 138.2 | 165.9 | -71.7 | 153.7 | -44.9 | 0 | 0 | 113.1 | ||||
| 99 | Q | 47.9 | Very low | 39.6 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | -159.3 | 108.4 | 120.1 | -112.9 | 168.6 | 40 | 0 | 0 | 110.5 | |||||
| 100 | Q | 39.1 | Very low | 38.9 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -62.8 | 134 | 152.2 | -67.7 | 166.4 | 5.5 | 0 | 0 | 107.2 | ||||
| 101 | Q | 43.7 | Very low | 38.6 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 176.2 | 128.6 | 115.1 | -93.9 | 166.1 | 90 | 0 | 0 | 112.8 | |||||
| 102 | Q | 41.1 | Very low | 38.2 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 78.9 | 88.4 | 147.3 | -61.5 | 178.2 | 58.5 | 0 | 0 | 116.4 | ||||
| 103 | G | 29.9 | Very low | 37.8 | Very low | 89 Ų | 89 | 148 Ų | 148 | 92% | 0.918 | 75% | 0.753 | S | S | * | * | trans | -62.5 | 131.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 104 | S | 36.8 | Very low | 37.8 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -133.1 | 96.7 | 162.7 | 171.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 105 | G | 29.3 | Very low | 37.6 | Very low | 65 Ų | 65 | 147.3 Ų | 147.3 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | trans | 66.9 | 105.2 | 137.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 106 | R | 35.6 | Very low | 37.4 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | 89 | 104.8 | 140.4 | -58 | -179.8 | 177.9 | 133.5 | 0.4 | 116.7 | V108 | R106-V108 PolarHBondContact O-N 3.49Š| ||
| 107 | D | 28.6 | Very low | 37.5 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | trans | -37.1 | 119.3 | 153.7 | -51.6 | -81.6 | 0 | 0 | 0 | 111.8 | ||||
| 108 | V | 30.6 | Very low | 37.4 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | trans | -133.5 | 89.1 | 161.8 | -178.8 | 0 | 0 | 0 | 0 | 106.5 | R106 E110 | R106-V108 PolarHBondContact O-N 3.49Å; V108-E110 HydrophobicContact CG1-CG 3.82Å | ||
| 109 | I | 34.4 | Very low | 37.6 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | trans | -100.1 | 92.2 | 163.3 | -56.7 | 175 | 0 | 0 | 0 | 104.5 | L111 | I109-L111 HydrophobicContact CG2-CD1 3.86Å; I109-L111 HydrophobicContact CG2-CG 4.03Å; I109-L111 PolarHBondContact O-N 2.87Å | ||
| 110 | E | 29.1 | Very low | 37.4 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 73% | 0.729 | 68% | 0.679 | S | S | * | * | trans | -91.1 | 88.8 | 169 | -68.8 | -160.6 | 147.3 | 0 | 0 | 108.8 | V108 | V108-E110 HydrophobicContact CG1-CG 3.82Š| ||
| 111 | L | 35 | Very low | 37.7 | Very low | 120 Ų | 120 | 127 Ų | 127 | 63% | 0.628 | 67% | 0.668 | S | S | * | * | trans | -61.9 | 122.5 | 155.7 | -70.6 | 131.8 | 0 | 0 | 0 | 108.2 | I109 L114 | I109-L111 HydrophobicContact CG2-CD1 3.86Å; I109-L111 HydrophobicContact CG2-CG 4.03Å; I109-L111 PolarHBondContact O-N 2.87Å; L111-L114 HydrophobicContact CD2-CD1 4.05Å | ||
| 112 | E | 34.4 | Very low | 37.7 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -177.8 | 110.6 | 155.9 | -103.8 | 168.1 | -142.2 | 0 | 0 | 104.2 | ||||
| 113 | Y | 37.7 | Very low | 37.9 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 52% | 0.518 | 66% | 0.661 | S | S | . | * | cis | -140.9 | 109.5 | 27.7 | -62.8 | -135.7 | 0 | 0 | 0 | 105.5 | ||||
| 114 | L | 39.6 | Very low | 38.8 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 35% | 0.351 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -69.3 | 124.4 | 149 | -78.1 | 156.9 | 0 | 0 | 0 | 103.7 | L111 D116 V118 L119 | L111-L114 HydrophobicContact CD2-CD1 4.05Å; L114-D116 PolarHBondContact O-N 3.41Å; L114-V118 HydrophobicContact CD2-CB 4.49Å; L114-V118 HydrophobicContact CD2-CG1 3.77Å; L114-L119 HydrophobicContact CB-CD1 4.16Å; L114-L119 HydrophobicContact CB-CD2 3.68Å; L114-L119 HydrophobicContact CB-CG 3.48Å; L114-L119 VanDerWaalsContact CB-CG 3.48Å; L114-L119 HydrophobicContact CD1-CD2 3.61Å; L114-L119 HydrophobicContact CD1-CG 4.37Å; L114-L119 HydrophobicContact CG-CD2 4.29Å; L114-L119 WeakPolarHBondContact O-CD1 3.04Å |
| 115 | D | 35.5 | Very low | 39.2 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | trans | -41.9 | 139.3 | 174.3 | -78.9 | -66.9 | 0 | 0 | 0 | 109 | E117 V118 L119 | D115-E117 CarbonylContact O-C 3.52Å; D115-E117 PolarHBondContact O-N 3.31Å; D115-V118 HydrophobicContact CB-CB 4.34Å; D115-V118 HydrophobicContact CB-CG2 4.05Å; D115-V118 PolarHBondContact O-N 2.86Å; D115-L119 PolarHBondContact O-N 3.01Å | ||
| 116 | D | 43.9 | Very low | 40 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 66% | 0.663 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -52.1 | -24.5 | 178.1 | -63.4 | -66.9 | 0 | 0 | 0 | 111.1 | L114 Q120 | L114-D116 PolarHBondContact O-N 3.41Å; D116-Q120 WeakPolarHBondContact O-CB 3.33Å; D116-Q120 WeakPolarHBondContact O-CG 3.27Å; D116-Q120 PolarHBondContact O-N 3.03Å; D116-Q120 PolarHBondContact O-NE2 2.91Å |
| 117 | E | 46.3 | Very low | 40.3 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.4 | -36.3 | 173.1 | -59.5 | -157.9 | 155.8 | 0 | 0 | 114.6 | D115 Q120 E121 | D115-E117 CarbonylContact O-C 3.52Å; D115-E117 PolarHBondContact O-N 3.31Å; E117-Q120 PolarHBondContact O-N 3.3Å; E117-E121 WeakPolarHBondContact O-CB 3.4Å; E117-E121 PolarHBondContact O-N 3.23Å |
| 118 | V | 45.3 | Very low | 41.3 | Very low | 54 Ų | 54 | 128 Ų | 128 | 33% | 0.327 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -79.2 | -31.7 | 178.4 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | L114 D115 Q120 E121 M122 | L114-V118 HydrophobicContact CD2-CB 4.49Å; L114-V118 HydrophobicContact CD2-CG1 3.77Å; D115-V118 HydrophobicContact CB-CB 4.34Å; D115-V118 HydrophobicContact CB-CG2 4.05Å; D115-V118 PolarHBondContact O-N 2.86Å; V118-Q120 VanDerWaalsContact C-N 3.32Å; V118-E121 PolarHBondContact O-N 2.74Å; V118-M122 PolarHBondContact O-N 2.61Å |
| 119 | L | 45.9 | Very low | 41.7 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.8 | -41.7 | 166.7 | -77.2 | 170.3 | 0 | 0 | 0 | 111.4 | L114 D115 L123 | L114-L119 HydrophobicContact CB-CD1 4.16Å; L114-L119 HydrophobicContact CB-CD2 3.68Å; L114-L119 HydrophobicContact CB-CG 3.48Å; L114-L119 VanDerWaalsContact CB-CG 3.48Å; L114-L119 HydrophobicContact CD1-CD2 3.61Å; L114-L119 HydrophobicContact CD1-CG 4.37Å; L114-L119 HydrophobicContact CG-CD2 4.29Å; L114-L119 WeakPolarHBondContact O-CD1 3.04Å; D115-L119 PolarHBondContact O-N 3.01Å; L119-L123 VanDerWaalsContact O-CB 3.26Å; L119-L123 WeakPolarHBondContact O-CB 3.28Å; L119-L123 PolarHBondContact O-N 3.44Å |
| 120 | Q | 43.4 | Very low | 42.3 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 61% | 0.607 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.1 | -32.8 | 176.5 | -75.9 | 175.3 | 71.7 | 0 | 0 | 111.9 | D116 E117 V118 R124 | D116-Q120 WeakPolarHBondContact O-CB 3.33Å; D116-Q120 WeakPolarHBondContact O-CG 3.27Å; D116-Q120 PolarHBondContact O-N 3.03Å; D116-Q120 PolarHBondContact O-NE2 2.91Å; E117-Q120 PolarHBondContact O-N 3.3Å; V118-Q120 VanDerWaalsContact C-N 3.32Å; Q120-R124 WeakPolarHBondContact O-CB 3.33Å; Q120-R124 PolarHBondContact O-N 3.46Å |
| 121 | E | 45.7 | Very low | 43.4 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.3 | -36.8 | 176.4 | -166.7 | 171.5 | -164.6 | 0 | 0 | 112.9 | E117 V118 R124 N125 | E117-E121 WeakPolarHBondContact O-CB 3.4Å; E117-E121 PolarHBondContact O-N 3.23Å; V118-E121 PolarHBondContact O-N 2.74Å; E121-R124 PolarHBondContact O-N 3.36Å; E121-N125 PolarHBondContact O-ND2 3.49Å |
| 122 | M | 43.2 | Very low | 44.1 | Very low | 132 Ų | 132 | 122 Ų | 122 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.3 | -33.3 | 172 | -72.4 | -172.1 | 77.1 | 0 | 0 | 112.7 | V118 R124 | V118-M122 PolarHBondContact O-N 2.61Å; M122-R124 VanDerWaalsContact C-N 3.35Å |
| 123 | L | 46.6 | Very low | 45.1 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.4 | -21.7 | 175.7 | -167.1 | 64.7 | 0 | 0 | 0 | 112.8 | L119 | L119-L123 VanDerWaalsContact O-CB 3.26Å; L119-L123 WeakPolarHBondContact O-CB 3.28Å; L119-L123 PolarHBondContact O-N 3.44Å |
| 124 | R | 47.5 | Very low | 45.7 | Very low | 208 Ų | 208 | 130.1 Ų | 130.1 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -80.4 | -14.4 | 180 | -166.8 | 167.7 | -171.4 | 175.2 | 1.9 | 114.2 | Q120 E121 M122 | Q120-R124 WeakPolarHBondContact O-CB 3.33Å; Q120-R124 PolarHBondContact O-N 3.46Å; E121-R124 PolarHBondContact O-N 3.36Å; M122-R124 VanDerWaalsContact C-N 3.35Å |
| 125 | N | 46.9 | Very low | 46.6 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 8.6 | -174.5 | -68 | -49.5 | 0 | 0 | 0 | 114.4 | E121 | E121-N125 PolarHBondContact O-ND2 3.49Š|
| 126 | H | 45.2 | Very low | 47.6 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | -120.9 | 51.7 | 174.9 | -161.3 | -86 | 0 | 0 | 0 | 111.3 | P128 | H126-P128 WeakPolarHBondContact O-CD 3.29Š| ||
| 127 | E | 42 | Very low | 47.8 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -71.2 | 111.8 | 154.2 | -90.7 | -77.6 | 110.9 | 0 | 0 | 107.2 | S129 | E127-S129 PolarHBondContact O-N 3.11Š| ||
| 128 | P | 48.8 | Very low | 47.9 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 51% | 0.513 | 72% | 0.72 | S | S | . | * | trans | -64.5 | 105.8 | 166.4 | 28.1 | -30.7 | 0 | 0 | 0 | 106.5 | H126 S130 | H126-P128 WeakPolarHBondContact O-CD 3.29Å; P128-S130 VanDerWaalsContact C-N 3.27Å; P128-S130 PolarHBondContact O-N 3.23Å; P128-S130 PolarHBondContact O-OG 2.57Å | ||
| 129 | S | 39 | Very low | 48 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -26 | 89 | 159.1 | 163.1 | 0 | 0 | 0 | 0 | 111.2 | E127 | E127-S129 PolarHBondContact O-N 3.11Š| ||
| 130 | S | 48.3 | Very low | 48.2 | Very low | 104 Ų | 104 | 151.2 Ų | 151.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -107.8 | 76.1 | 176 | -61 | 0 | 0 | 0 | 0 | 107 | P128 | P128-S130 VanDerWaalsContact C-N 3.27Å; P128-S130 PolarHBondContact O-N 3.23Å; P128-S130 PolarHBondContact O-OG 2.57Å | ||
| 131 | S | 50.8 | Low | 48.5 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 34.9 | 99.1 | 133.6 | -155.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 132 | A | 50.1 | Low | 48.7 | Very low | 80 Ų | 80 | 154.3 Ų | 154.3 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | 31.8 | 112.3 | 125.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 133 | R | 55.8 | Low | 49 | Very low | 249 Ų | 249 | 155.9 Ų | 155.9 | 94% | 0.94 | 79% | 0.791 | S | S | * | * | trans | -157.7 | 99.2 | 134.9 | -94.3 | 131.7 | -163.7 | -95.3 | 3.7 | 110.4 | ||||
| 134 | K | 49.9 | Very low | 49.2 | Very low | 203 Ų | 203 | 156.8 Ų | 156.8 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -72.2 | 128.9 | 158.9 | 179.6 | 167.7 | -177.5 | 170.6 | 0 | 109.2 | ||||
| 135 | K | 57.6 | Low | 49.4 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -168 | 106 | 147.3 | -109.2 | -175 | 176.8 | -173.1 | 0 | 105.1 | ||||
| 136 | M | 58.2 | Low | 49.6 | Very low | 253 Ų | 253 | 154.5 Ų | 154.5 | 100% | 1.246 | 80% | 0.803 | S | S | * | * | 71.7 | 0 | 98.5 | -84.4 | -178.9 | 154.9 | 0 | 0 | 111.2 |
Retrieved 136 of 136 residues in 50.3 ms
(Link to these results)