| 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 | 30.8 | Very low | 37.7 | Very low | 228 Ų | 228 | 124 Ų | 124 | 100% | 1.123 | 63% | 0.63 | S | S | * | * | 0 | 111.2 | 0 | -74.8 | 179 | -167.4 | 0 | 0 | 107.3 | H3 | M1-H3 PolarHBondContact O-N 3.5Š| |||
| 2 | H | 29.7 | Very low | 39.3 | Very low | 68 Ų | 68 | 123.3 Ų | 123.3 | 32% | 0.315 | 62% | 0.619 | S | S | . | * | trans | -73.2 | 113.9 | -174.6 | -75 | -121.5 | 0 | 0 | 0 | 108.8 | W4 S143 | H2-W4 PolarHBondContact O-N 3.25Å; H2-S143 PolarHBondContact CE1-O 3.48Å; H2-S143 PolarHBondContact ND1-O 3.05Å | ||
| 3 | H | 31.3 | Very low | 40.9 | Very low | 164 Ų | 164 | 121.8 Ų | 121.8 | 76% | 0.759 | 61% | 0.609 | S | S | * | * | trans | -62.9 | 102.2 | 173.5 | -92.5 | -90 | 0 | 0 | 0 | 108.2 | M1 Y5 | M1-H3 PolarHBondContact O-N 3.5Å; H3-Y5 PolarHBondContact O-N 2.9Å | ||
| 4 | W | 40.4 | Very low | 42.3 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 53% | 0.534 | 63% | 0.627 | S | S | . | * | trans | -52.1 | 112.8 | 148 | -67 | 85 | 0 | 0 | 0 | 106.1 | H2 A6 C112 | H2-W4 PolarHBondContact O-N 3.25Å; W4-A6 HydrophobicContact CB-CB 4.08Å; W4-A6 PolarHBondContact O-N 3.03Å; W4-C112 WeakPolarHBondContact CH2-SG 3.29Å | ||
| 5 | Y | 35.6 | Very low | 44.1 | Very low | 172 Ų | 172 | 119.3 Ų | 119.3 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | trans | -72.8 | 55.5 | 150.6 | -69.6 | -81.8 | 0 | 0 | 0 | 107.7 | H3 N7 G137 | H3-Y5 PolarHBondContact O-N 2.9Å; Y5-N7 PolarHBondContact O-N 3.33Å; Y5-G137 VanDerWaalsContact O-CA 3.3Å; Y5-G137 WeakPolarHBondContact O-CA 3.15Å | ||
| 6 | A | 34.7 | Very low | 46.1 | Very low | 46 Ų | 46 | 112.9 Ų | 112.9 | 38% | 0.38 | 60% | 0.601 | S | S | . | * | trans | -60.4 | 123.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 103.9 | W4 V8 | W4-A6 HydrophobicContact CB-CB 4.08Å; W4-A6 PolarHBondContact O-N 3.03Å; A6-V8 PolarHBondContact O-N 3.16Å | ||
| 7 | N | 37.2 | Very low | 48.3 | Very low | 65 Ų | 65 | 114 Ų | 114 | 35% | 0.348 | 61% | 0.607 | S | S | . | * | trans | -44.4 | 119.7 | 165.8 | -82.6 | -59.2 | 0 | 0 | 0 | 107.7 | Y5 G9 R66 S136 | Y5-N7 PolarHBondContact O-N 3.33Å; N7-G9 PolarHBondContact O-N 3.34Å; N7-R66 PolarHBondContact ND2-NH1 2.69Å; N7-S136 PolarHBondContact ND2-OG 2.88Å | ||
| 8 | V | 33.5 | Very low | 50.6 | Low | 149 Ų | 149 | 111.4 Ų | 111.4 | 90% | 0.903 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -32 | 100.6 | 160.7 | -100.2 | 0 | 0 | 0 | 0 | 109 | A6 | A6-V8 PolarHBondContact O-N 3.16Š|
| 9 | G | 36.4 | Very low | 52.6 | Low | 66 Ų | 66 | 105.5 Ų | 105.5 | 68% | 0.68 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155.1 | -25.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | N7 | N7-G9 PolarHBondContact O-N 3.34Š|
| 10 | F | 51.4 | Low | 54.4 | Low | 92 Ų | 92 | 105.3 Ų | 105.3 | 40% | 0.404 | 55% | 0.551 | S | S | . | * | trans | -116.6 | 91.3 | -171.4 | -59.2 | -81 | 0 | 0 | 0 | 112.3 | N131 D132 M133 | F10-N131 WeakPolarHBondContact CB-OD1 3.11Å; F10-N131 PolarHBondContact O-ND2 3.05Å; F10-N131 PolarHBondContact O-OD1 3.25Å; F10-D132 HydrophobicContact CD1-CB 4.12Å; F10-D132 HydrophobicContact CE1-CB 4.41Å; F10-D132 WeakPolarHBondContact CG-O 3.35Å; F10-M133 HydrophobicContact CE1-CE 3.71Å; F10-M133 HydrophobicContact CE2-CE 3.74Å; F10-M133 HydrophobicContact CZ-CE 3.23Å | ||
| 11 | Q | 54.1 | Low | 56.2 | Low | 173 Ų | 173 | 100.3 Ų | 100.3 | 81% | 0.808 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 145.5 | 170 | -69 | -176.4 | -20 | 0 | 0 | 109.9 | Q13 | Q11-Q13 PolarHBondContact O-N 3.25Š|
| 12 | K | 56.7 | Low | 59.1 | Low | 115 Ų | 115 | 89.9 Ų | 89.9 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 120.7 | 172.3 | -172.7 | 171.3 | -172.1 | 161.3 | 0 | 109 | E110 | K12-E110 IonicContact NZ-OE1 2.99Å; K12-E110 PolarHBondContact NZ-OE1 3.13Å; K12-E110 IonicContact NZ-OE2 3.48Å; K12-E110 PolarHBondContact NZ-OE2 2.65Å |
| 13 | Q | 59.5 | Low | 62.1 | Low | 104 Ų | 104 | 86.8 Ų | 86.8 | 49% | 0.486 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 119.6 | -179.8 | -69.5 | 178 | -5.3 | 0 | 0 | 109.4 | Q11 G15 K16 S130 | Q11-Q13 PolarHBondContact O-N 3.25Å; Q13-G15 PolarHBondContact O-N 3.48Å; Q13-K16 HydrophobicContact CB-CB 3.93Å; Q13-K16 HydrophobicContact CB-CD 4.14Å; Q13-K16 WeakPolarHBondContact O-CB 3.11Å; Q13-K16 PolarHBondContact O-N 3.16Å; Q13-S130 PolarHBondContact N-O 2.97Å |
| 14 | P | 61.3 | Low | 65.1 | Low | 132 Ų | 132 | 79 Ų | 79 | 86% | 0.857 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 134.8 | 178.4 | 23.5 | -30.8 | 0 | 0 | 0 | 110.6 | K16 | P14-K16 VanDerWaalsContact C-N 3.29Å; P14-K16 PolarHBondContact O-N 3.04Å |
| 15 | G | 69.3 | Low | 67.4 | Low | 75 Ų | 75 | 72.7 Ų | 72.7 | 77% | 0.773 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -3.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q13 | Q13-G15 PolarHBondContact O-N 3.48Š|
| 16 | K | 76.5 | Confident | 69.9 | Low | 16 Ų | 16 | 64.5 Ų | 64.5 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | trans | -80.5 | 122.2 | 175.1 | -168 | -175.5 | -169.1 | 165.5 | 0 | 110.8 | Q13 P14 F18 S130 D132 | Q13-K16 HydrophobicContact CB-CB 3.93Å; Q13-K16 HydrophobicContact CB-CD 4.14Å; Q13-K16 WeakPolarHBondContact O-CB 3.11Å; Q13-K16 PolarHBondContact O-N 3.16Å; P14-K16 VanDerWaalsContact C-N 3.29Å; P14-K16 PolarHBondContact O-N 3.04Å; K16-F18 HydrophobicContact CD-CZ 4.5Å; K16-F18 WeakPolarHBondContact CD-O 3.47Å; K16-F18 WeakPolarHBondContact CE-O 3.23Å; K16-F18 HydrophobicContact CG-CD1 4Å; K16-F18 HydrophobicContact CG-CE1 3.96Å; K16-F18 HydrophobicContact CG-CG 4.33Å; K16-F18 HydrophobicContact CG-CZ 4.26Å; K16-F18 WeakPolarHBondContact CG-O 3.29Å; K16-S130 WeakPolarHBondContact O-CB 3.38Å; K16-S130 PolarHBondContact O-OG 2.94Å; K16-D132 IonicContact NZ-OD1 3.05Å; K16-D132 PolarHBondContact NZ-OD1 2.93Å; K16-D132 IonicContact NZ-OD2 2.73Å; K16-D132 PolarHBondContact NZ-OD2 2.88Å | ||
| 17 | N | 83.4 | Confident | 72.1 | Confident | 132 Ų | 132 | 62.8 Ų | 62.8 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | trans | -106.1 | 1.7 | 178.4 | -65.4 | -21.4 | 0 | 0 | 0 | 113.6 | P75 G77 | N17-P75 VanDerWaalsContact O-O 3.04Å; N17-G77 WeakPolarHBondContact O-CA 3.23Å; N17-G77 PolarHBondContact O-N 3.05Å | ||
| 18 | F | 88.5 | Confident | 73.9 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | trans | -123.5 | 170.6 | 178.9 | 68.8 | -90.8 | 0 | 0 | 0 | 111.1 | K16 Y20 Y73 C74 | K16-F18 HydrophobicContact CD-CZ 4.5Å; K16-F18 WeakPolarHBondContact CD-O 3.47Å; K16-F18 WeakPolarHBondContact CE-O 3.23Å; K16-F18 HydrophobicContact CG-CD1 4Å; K16-F18 HydrophobicContact CG-CE1 3.96Å; K16-F18 HydrophobicContact CG-CG 4.33Å; K16-F18 HydrophobicContact CG-CZ 4.26Å; K16-F18 WeakPolarHBondContact CG-O 3.29Å; F18-Y20 HydrophobicContact CD2-CE2 4.3Å; F18-Y20 HydrophobicContact CE2-CD2 4.27Å; F18-Y20 AromaticContact CE2-CE2 3.73Å; F18-Y20 HydrophobicContact CE2-CE2 3.73Å; F18-Y73 HydrophobicContact CB-CD2 4.46Å; F18-Y73 HydrophobicContact CB-CE2 3.57Å; F18-Y73 HydrophobicContact CD1-CE2 4.38Å; F18-Y73 AromaticContact CD2-CD2 3.98Å; F18-Y73 HydrophobicContact CD2-CD2 3.98Å; F18-Y73 AromaticContact CD2-CE2 3.47Å; F18-Y73 HydrophobicContact CD2-CE2 3.47Å; F18-Y73 VanDerWaalsContact CD2-CE2 3.47Å; F18-Y73 HydrophobicContact CE2-CE2 4.22Å; F18-Y73 HydrophobicContact CG-CD2 4.45Å; F18-Y73 AromaticContact CG-CE2 3.56Å; F18-Y73 HydrophobicContact CG-CE2 3.56Å; F18-C74 WeakPolarHBondContact CA-O 3.32Å | ||
| 19 | S | 88.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 152.2 | 172.1 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | C74 G77 S130 N131 D132 | S19-C74 PolarHBondContact N-O 3.01Å; S19-C74 WeakPolarHBondContact O-CB 3.34Å; S19-C74 PolarHBondContact O-N 3.29Å; S19-G77 PolarHBondContact OG-O 2.88Å; S19-S130 VanDerWaalsContact OG-CA 3.26Å; S19-S130 WeakPolarHBondContact OG-CA 3.49Å; S19-S130 PolarHBondContact OG-N 2.97Å; S19-N131 PolarHBondContact OG-N 3.03Å; S19-D132 WeakPolarHBondContact CA-OD1 3.33Å |
| 20 | Y | 90.2 | Very high | 76.6 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.2 | 165.1 | -68.3 | -78.9 | 0 | 0 | 0 | 109.1 | F18 I71 Y72 Y73 D132 M133 | F18-Y20 HydrophobicContact CD2-CE2 4.3Å; F18-Y20 HydrophobicContact CE2-CD2 4.27Å; F18-Y20 AromaticContact CE2-CE2 3.73Å; F18-Y20 HydrophobicContact CE2-CE2 3.73Å; Y20-I71 HydrophobicContact CD1-CG2 4.28Å; Y20-I71 HydrophobicContact CG-CG2 4.45Å; Y20-Y72 CarbonylContact C-O 3.49Å; Y20-Y72 VanDerWaalsContact CA-O 3.27Å; Y20-Y72 WeakPolarHBondContact CA-O 3.48Å; Y20-Y73 AromaticContact CE1-CD2 3.96Å; Y20-Y73 HydrophobicContact CE1-CD2 3.96Å; Y20-Y73 HydrophobicContact CE1-CG 4.47Å; Y20-D132 PolarHBondContact N-OD1 3.08Å; Y20-D132 CarbonylContact O-C 3.58Å; Y20-D132 WeakPolarHBondContact O-CA 3.18Å; Y20-M133 PolarHBondContact O-N 3.24Å |
| 21 | C | 91.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 150.4 | -175.5 | -54 | 0 | 0 | 0 | 0 | 110.9 | I71 Y72 C74 C79 | C21-I71 CarbonylContact O-C 3.57Å; C21-I71 WeakPolarHBondContact O-CA 3.39Å; C21-Y72 PolarHBondContact N-O 2.86Å; C21-Y72 PolarHBondContact O-N 3.18Å; C21-C74 VanDerWaalsContact CB-SG 3.51Å; C21-C74 PolarHBondContact SG-SG 3.35Å; C21-C79 HydrophobicContact CB-CB 3.68Å; C21-C79 WeakPolarHBondContact CB-SG 3.39Å; C21-C79 WeakPolarHBondContact SG-CA 3Å; C21-C79 WeakPolarHBondContact SG-CB 3.2Å; C21-C79 CovalentContact SG-SG 2Å; C21-C79 PolarHBondContact SG-SG 3.26Å |
| 22 | L | 91.5 | Very high | 76.7 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 138.2 | 167.1 | -64.2 | 176.6 | 0 | 0 | 0 | 109.5 | V69 P70 I71 R94 E95 N135 | L22-V69 HydrophobicContact CB-CG1 3.9Å; L22-V69 HydrophobicContact CD2-CB 4.01Å; L22-V69 HydrophobicContact CD2-CG1 3.86Å; L22-V69 HydrophobicContact CG-CG1 4.29Å; L22-P70 WeakPolarHBondContact CA-O 3.19Å; L22-I71 HydrophobicContact CD2-CG1 3.92Å; L22-R94 HydrophobicContact CB-CB 4.25Å; L22-R94 CarbonylContact O-C 3.55Å; L22-R94 WeakPolarHBondContact O-CB 3.45Å; L22-E95 WeakPolarHBondContact O-CA 3.46Å; L22-E95 PolarHBondContact O-N 2.96Å; L22-N135 PolarHBondContact N-OD1 3.25Å; L22-N135 PolarHBondContact O-ND2 3.02Å |
| 23 | S | 93.5 | Very high | 76.8 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | trans | -123.2 | 107.4 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | P49 P70 R94 E95 | S23-P49 VanDerWaalsContact OG-CB 3.22Å; S23-P49 WeakPolarHBondContact OG-CB 3.37Å; S23-P70 PolarHBondContact N-O 3.13Å; S23-R94 CarbonylContact C-O 3.58Å; S23-R94 VanDerWaalsContact CA-O 3.22Å; S23-R94 WeakPolarHBondContact CA-O 3.36Å; S23-E95 WeakPolarHBondContact CB-OE1 3.45Å; S23-E95 PolarHBondContact OG-OE1 2.76Å; S23-E95 PolarHBondContact OG-OE2 2.88Å | ||
| 24 | C | 92.5 | Very high | 77 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 158.9 | 176.3 | 57 | 0 | 0 | 0 | 0 | 112.3 | P49 E50 H52 C55 V69 R94 | C24-P49 WeakPolarHBondContact O-CG 3.33Å; C24-E50 WeakPolarHBondContact CA-O 3.48Å; C24-H52 HydrophobicContact CB-CB 3.78Å; C24-C55 HydrophobicContact CB-CB 3.56Å; C24-C55 WeakPolarHBondContact CB-SG 3.04Å; C24-C55 PolarHBondContact O-SG 2.99Å; C24-C55 WeakPolarHBondContact SG-CA 3.4Å; C24-C55 WeakPolarHBondContact SG-CB 3.44Å; C24-C55 CovalentContact SG-SG 2.03Å; C24-C55 PolarHBondContact SG-SG 2.86Å; C24-V69 HydrophobicContact CB-CG1 3.8Å; C24-V69 WeakPolarHBondContact SG-CG1 3.34Å; C24-R94 PolarHBondContact N-O 3.04Å; C24-R94 PolarHBondContact O-N 3.14Å |
| 25 | I | 90.8 | Very high | 77.3 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.046 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.6 | 159.9 | -178.2 | 173.6 | 0 | 0 | 0 | 108.9 | Y34 L37 L41 P49 E50 F51 H52 I92 V93 | I25-Y34 HydrophobicContact CD1-CD1 4.41Å; I25-Y34 HydrophobicContact CD1-CE1 4.11Å; I25-Y34 HydrophobicContact CG1-CE1 4.01Å; I25-L37 HydrophobicContact CD1-CD2 4.09Å; I25-L41 HydrophobicContact CD1-CD1 3.21Å; I25-L41 HydrophobicContact CG1-CD1 4.39Å; I25-P49 HydrophobicContact CB-CG 4.35Å; I25-P49 WeakPolarHBondContact CG2-O 3.4Å; I25-E50 PolarHBondContact N-O 3.46Å; I25-F51 HydrophobicContact CG2-CB 3.97Å; I25-F51 HydrophobicContact CG2-CD2 4.39Å; I25-F51 CarbonylContact O-C 3.53Å; I25-F51 WeakPolarHBondContact O-CA 3.2Å; I25-F51 WeakPolarHBondContact O-CD2 3.46Å; I25-H52 PolarHBondContact O-N 3.39Å; I25-I92 CarbonylContact C-O 3.6Å; I25-I92 WeakPolarHBondContact CA-O 3.47Å; I25-V93 HydrophobicContact CD1-CG2 4.29Å; I25-V93 HydrophobicContact CG1-CG2 4.16Å |
| 26 | G | 87.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | -179.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y34 F91 I92 | G26-Y34 WeakPolarHBondContact CA-OH 2.95Å; G26-Y34 PolarHBondContact O-OH 2.95Å; G26-F91 WeakPolarHBondContact O-CA 3.3Å; G26-I92 PolarHBondContact N-O 3Å; G26-I92 PolarHBondContact O-N 2.82Å |
| 27 | S | 81.2 | Confident | 78.4 | Confident | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.2 | -173.2 | 170.5 | 0 | 0 | 0 | 0 | 107 | S29 M32 Y34 R56 T90 | S27-S29 PolarHBondContact O-N 3.45Å; S27-S29 PolarHBondContact OG-N 2.61Å; S27-S29 VanDerWaalsContact OG-N 3.16Å; S27-S29 PolarHBondContact OG-O 3.07Å; S27-M32 PolarHBondContact OG-SD 3.1Å; S27-Y34 WeakPolarHBondContact CA-OH 3.48Å; S27-Y34 WeakPolarHBondContact CB-OH 3.27Å; S27-Y34 PolarHBondContact N-OH 3.22Å; S27-R56 WeakPolarHBondContact O-CB 3.28Å; S27-T90 WeakPolarHBondContact CA-O 3.47Å; S27-T90 PolarHBondContact OG-O 3.21Å |
| 28 | E | 75.2 | Confident | 78.6 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 27% | 0.271 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -64.8 | -25.7 | 174.3 | -73.1 | -63.3 | 157.7 | 0 | 0 | 111.9 | E57 T90 I92 | E28-E57 VanDerWaalsContact OE1-CB 3.27Å; E28-E57 WeakPolarHBondContact OE1-CB 3.35Å; E28-E57 WeakPolarHBondContact OE1-CG 3.45Å; E28-E57 PolarHBondContact OE1-N 2.97Å; E28-T90 HydrophobicContact CB-CG2 4.46Å; E28-T90 HydrophobicContact CG-CG2 3.76Å; E28-T90 PolarHBondContact N-O 2.88Å; E28-T90 VanDerWaalsContact N-O 3.14Å; E28-I92 HydrophobicContact CG-CD1 4.3Å; E28-I92 WeakPolarHBondContact OE1-CD1 3.27Å |
| 29 | S | 68.8 | Low | 78.5 | Confident | 45 Ų | 45 | 47.1 Ų | 47.1 | 32% | 0.315 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -92.4 | 132 | 176.1 | 116.8 | 0 | 0 | 0 | 0 | 110.9 | S27 N31 M32 | S27-S29 PolarHBondContact O-N 3.45Å; S27-S29 PolarHBondContact OG-N 2.61Å; S27-S29 VanDerWaalsContact OG-N 3.16Å; S27-S29 PolarHBondContact OG-O 3.07Å; S29-N31 PolarHBondContact O-N 2.79Å; S29-N31 PolarHBondContact OG-N 3.24Å; S29-M32 WeakPolarHBondContact OG-CE 3.01Å; S29-M32 WeakPolarHBondContact OG-CG 2.95Å; S29-M32 PolarHBondContact OG-SD 2.94Å |
| 30 | A | 57.3 | Low | 78.6 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 66% | 0.661 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -10.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 31 | N | 54 | Low | 78.7 | Confident | 157 Ų | 157 | 43 Ų | 43 | 84% | 0.84 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 25.8 | -164 | -76.5 | -1.8 | 0 | 0 | 0 | 114 | S29 | S29-N31 PolarHBondContact O-N 2.79Å; S29-N31 PolarHBondContact OG-N 3.24Å |
| 32 | M | 53.3 | Low | 78.6 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | trans | -104.9 | 128 | -170.5 | -80.9 | 165.9 | 178.8 | 0 | 0 | 114.1 | S27 S29 Q89 | S27-M32 PolarHBondContact OG-SD 3.1Å; S29-M32 WeakPolarHBondContact OG-CE 3.01Å; S29-M32 WeakPolarHBondContact OG-CG 2.95Å; S29-M32 PolarHBondContact OG-SD 2.94Å; M32-Q89 HydrophobicContact CE-CB 3.43Å; M32-Q89 VanDerWaalsContact CE-CB 3.43Å; M32-Q89 HydrophobicContact CE-CG 3.13Å; M32-Q89 VanDerWaalsContact CE-NE2 3.33Å; M32-Q89 VanDerWaalsContact CG-CD 3.43Å; M32-Q89 HydrophobicContact CG-CG 4.45Å; M32-Q89 HydrophobicContact SD-CB 3.47Å; M32-Q89 WeakPolarHBondContact SD-CB 3.28Å; M32-Q89 HydrophobicContact SD-CG 3.58Å; M32-Q89 VanDerWaalsContact SD-CG 3.58Å; M32-Q89 PolarHBondContact SD-OE1 3.21Å | ||
| 33 | T | 58.9 | Low | 78.6 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | trans | -75.1 | 129.5 | 155.7 | 52.5 | 0 | 0 | 0 | 0 | 108.2 | D35 | T33-D35 VanDerWaalsContact CB-OD2 3.29Å; T33-D35 WeakPolarHBondContact CB-OD2 3.48Å; T33-D35 PolarHBondContact O-N 2.98Å; T33-D35 PolarHBondContact OG1-OD2 3.31Å | ||
| 34 | Y | 63.1 | Low | 78.4 | Confident | 46 Ų | 46 | 57.4 Ų | 57.4 | 18% | 0.18 | 31% | 0.312 | C | S | . | . | trans | -74.1 | 31.1 | -179.9 | -86.8 | -103.4 | 0 | 0 | 0 | 112.7 | I25 G26 S27 G36 L37 F51 | I25-Y34 HydrophobicContact CD1-CD1 4.41Å; I25-Y34 HydrophobicContact CD1-CE1 4.11Å; I25-Y34 HydrophobicContact CG1-CE1 4.01Å; G26-Y34 WeakPolarHBondContact CA-OH 2.95Å; G26-Y34 PolarHBondContact O-OH 2.95Å; S27-Y34 WeakPolarHBondContact CA-OH 3.48Å; S27-Y34 WeakPolarHBondContact CB-OH 3.27Å; S27-Y34 PolarHBondContact N-OH 3.22Å; Y34-G36 PolarHBondContact O-N 3.14Å; Y34-L37 HydrophobicContact CD1-CB 3.96Å; Y34-L37 HydrophobicContact CD1-CD2 3.52Å; Y34-L37 HydrophobicContact CD1-CG 4.25Å; Y34-L37 HydrophobicContact CE1-CD2 3.34Å; Y34-L37 HydrophobicContact CE1-CG 4.5Å; Y34-L37 PolarHBondContact O-N 2.79Å; Y34-F51 HydrophobicContact CD2-CD2 4.04Å; Y34-F51 AromaticContact CD2-CE2 3.84Å; Y34-F51 HydrophobicContact CD2-CE2 3.84Å; Y34-F51 HydrophobicContact CD2-CZ 4.37Å; Y34-F51 HydrophobicContact CE1-CD2 4.12Å; Y34-F51 HydrophobicContact CE1-CE2 4.25Å; Y34-F51 AromaticContact CE2-CD2 3.49Å; Y34-F51 HydrophobicContact CE2-CD2 3.49Å; Y34-F51 VanDerWaalsContact CE2-CD2 3.49Å; Y34-F51 AromaticContact CE2-CE2 2.97Å; Y34-F51 HydrophobicContact CE2-CE2 2.97Å; Y34-F51 AromaticContact CE2-CZ 3.65Å; Y34-F51 HydrophobicContact CE2-CZ 3.65Å; Y34-F51 AromaticContact CZ-CD2 3.56Å; Y34-F51 AromaticContact CZ-CE2 3.25Å; Y34-F51 VanDerWaalsContact OH-CE2 3.32Å; Y34-F51 WeakPolarHBondContact OH-CE2 3.42Å | ||
| 35 | D | 67.9 | Low | 78.4 | Confident | 113 Ų | 113 | 67.2 Ų | 67.2 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 96.2 | -166.8 | -67.4 | -26.1 | 0 | 0 | 0 | 110.4 | T33 K87 | T33-D35 VanDerWaalsContact CB-OD2 3.29Å; T33-D35 WeakPolarHBondContact CB-OD2 3.48Å; T33-D35 PolarHBondContact O-N 2.98Å; T33-D35 PolarHBondContact OG1-OD2 3.31Å; D35-K87 PolarHBondContact O-NZ 2.81Å |
| 36 | G | 82.8 | Confident | 78.4 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -12.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116 | Y34 V39 Y40 | Y34-G36 PolarHBondContact O-N 3.14Å; G36-V39 PolarHBondContact O-N 3.03Å; G36-Y40 VanDerWaalsContact O-CB 3.28Å; G36-Y40 WeakPolarHBondContact O-CB 3.36Å; G36-Y40 PolarHBondContact O-N 3.37Å |
| 37 | L | 86.4 | Confident | 78.7 | Confident | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.5 | -44.4 | 178.5 | -177.4 | 73.3 | 0 | 0 | 0 | 110.9 | I25 Y34 V39 Y40 L41 F86 F91 | I25-L37 HydrophobicContact CD1-CD2 4.09Å; Y34-L37 HydrophobicContact CD1-CB 3.96Å; Y34-L37 HydrophobicContact CD1-CD2 3.52Å; Y34-L37 HydrophobicContact CD1-CG 4.25Å; Y34-L37 HydrophobicContact CE1-CD2 3.34Å; Y34-L37 HydrophobicContact CE1-CG 4.5Å; Y34-L37 PolarHBondContact O-N 2.79Å; L37-V39 PolarHBondContact O-N 2.88Å; L37-Y40 HydrophobicContact CD1-CD1 4.2Å; L37-Y40 WeakPolarHBondContact O-CB 3.4Å; L37-Y40 PolarHBondContact O-N 2.84Å; L37-L41 HydrophobicContact CD1-CD1 4.25Å; L37-L41 HydrophobicContact CD1-CD2 4.27Å; L37-L41 HydrophobicContact CD1-CG 4.06Å; L37-L41 HydrophobicContact CD2-CD1 4.1Å; L37-L41 HydrophobicContact CG-CD1 3.83Å; L37-L41 HydrophobicContact CG-CG 4.03Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.36Å; L37-L41 PolarHBondContact O-N 2.97Å; L37-F86 HydrophobicContact CB-CD1 4.01Å; L37-F86 HydrophobicContact CB-CE1 4.14Å; L37-F86 HydrophobicContact CD1-CB 3.74Å; L37-F86 HydrophobicContact CD1-CD1 3.79Å; L37-F86 HydrophobicContact CD1-CD2 4.32Å; L37-F86 HydrophobicContact CD1-CE1 4.46Å; L37-F86 HydrophobicContact CD1-CG 3.7Å; L37-F91 HydrophobicContact CD1-CB 4.31Å; L37-F91 HydrophobicContact CD1-CD1 3.86Å; L37-F91 HydrophobicContact CD1-CD2 4.45Å; L37-F91 HydrophobicContact CD1-CE1 4.26Å; L37-F91 HydrophobicContact CD1-CG 3.96Å; L37-F91 HydrophobicContact CD2-CB 3.56Å; L37-F91 HydrophobicContact CD2-CD2 4.49Å; L37-F91 HydrophobicContact CD2-CG 4.01Å |
| 38 | E | 86.5 | Confident | 79 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 177.5 | -164.7 | -168.4 | 161.1 | 0 | 0 | 111.2 | K42 L48 | E38-K42 HydrophobicContact CG-CD 4.43Å; E38-K42 WeakPolarHBondContact O-CB 3.39Å; E38-K42 VanDerWaalsContact O-CG 3.26Å; E38-K42 WeakPolarHBondContact O-CG 3.28Å; E38-K42 PolarHBondContact O-N 3.35Å; E38-K42 WeakPolarHBondContact OE1-CE 3.34Å; E38-K42 IonicContact OE1-NZ 3.43Å; E38-K42 PolarHBondContact OE1-NZ 2.85Å; E38-L48 HydrophobicContact CB-CD1 4.21Å; E38-L48 HydrophobicContact CG-CD1 3.37Å |
| 39 | V | 88.2 | Confident | 79.8 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -51.6 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | G36 L37 L41 K42 E43 | G36-V39 PolarHBondContact O-N 3.03Å; L37-V39 PolarHBondContact O-N 2.88Å; V39-L41 PolarHBondContact O-N 3.2Å; V39-K42 WeakPolarHBondContact O-CB 3.49Å; V39-K42 PolarHBondContact O-N 2.99Å; V39-E43 WeakPolarHBondContact O-CG 3.34Å; V39-E43 PolarHBondContact O-N 2.88Å |
| 40 | Y | 90.7 | Very high | 80.6 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 6% | 0.059 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -54.6 | -49.6 | 177.9 | 173.6 | -100.8 | 0 | 0 | 0 | 112.4 | G36 L37 K42 E43 K44 F86 M118 D120 T121 | G36-Y40 VanDerWaalsContact O-CB 3.28Å; G36-Y40 WeakPolarHBondContact O-CB 3.36Å; G36-Y40 PolarHBondContact O-N 3.37Å; L37-Y40 HydrophobicContact CD1-CD1 4.2Å; L37-Y40 WeakPolarHBondContact O-CB 3.4Å; L37-Y40 PolarHBondContact O-N 2.84Å; Y40-K42 VanDerWaalsContact C-N 3.33Å; Y40-K42 PolarHBondContact O-N 3.42Å; Y40-E43 WeakPolarHBondContact O-CB 3.28Å; Y40-E43 PolarHBondContact O-N 3.02Å; Y40-K44 HydrophobicContact CE1-CG 4.35Å; Y40-K44 WeakPolarHBondContact O-CG 3.26Å; Y40-K44 PolarHBondContact O-N 2.89Å; Y40-K44 VanDerWaalsContact O-N 3.13Å; Y40-K44 WeakPolarHBondContact OH-CE 3.4Å; Y40-F86 HydrophobicContact CD1-CD2 4.07Å; Y40-F86 HydrophobicContact CD1-CE2 4.17Å; Y40-F86 HydrophobicContact CD2-CD2 4.32Å; Y40-F86 AromaticContact CD2-CE2 3.8Å; Y40-F86 HydrophobicContact CD2-CE2 3.8Å; Y40-F86 HydrophobicContact CE1-CD2 4.45Å; Y40-F86 HydrophobicContact CE2-CE2 4.46Å; Y40-F86 HydrophobicContact CG-CD2 4Å; Y40-F86 AromaticContact CG-CE2 3.62Å; Y40-F86 HydrophobicContact CG-CE2 3.62Å; Y40-F86 HydrophobicContact CG-CZ 4.33Å; Y40-M118 HydrophobicContact CE1-CE 4.02Å; Y40-M118 HydrophobicContact CE1-CG 4.25Å; Y40-M118 HydrophobicContact CE1-SD 4.31Å; Y40-D120 WeakPolarHBondContact CE2-OD2 3.02Å; Y40-D120 VanDerWaalsContact CZ-OD2 3.22Å; Y40-D120 PolarHBondContact OH-OD1 2.87Å; Y40-D120 PolarHBondContact OH-OD2 2.87Å; Y40-T121 HydrophobicContact CE1-CG2 3.78Å; Y40-T121 HydrophobicContact CE2-CG2 4.35Å; Y40-T121 VanDerWaalsContact OH-CG2 3.23Å; Y40-T121 WeakPolarHBondContact OH-CG2 3.49Å |
| 41 | L | 90.9 | Very high | 82 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.6 | -35.2 | -178.9 | -59.3 | 172.5 | 0 | 0 | 0 | 111.8 | I25 L37 V39 K44 M46 L48 F91 V93 M118 | I25-L41 HydrophobicContact CD1-CD1 3.21Å; I25-L41 HydrophobicContact CG1-CD1 4.39Å; L37-L41 HydrophobicContact CD1-CD1 4.25Å; L37-L41 HydrophobicContact CD1-CD2 4.27Å; L37-L41 HydrophobicContact CD1-CG 4.06Å; L37-L41 HydrophobicContact CD2-CD1 4.1Å; L37-L41 HydrophobicContact CG-CD1 3.83Å; L37-L41 HydrophobicContact CG-CG 4.03Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.36Å; L37-L41 PolarHBondContact O-N 2.97Å; V39-L41 PolarHBondContact O-N 3.2Å; L41-K44 CarbonylContact O-C 3.6Å; L41-K44 PolarHBondContact O-N 3.32Å; L41-M46 HydrophobicContact CB-SD 4.1Å; L41-M46 HydrophobicContact CD2-SD 4Å; L41-M46 WeakPolarHBondContact O-CB 3.26Å; L41-M46 PolarHBondContact O-N 2.86Å; L41-L48 HydrophobicContact CB-CD1 4.07Å; L41-L48 HydrophobicContact CB-CD2 3.49Å; L41-L48 VanDerWaalsContact CB-CD2 3.49Å; L41-L48 HydrophobicContact CB-CG 4.39Å; L41-L48 HydrophobicContact CD1-CD1 4.43Å; L41-L48 HydrophobicContact CD1-CD2 3.87Å; L41-L48 HydrophobicContact CG-CD2 4.33Å; L41-F91 HydrophobicContact CD2-CD2 4.47Å; L41-F91 HydrophobicContact CD2-CE2 3.94Å; L41-F91 HydrophobicContact CD2-CZ 4.33Å; L41-V93 HydrophobicContact CD1-CG2 3.92Å; L41-M118 HydrophobicContact CD2-CE 3.32Å; L41-M118 HydrophobicContact CD2-SD 4.27Å |
| 42 | K | 90.3 | Very high | 83.5 | Confident | 114 Ų | 114 | 73.1 Ų | 73.1 | 50% | 0.496 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 171.9 | -77.2 | 175.5 | -177.2 | 173.2 | 0 | 112.1 | E38 V39 Y40 K44 R45 L48 | E38-K42 HydrophobicContact CG-CD 4.43Å; E38-K42 WeakPolarHBondContact O-CB 3.39Å; E38-K42 VanDerWaalsContact O-CG 3.26Å; E38-K42 WeakPolarHBondContact O-CG 3.28Å; E38-K42 PolarHBondContact O-N 3.35Å; E38-K42 WeakPolarHBondContact OE1-CE 3.34Å; E38-K42 IonicContact OE1-NZ 3.43Å; E38-K42 PolarHBondContact OE1-NZ 2.85Å; V39-K42 WeakPolarHBondContact O-CB 3.49Å; V39-K42 PolarHBondContact O-N 2.99Å; Y40-K42 VanDerWaalsContact C-N 3.33Å; Y40-K42 PolarHBondContact O-N 3.42Å; K42-K44 PolarHBondContact O-N 3.18Å; K42-R45 VanDerWaalsContact O-CA 3.31Å; K42-R45 WeakPolarHBondContact O-CA 3.46Å; K42-R45 PolarHBondContact O-N 2.6Å; K42-L48 HydrophobicContact CG-CD1 3.96Å; K42-L48 HydrophobicContact CG-CG 4.37Å |
| 43 | E | 91.1 | Very high | 84.7 | Confident | 137 Ų | 137 | 74.2 Ų | 74.2 | 64% | 0.64 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.7 | -33.4 | 173.7 | -72 | 173 | 173 | 0 | 0 | 111.7 | V39 Y40 R45 | V39-E43 WeakPolarHBondContact O-CG 3.34Å; V39-E43 PolarHBondContact O-N 2.88Å; Y40-E43 WeakPolarHBondContact O-CB 3.28Å; Y40-E43 PolarHBondContact O-N 3.02Å; E43-R45 PolarHBondContact O-N 3.47Å; E43-R45 VanDerWaalsContact O-N 3.13Å |
| 44 | K | 90 | Very high | 85.7 | Confident | 62 Ų | 62 | 73 Ų | 73 | 27% | 0.27 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 14 | 169.9 | -52.6 | -54.9 | -173.9 | 154.1 | 0 | 113.7 | Y40 L41 K42 M46 A117 M118 D120 | Y40-K44 HydrophobicContact CE1-CG 4.35Å; Y40-K44 WeakPolarHBondContact O-CG 3.26Å; Y40-K44 PolarHBondContact O-N 2.89Å; Y40-K44 VanDerWaalsContact O-N 3.13Å; Y40-K44 WeakPolarHBondContact OH-CE 3.4Å; L41-K44 CarbonylContact O-C 3.6Å; L41-K44 PolarHBondContact O-N 3.32Å; K42-K44 PolarHBondContact O-N 3.18Å; K44-M46 VanDerWaalsContact C-N 3.28Å; K44-M46 PolarHBondContact O-N 3.13Å; K44-A117 WeakPolarHBondContact CD-O 3.14Å; K44-A117 WeakPolarHBondContact CE-O 2.99Å; K44-A117 PolarHBondContact NZ-O 3.08Å; K44-M118 HydrophobicContact CB-CE 3.68Å; K44-M118 HydrophobicContact CD-CG 4.46Å; K44-M118 HydrophobicContact CG-CE 3.55Å; K44-M118 HydrophobicContact CG-CG 4.01Å; K44-D120 IonicContact NZ-OD1 2.65Å; K44-D120 PolarHBondContact NZ-OD1 2.91Å |
| 45 | R | 91.4 | Very high | 86.7 | Confident | 206 Ų | 206 | 70.8 Ų | 70.8 | 78% | 0.777 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 29.7 | 176.5 | -53.9 | -178.2 | -179.8 | 179.4 | 0.2 | 114.2 | K42 E43 | K42-R45 VanDerWaalsContact O-CA 3.31Å; K42-R45 WeakPolarHBondContact O-CA 3.46Å; K42-R45 PolarHBondContact O-N 2.6Å; E43-R45 PolarHBondContact O-N 3.47Å; E43-R45 VanDerWaalsContact O-N 3.13Å |
| 46 | M | 91.2 | Very high | 87.3 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | trans | -85.1 | 140.9 | 172.8 | -63.8 | 177.3 | 171.5 | 0 | 0 | 111.5 | L41 K44 L48 I82 L100 W101 F115 M118 | L41-M46 HydrophobicContact CB-SD 4.1Å; L41-M46 HydrophobicContact CD2-SD 4Å; L41-M46 WeakPolarHBondContact O-CB 3.26Å; L41-M46 PolarHBondContact O-N 2.86Å; K44-M46 VanDerWaalsContact C-N 3.28Å; K44-M46 PolarHBondContact O-N 3.13Å; M46-L48 HydrophobicContact CB-CD2 3.67Å; M46-L48 HydrophobicContact SD-CD2 4.43Å; M46-I82 HydrophobicContact CE-CD1 3.23Å; M46-I82 HydrophobicContact SD-CD1 4.41Å; M46-L100 CarbonylContact C-O 3.59Å; M46-L100 WeakPolarHBondContact CA-O 3.41Å; M46-L100 HydrophobicContact CB-CD1 4.32Å; M46-L100 HydrophobicContact CG-CD1 4.38Å; M46-L100 HydrophobicContact SD-CD1 4.4Å; M46-W101 HydrophobicContact CE-CE3 4.02Å; M46-W101 HydrophobicContact CE-CH2 4.3Å; M46-W101 HydrophobicContact CE-CZ3 3.38Å; M46-W101 HydrophobicContact CG-CE3 3.88Å; M46-W101 HydrophobicContact CG-CZ3 4.19Å; M46-F115 HydrophobicContact CE-CE1 3.61Å; M46-F115 HydrophobicContact CE-CZ 4.26Å; M46-M118 HydrophobicContact CE-CE 3.15Å; M46-M118 HydrophobicContact CE-SD 3.92Å; M46-M118 HydrophobicContact SD-CE 3.61Å | ||
| 47 | R | 92.7 | Very high | 86.9 | Confident | 127 Ų | 127 | 68.2 Ų | 68.2 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | trans | -90.5 | 110 | 163.1 | -66.1 | 170.5 | 175.6 | 159 | -3 | 106.8 | R99 L100 N102 | R47-R99 VanDerWaalsContact CB-O 3.24Å; R47-R99 WeakPolarHBondContact CB-O 3.34Å; R47-R99 WeakPolarHBondContact CD-O 3.45Å; R47-L100 PolarHBondContact N-O 2.95Å; R47-N102 PolarHBondContact NH1-OD1 3.46Å; R47-N102 VanDerWaalsContact NH2-CG 3.35Å; R47-N102 PolarHBondContact NH2-ND2 3.42Å; R47-N102 PolarHBondContact NH2-OD1 2.87Å | ||
| 48 | L | 88.8 | Confident | 85.7 | Confident | 42 Ų | 42 | 68.5 Ų | 68.5 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 133.2 | -169.1 | -55.6 | 179.3 | 0 | 0 | 0 | 110.9 | E38 L41 K42 M46 | E38-L48 HydrophobicContact CB-CD1 4.21Å; E38-L48 HydrophobicContact CG-CD1 3.37Å; L41-L48 HydrophobicContact CB-CD1 4.07Å; L41-L48 HydrophobicContact CB-CD2 3.49Å; L41-L48 VanDerWaalsContact CB-CD2 3.49Å; L41-L48 HydrophobicContact CB-CG 4.39Å; L41-L48 HydrophobicContact CD1-CD1 4.43Å; L41-L48 HydrophobicContact CD1-CD2 3.87Å; L41-L48 HydrophobicContact CG-CD2 4.33Å; K42-L48 HydrophobicContact CG-CD1 3.96Å; K42-L48 HydrophobicContact CG-CG 4.37Å; M46-L48 HydrophobicContact CB-CD2 3.67Å; M46-L48 HydrophobicContact SD-CD2 4.43Å |
| 49 | P | 90.8 | Very high | 84.3 | Confident | 12 Ų | 12 | 72.6 Ų | 72.6 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 172.2 | 165.2 | 32.7 | -37.3 | 0 | 0 | 0 | 110.4 | S23 C24 I25 V93 | S23-P49 VanDerWaalsContact OG-CB 3.22Å; S23-P49 WeakPolarHBondContact OG-CB 3.37Å; C24-P49 WeakPolarHBondContact O-CG 3.33Å; I25-P49 HydrophobicContact CB-CG 4.35Å; I25-P49 WeakPolarHBondContact CG2-O 3.4Å; P49-V93 HydrophobicContact CG-CG1 4.21Å |
| 50 | E | 86.8 | Confident | 82.2 | Confident | 136 Ų | 136 | 74.6 Ų | 74.6 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 145.5 | 177.4 | -67.4 | -179.9 | 175.5 | 0 | 0 | 112.1 | C24 I25 | C24-E50 WeakPolarHBondContact CA-O 3.48Å; I25-E50 PolarHBondContact N-O 3.46Å |
| 51 | F | 86.6 | Confident | 80.1 | Confident | 114 Ų | 114 | 79.9 Ų | 79.9 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -68.3 | 134.9 | 173.2 | 173.6 | -100.9 | 0 | 0 | 0 | 110.6 | I25 Y34 | I25-F51 HydrophobicContact CG2-CB 3.97Å; I25-F51 HydrophobicContact CG2-CD2 4.39Å; I25-F51 CarbonylContact O-C 3.53Å; I25-F51 WeakPolarHBondContact O-CA 3.2Å; I25-F51 WeakPolarHBondContact O-CD2 3.46Å; Y34-F51 HydrophobicContact CD2-CD2 4.04Å; Y34-F51 AromaticContact CD2-CE2 3.84Å; Y34-F51 HydrophobicContact CD2-CE2 3.84Å; Y34-F51 HydrophobicContact CD2-CZ 4.37Å; Y34-F51 HydrophobicContact CE1-CD2 4.12Å; Y34-F51 HydrophobicContact CE1-CE2 4.25Å; Y34-F51 AromaticContact CE2-CD2 3.49Å; Y34-F51 HydrophobicContact CE2-CD2 3.49Å; Y34-F51 VanDerWaalsContact CE2-CD2 3.49Å; Y34-F51 AromaticContact CE2-CE2 2.97Å; Y34-F51 HydrophobicContact CE2-CE2 2.97Å; Y34-F51 AromaticContact CE2-CZ 3.65Å; Y34-F51 HydrophobicContact CE2-CZ 3.65Å; Y34-F51 AromaticContact CZ-CD2 3.56Å; Y34-F51 AromaticContact CZ-CE2 3.25Å; Y34-F51 VanDerWaalsContact OH-CE2 3.32Å; Y34-F51 WeakPolarHBondContact OH-CE2 3.42Å |
| 52 | H | 85.6 | Confident | 78.2 | Confident | 43 Ų | 43 | 82.5 Ų | 82.5 | 20% | 0.199 | 39% | 0.388 | C | S | . | . | trans | -143.4 | 124.2 | -179.4 | -154.9 | -79.5 | 0 | 0 | 0 | 111.4 | C24 I25 H54 C55 S68 | C24-H52 HydrophobicContact CB-CB 3.78Å; I25-H52 PolarHBondContact O-N 3.39Å; H52-H54 AromaticContact CE1-CD2 3.71Å; H52-H54 PolarHBondContact ND1-N 3.08Å; H52-H54 PolarHBondContact O-N 3.45Å; H52-H54 VanDerWaalsContact O-N 3.13Å; H52-C55 HydrophobicContact CB-CB 4.45Å; H52-C55 VanDerWaalsContact O-CB 3.27Å; H52-C55 WeakPolarHBondContact O-CB 3.43Å; H52-C55 PolarHBondContact O-N 2.63Å; H52-S68 PolarHBondContact CE1-OG 3.23Å; H52-S68 VanDerWaalsContact CE1-OG 3.24Å; H52-S68 PolarHBondContact NE2-O 3.2Å | ||
| 53 | S | 77.4 | Confident | 76.5 | Confident | 71 Ų | 71 | 80.9 Ų | 80.9 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -57.1 | -30.7 | 179.8 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 54 | H | 80.1 | Confident | 74.5 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -90.3 | 9.7 | 178 | -59.7 | -69.1 | 0 | 0 | 0 | 115.1 | H52 R56 G65 S68 V69 | H52-H54 AromaticContact CE1-CD2 3.71Å; H52-H54 PolarHBondContact ND1-N 3.08Å; H52-H54 PolarHBondContact O-N 3.45Å; H52-H54 VanDerWaalsContact O-N 3.13Å; H54-R56 PolarHBondContact O-N 3.28Å; H54-G65 WeakPolarHBondContact CB-O 3.37Å; H54-S68 PolarHBondContact CD2-OG 3Å; H54-V69 HydrophobicContact CB-CG2 4.06Å; H54-V69 WeakPolarHBondContact O-CG2 3.37Å |
| 55 | C | 85.2 | Confident | 72.7 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -69.6 | -17.2 | 176.6 | -160.5 | 0 | 0 | 0 | 0 | 113.7 | C24 H52 R94 | C24-C55 HydrophobicContact CB-CB 3.56Å; C24-C55 WeakPolarHBondContact CB-SG 3.04Å; C24-C55 PolarHBondContact O-SG 2.99Å; C24-C55 WeakPolarHBondContact SG-CA 3.4Å; C24-C55 WeakPolarHBondContact SG-CB 3.44Å; C24-C55 CovalentContact SG-SG 2.03Å; C24-C55 PolarHBondContact SG-SG 2.86Å; H52-C55 HydrophobicContact CB-CB 4.45Å; H52-C55 VanDerWaalsContact O-CB 3.27Å; H52-C55 WeakPolarHBondContact O-CB 3.43Å; H52-C55 PolarHBondContact O-N 2.63Å; C55-R94 PolarHBondContact O-NE 3.32Å; C55-R94 VanDerWaalsContact O-NE 3.08Å; C55-R94 PolarHBondContact O-NH2 2.97Å; C55-R94 VanDerWaalsContact O-NH2 3.08Å |
| 56 | R | 79.8 | Confident | 71 | Confident | 56 Ų | 56 | 68.1 Ų | 68.1 | 21% | 0.211 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -58.4 | 159.6 | 177.2 | 70.1 | -177.1 | -173 | -166.4 | 1.1 | 112.9 | S27 H54 S58 E62 | S27-R56 WeakPolarHBondContact O-CB 3.28Å; H54-R56 PolarHBondContact O-N 3.28Å; R56-S58 PolarHBondContact O-N 2.61Å; R56-E62 IonicContact CZ-OE1 3.75Å; R56-E62 IonicContact CZ-OE2 2.97Å; R56-E62 IonicContact NE-OE2 3.47Å; R56-E62 PolarHBondContact NE-OE2 2.8Å; R56-E62 VanDerWaalsContact NH2-CD 3.33Å; R56-E62 IonicContact NH2-OE1 3.13Å; R56-E62 PolarHBondContact NH2-OE1 2.86Å; R56-E62 IonicContact NH2-OE2 2.61Å; R56-E62 PolarHBondContact NH2-OE2 3.02Å |
| 57 | E | 74.8 | Confident | 69.6 | Low | 29 Ų | 29 | 78.4 Ų | 78.4 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | trans | -67.4 | 99.8 | 169.2 | -68.4 | 171.7 | -172.1 | 0 | 0 | 109 | E28 R59 K81 K83 I92 S138 I139 | E28-E57 VanDerWaalsContact OE1-CB 3.27Å; E28-E57 WeakPolarHBondContact OE1-CB 3.35Å; E28-E57 WeakPolarHBondContact OE1-CG 3.45Å; E28-E57 PolarHBondContact OE1-N 2.97Å; E57-R59 PolarHBondContact O-N 2.03Å; E57-K81 IonicContact OE1-NZ 2.96Å; E57-K81 PolarHBondContact OE1-NZ 2.8Å; E57-K83 WeakPolarHBondContact OE1-CD 3.27Å; E57-K83 IonicContact OE1-NZ 3.03Å; E57-K83 PolarHBondContact OE1-NZ 3.01Å; E57-K83 IonicContact OE2-NZ 3.61Å; E57-K83 PolarHBondContact OE2-NZ 2.87Å; E57-I92 HydrophobicContact CG-CD1 3.84Å; E57-S138 VanDerWaalsContact CD-CA 3.48Å; E57-S138 VanDerWaalsContact OE2-CB 3.27Å; E57-S138 WeakPolarHBondContact OE2-CB 3.44Å; E57-I139 PolarHBondContact OE1-N 2.86Å | ||
| 58 | S | 61.4 | Low | 68.7 | Low | 14 Ų | 14 | 74.8 Ų | 74.8 | 10% | 0.098 | 39% | 0.386 | C | S | . | . | trans | -54.6 | 129.4 | 173.6 | 67.7 | 0 | 0 | 0 | 0 | 109.4 | R56 R66 | R56-S58 PolarHBondContact O-N 2.61Å; S58-R66 WeakPolarHBondContact OG-CD 3.29Å; S58-R66 WeakPolarHBondContact OG-CG 3.33Å; S58-R66 PolarHBondContact OG-NE 3.46Å; S58-R66 PolarHBondContact OG-NH1 3.24Å; S58-R66 PolarHBondContact OG-NH2 3.39Å | ||
| 59 | R | 56 | Low | 68.4 | Low | 184 Ų | 184 | 73.1 Ų | 73.1 | 69% | 0.694 | 38% | 0.378 | S | S | * | . | trans | -52.5 | 154.3 | 163 | -68.3 | -179.2 | 178.4 | 148.3 | -0.4 | 108.7 | E57 T61 E62 | E57-R59 PolarHBondContact O-N 2.03Å; R59-T61 PolarHBondContact O-N 3.08Å; R59-E62 PolarHBondContact O-N 3.27Å | ||
| 60 | P | 45 | Very low | 68.3 | Low | 127 Ų | 127 | 74.3 Ų | 74.3 | 83% | 0.825 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -26.1 | -178.7 | -28.3 | 34.3 | 0 | 0 | 0 | 114.4 | ||
| 61 | T | 45.7 | Very low | 68.4 | Low | 125 Ų | 125 | 72.2 Ų | 72.2 | 77% | 0.767 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.2 | 178.2 | 53.4 | 0 | 0 | 0 | 0 | 115.5 | R59 | R59-T61 PolarHBondContact O-N 3.08Š|
| 62 | E | 52.3 | Low | 68.7 | Low | 55 Ų | 55 | 70.4 Ų | 70.4 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | trans | -102.4 | 22.6 | -172.2 | -82.6 | -172.2 | -171.1 | 0 | 0 | 113.8 | R56 R59 A64 G65 | R56-E62 IonicContact CZ-OE1 3.75Å; R56-E62 IonicContact CZ-OE2 2.97Å; R56-E62 IonicContact NE-OE2 3.47Å; R56-E62 PolarHBondContact NE-OE2 2.8Å; R56-E62 VanDerWaalsContact NH2-CD 3.33Å; R56-E62 IonicContact NH2-OE1 3.13Å; R56-E62 PolarHBondContact NH2-OE1 2.86Å; R56-E62 IonicContact NH2-OE2 2.61Å; R56-E62 PolarHBondContact NH2-OE2 3.02Å; R59-E62 PolarHBondContact O-N 3.27Å; E62-A64 PolarHBondContact O-N 2.87Å; E62-G65 PolarHBondContact O-N 3.16Å | ||
| 63 | T | 53.7 | Low | 69 | Low | 81 Ų | 81 | 74 Ų | 74 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -54 | -26.7 | -178.2 | 37 | 0 | 0 | 0 | 0 | 114.3 | ||
| 64 | A | 49 | Very low | 69.7 | Low | 80 Ų | 80 | 70.6 Ų | 70.6 | 66% | 0.661 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E62 R66 R67 | E62-A64 PolarHBondContact O-N 2.87Å; A64-R66 PolarHBondContact O-N 2.91Å; A64-R67 WeakPolarHBondContact O-CB 3.22Å; A64-R67 PolarHBondContact O-N 2.86Å |
| 65 | G | 53 | Low | 70.1 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.4 | -34.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | H54 E62 R67 S68 | H54-G65 WeakPolarHBondContact CB-O 3.37Å; E62-G65 PolarHBondContact O-N 3.16Å; G65-R67 PolarHBondContact O-N 3.43Å; G65-R67 VanDerWaalsContact O-N 3.1Å; G65-S68 PolarHBondContact O-N 2.85Å; G65-S68 PolarHBondContact O-OG 2.83Å |
| 66 | R | 55.5 | Low | 70.2 | Confident | 42 Ų | 42 | 72.8 Ų | 72.8 | 16% | 0.158 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.6 | -26.6 | 175 | -85 | -175.8 | 170.2 | 154 | 6.1 | 113.5 | N7 S58 A64 S68 V69 S136 | N7-R66 PolarHBondContact ND2-NH1 2.69Å; S58-R66 WeakPolarHBondContact OG-CD 3.29Å; S58-R66 WeakPolarHBondContact OG-CG 3.33Å; S58-R66 PolarHBondContact OG-NE 3.46Å; S58-R66 PolarHBondContact OG-NH1 3.24Å; S58-R66 PolarHBondContact OG-NH2 3.39Å; A64-R66 PolarHBondContact O-N 2.91Å; R66-S68 PolarHBondContact O-N 2.94Å; R66-V69 PolarHBondContact O-N 3.36Å; R66-S136 VanDerWaalsContact CZ-O 3.32Å; R66-S136 PolarHBondContact NE-O 3.47Å; R66-S136 PolarHBondContact NH2-O 2.77Å; R66-S136 VanDerWaalsContact NH2-O 3.13Å |
| 67 | R | 60.6 | Low | 70.6 | Confident | 224 Ų | 224 | 70.1 Ų | 70.1 | 85% | 0.845 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.6 | -179.7 | -62.4 | -175.3 | 178.1 | -168.9 | -1 | 113.9 | A64 G65 | A64-R67 WeakPolarHBondContact O-CB 3.22Å; A64-R67 PolarHBondContact O-N 2.86Å; G65-R67 PolarHBondContact O-N 3.43Å; G65-R67 VanDerWaalsContact O-N 3.1Å |
| 68 | S | 73.9 | Confident | 71.3 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -15.1 | 176.9 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | H52 H54 G65 R66 | H52-S68 PolarHBondContact CE1-OG 3.23Å; H52-S68 VanDerWaalsContact CE1-OG 3.24Å; H52-S68 PolarHBondContact NE2-O 3.2Å; H54-S68 PolarHBondContact CD2-OG 3Å; G65-S68 PolarHBondContact O-N 2.85Å; G65-S68 PolarHBondContact O-OG 2.83Å; R66-S68 PolarHBondContact O-N 2.94Å |
| 69 | V | 83.3 | Confident | 72.8 | Confident | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -71 | 130.6 | 179.1 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | L22 C24 H54 R66 I71 | L22-V69 HydrophobicContact CB-CG1 3.9Å; L22-V69 HydrophobicContact CD2-CB 4.01Å; L22-V69 HydrophobicContact CD2-CG1 3.86Å; L22-V69 HydrophobicContact CG-CG1 4.29Å; C24-V69 HydrophobicContact CB-CG1 3.8Å; C24-V69 WeakPolarHBondContact SG-CG1 3.34Å; H54-V69 HydrophobicContact CB-CG2 4.06Å; H54-V69 WeakPolarHBondContact O-CG2 3.37Å; R66-V69 PolarHBondContact O-N 3.36Å; V69-I71 PolarHBondContact O-N 3.37Å |
| 70 | P | 88.7 | Confident | 74.5 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | trans | -53.5 | 137.4 | 177 | -27.9 | 35 | 0 | 0 | 0 | 112.8 | L22 S23 Y72 | L22-P70 WeakPolarHBondContact CA-O 3.19Å; S23-P70 PolarHBondContact N-O 3.13Å; P70-Y72 HydrophobicContact CB-CD2 4.22Å; P70-Y72 HydrophobicContact CB-CE2 3.8Å | ||
| 71 | I | 89.6 | Confident | 76.7 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.9 | 175.7 | -58.3 | 175.1 | 0 | 0 | 0 | 108.2 | Y20 C21 L22 V69 M133 | Y20-I71 HydrophobicContact CD1-CG2 4.28Å; Y20-I71 HydrophobicContact CG-CG2 4.45Å; C21-I71 CarbonylContact O-C 3.57Å; C21-I71 WeakPolarHBondContact O-CA 3.39Å; L22-I71 HydrophobicContact CD2-CG1 3.92Å; V69-I71 PolarHBondContact O-N 3.37Å; I71-M133 HydrophobicContact CD1-SD 4.04Å |
| 72 | Y | 92.3 | Very high | 78.9 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 145.9 | 179.8 | -82.5 | -93.6 | 0 | 0 | 0 | 112.2 | Y20 C21 P70 R99 | Y20-Y72 CarbonylContact C-O 3.49Å; Y20-Y72 VanDerWaalsContact CA-O 3.27Å; Y20-Y72 WeakPolarHBondContact CA-O 3.48Å; C21-Y72 PolarHBondContact N-O 2.86Å; C21-Y72 PolarHBondContact O-N 3.18Å; P70-Y72 HydrophobicContact CB-CD2 4.22Å; P70-Y72 HydrophobicContact CB-CE2 3.8Å; Y72-R99 VanDerWaalsContact CZ-NH2 3.32Å |
| 73 | Y | 92 | Very high | 80.8 | Confident | 118 Ų | 118 | 45.8 Ų | 45.8 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.4 | 168.9 | 174.4 | -97.4 | 0 | 0 | 0 | 110.1 | F18 Y20 P75 | F18-Y73 HydrophobicContact CB-CD2 4.46Å; F18-Y73 HydrophobicContact CB-CE2 3.57Å; F18-Y73 HydrophobicContact CD1-CE2 4.38Å; F18-Y73 AromaticContact CD2-CD2 3.98Å; F18-Y73 HydrophobicContact CD2-CD2 3.98Å; F18-Y73 AromaticContact CD2-CE2 3.47Å; F18-Y73 HydrophobicContact CD2-CE2 3.47Å; F18-Y73 VanDerWaalsContact CD2-CE2 3.47Å; F18-Y73 HydrophobicContact CE2-CE2 4.22Å; F18-Y73 HydrophobicContact CG-CD2 4.45Å; F18-Y73 AromaticContact CG-CE2 3.56Å; F18-Y73 HydrophobicContact CG-CE2 3.56Å; Y20-Y73 AromaticContact CE1-CD2 3.96Å; Y20-Y73 HydrophobicContact CE1-CD2 3.96Å; Y20-Y73 HydrophobicContact CE1-CG 4.47Å; Y73-P75 HydrophobicContact CD1-CG 4.11Å; Y73-P75 HydrophobicContact CE1-CB 4.22Å; Y73-P75 HydrophobicContact CE1-CG 3.77Å |
| 74 | C | 91.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 104.8 | -178.3 | -45.8 | 0 | 0 | 0 | 0 | 110 | F18 S19 C21 S76 G77 C96 | F18-C74 WeakPolarHBondContact CA-O 3.32Å; S19-C74 PolarHBondContact N-O 3.01Å; S19-C74 WeakPolarHBondContact O-CB 3.34Å; S19-C74 PolarHBondContact O-N 3.29Å; C21-C74 VanDerWaalsContact CB-SG 3.51Å; C21-C74 PolarHBondContact SG-SG 3.35Å; C74-S76 PolarHBondContact O-N 3.45Å; C74-G77 PolarHBondContact O-N 3.01Å; C74-C96 VanDerWaalsContact CA-SG 3.57Å; C74-C96 HydrophobicContact CB-CB 3.62Å; C74-C96 WeakPolarHBondContact CB-SG 3.23Å; C74-C96 VanDerWaalsContact SG-CA 3.57Å; C74-C96 WeakPolarHBondContact SG-CB 3.05Å; C74-C96 CovalentContact SG-SG 2Å; C74-C96 PolarHBondContact SG-SG 3.19Å |
| 75 | P | 88.5 | Confident | 84.4 | Confident | 80 Ų | 80 | 41 Ų | 41 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28 | 179.2 | -18.7 | 28 | 0 | 0 | 0 | 113.7 | N17 Y73 G77 | N17-P75 VanDerWaalsContact O-O 3.04Å; Y73-P75 HydrophobicContact CD1-CG 4.11Å; Y73-P75 HydrophobicContact CE1-CB 4.22Å; Y73-P75 HydrophobicContact CE1-CG 3.77Å; P75-G77 PolarHBondContact O-N 3.3Å |
| 76 | S | 86.9 | Confident | 86 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 25% | 0.245 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.1 | 175.2 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | C74 A78 D98 | C74-S76 PolarHBondContact O-N 3.45Å; S76-A78 PolarHBondContact O-N 3.08Å; S76-A78 PolarHBondContact OG-N 2.67Å; S76-D98 WeakPolarHBondContact CB-OD1 3.36Å; S76-D98 PolarHBondContact OG-OD1 3.13Å |
| 77 | G | 88.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | 70.4 | 13.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N17 S19 C74 P75 R129 S130 | N17-G77 WeakPolarHBondContact O-CA 3.23Å; N17-G77 PolarHBondContact O-N 3.05Å; S19-G77 PolarHBondContact OG-O 2.88Å; C74-G77 PolarHBondContact O-N 3.01Å; P75-G77 PolarHBondContact O-N 3.3Å; G77-R129 CarbonylContact O-C 3.43Å; G77-R129 WeakPolarHBondContact O-CA 3.25Å; G77-S130 PolarHBondContact O-N 3.18Å | ||
| 78 | A | 90.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S76 C96 W97 L105 V127 C128 R129 | S76-A78 PolarHBondContact O-N 3.08Å; S76-A78 PolarHBondContact OG-N 2.67Å; A78-C96 WeakPolarHBondContact O-CA 3.22Å; A78-W97 HydrophobicContact CB-CB 3.63Å; A78-W97 HydrophobicContact CB-CG 4.37Å; A78-W97 PolarHBondContact O-N 2.88Å; A78-L105 HydrophobicContact CB-CD2 3.62Å; A78-V127 HydrophobicContact CB-CG1 4.34Å; A78-C128 WeakPolarHBondContact CA-O 3.09Å; A78-R129 HydrophobicContact CB-CG 4.07Å |
| 79 | C | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 140.9 | 167.3 | -51.7 | 0 | 0 | 0 | 0 | 110.2 | C21 V127 C128 C134 N135 | C21-C79 HydrophobicContact CB-CB 3.68Å; C21-C79 WeakPolarHBondContact CB-SG 3.39Å; C21-C79 WeakPolarHBondContact SG-CA 3Å; C21-C79 WeakPolarHBondContact SG-CB 3.2Å; C21-C79 CovalentContact SG-SG 2Å; C21-C79 PolarHBondContact SG-SG 3.26Å; C79-V127 WeakPolarHBondContact O-CA 3.01Å; C79-C128 PolarHBondContact N-O 3.01Å; C79-C128 PolarHBondContact O-N 3Å; C79-C128 VanDerWaalsContact O-N 3.08Å; C79-C134 VanDerWaalsContact SG-SG 3.68Å; C79-N135 HydrophobicContact CB-CB 3.69Å |
| 80 | V | 92.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.8 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | I82 R94 E95 W97 L100 I125 C126 V127 N135 | V80-I82 HydrophobicContact CG1-CD1 4.28Å; V80-I82 HydrophobicContact CG1-CG1 3.86Å; V80-R94 WeakPolarHBondContact O-CA 3.27Å; V80-E95 PolarHBondContact N-O 2.87Å; V80-E95 PolarHBondContact O-N 3.15Å; V80-E95 VanDerWaalsContact O-N 3.14Å; V80-W97 HydrophobicContact CG2-CB 3.95Å; V80-W97 HydrophobicContact CG2-CD2 4.25Å; V80-W97 HydrophobicContact CG2-CE3 3.44Å; V80-W97 VanDerWaalsContact CG2-CE3 3.44Å; V80-W97 HydrophobicContact CG2-CZ3 4.23Å; V80-L100 HydrophobicContact CB-CD2 4.24Å; V80-L100 HydrophobicContact CG1-CD2 3.75Å; V80-I125 HydrophobicContact CG1-CD1 3.94Å; V80-I125 HydrophobicContact CG1-CG1 4.01Å; V80-C126 CarbonylContact C-O 3.59Å; V80-C126 WeakPolarHBondContact CA-O 3.26Å; V80-V127 HydrophobicContact CG2-CG1 4.28Å; V80-V127 HydrophobicContact CG2-CG2 4.21Å; V80-N135 WeakPolarHBondContact O-CB 3.38Å; V80-N135 PolarHBondContact O-ND2 3.18Å |
| 81 | K | 92.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.1 | 160.8 | 178.3 | 176.1 | 174.5 | -165.5 | 0 | 109.3 | E57 V93 R94 I125 C126 N135 G137 I139 | E57-K81 IonicContact OE1-NZ 2.96Å; E57-K81 PolarHBondContact OE1-NZ 2.8Å; K81-V93 CarbonylContact C-O 3.19Å; K81-V93 VanDerWaalsContact CA-O 3.27Å; K81-V93 WeakPolarHBondContact CA-O 3.31Å; K81-R94 HydrophobicContact CG-CG 4.25Å; K81-I125 CarbonylContact O-C 3.51Å; K81-I125 WeakPolarHBondContact O-CA 3.3Å; K81-C126 HydrophobicContact CB-CB 4.43Å; K81-C126 PolarHBondContact N-O 3.2Å; K81-C126 PolarHBondContact O-N 2.74Å; K81-N135 HydrophobicContact CB-CB 4.14Å; K81-G137 PolarHBondContact NZ-O 3.16Å; K81-I139 HydrophobicContact CB-CD1 4.45Å; K81-I139 HydrophobicContact CD-CD1 3.55Å; K81-I139 HydrophobicContact CD-CG1 4.01Å; K81-I139 HydrophobicContact CG-CD1 3.81Å |
| 82 | I | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.8 | 170.4 | -57.7 | 174.7 | 0 | 0 | 0 | 107.4 | M46 V80 F91 I92 V93 L100 W101 F115 M118 A123 H124 I125 | M46-I82 HydrophobicContact CE-CD1 3.23Å; M46-I82 HydrophobicContact SD-CD1 4.41Å; V80-I82 HydrophobicContact CG1-CD1 4.28Å; V80-I82 HydrophobicContact CG1-CG1 3.86Å; I82-F91 HydrophobicContact CG2-CE2 4.09Å; I82-I92 CarbonylContact O-C 3.55Å; I82-I92 VanDerWaalsContact O-CA 3.28Å; I82-I92 WeakPolarHBondContact O-CA 3.33Å; I82-V93 HydrophobicContact CB-CB 4.25Å; I82-V93 PolarHBondContact N-O 3.04Å; I82-V93 PolarHBondContact O-N 2.93Å; I82-L100 HydrophobicContact CD1-CD2 3.89Å; I82-W101 HydrophobicContact CD1-CH2 3.97Å; I82-W101 HydrophobicContact CD1-CZ3 4.11Å; I82-F115 HydrophobicContact CD1-CD1 4.21Å; I82-F115 HydrophobicContact CD1-CE1 3.92Å; I82-F115 HydrophobicContact CG2-CD1 4.23Å; I82-M118 HydrophobicContact CG2-SD 4.27Å; I82-A123 HydrophobicContact CG2-CB 4.33Å; I82-H124 CarbonylContact C-O 3.55Å; I82-H124 VanDerWaalsContact CA-O 3.28Å; I82-H124 WeakPolarHBondContact CA-O 3.41Å; I82-I125 HydrophobicContact CD1-CD1 4.21Å; I82-I125 HydrophobicContact CG1-CB 4.23Å; I82-I125 HydrophobicContact CG1-CD1 4.14Å; I82-I125 HydrophobicContact CG1-CG1 4Å |
| 83 | K | 91 | Very high | 89.3 | Confident | 18 Ų | 18 | 36 Ų | 36 | 8% | 0.078 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 128.7 | 174.8 | -169.5 | -175.4 | -176.6 | 175 | 0 | 108.1 | E57 T90 F91 I92 A123 H124 I139 F141 | E57-K83 WeakPolarHBondContact OE1-CD 3.27Å; E57-K83 IonicContact OE1-NZ 3.03Å; E57-K83 PolarHBondContact OE1-NZ 3.01Å; E57-K83 IonicContact OE2-NZ 3.61Å; E57-K83 PolarHBondContact OE2-NZ 2.87Å; K83-T90 HydrophobicContact CD-CG2 4.46Å; K83-T90 HydrophobicContact CG-CG2 3.96Å; K83-F91 WeakPolarHBondContact CA-O 3.38Å; K83-I92 HydrophobicContact CB-CG1 4.31Å; K83-I92 HydrophobicContact CD-CG1 4.47Å; K83-I92 HydrophobicContact CG-CD1 4.5Å; K83-I92 HydrophobicContact CG-CG1 3.85Å; K83-A123 CarbonylContact O-C 3.56Å; K83-A123 WeakPolarHBondContact O-CA 2.98Å; K83-H124 PolarHBondContact N-O 3.27Å; K83-H124 PolarHBondContact O-N 2.83Å; K83-I139 HydrophobicContact CB-CD1 4.22Å; K83-I139 HydrophobicContact CD-CB 4.15Å; K83-I139 PolarHBondContact NZ-O 2.95Å; K83-F141 HydrophobicContact CB-CZ 3.98Å; K83-F141 HydrophobicContact CD-CD2 4.23Å; K83-F141 HydrophobicContact CD-CE2 3.49Å; K83-F141 VanDerWaalsContact CD-CE2 3.49Å; K83-F141 HydrophobicContact CD-CZ 3.68Å; K83-F141 VanDerWaalsContact CE-CE2 3.41Å; K83-F141 HydrophobicContact CG-CE1 4.45Å; K83-F141 HydrophobicContact CG-CE2 3.73Å; K83-F141 HydrophobicContact CG-CZ 3.49Å; K83-F141 VanDerWaalsContact CG-CZ 3.49Å |
| 84 | G | 89.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | -178.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T90 F91 | G84-T90 CarbonylContact O-C 3.56Å; G84-T90 VanDerWaalsContact O-CA 3.28Å; G84-T90 WeakPolarHBondContact O-CA 3.28Å; G84-F91 VanDerWaalsContact C-CD1 3.5Å; G84-F91 PolarHBondContact N-O 3.24Å; G84-F91 VanDerWaalsContact N-O 3.16Å; G84-F91 VanDerWaalsContact O-CD1 3.29Å; G84-F91 WeakPolarHBondContact O-CD1 3.43Å; G84-F91 PolarHBondContact O-N 2.88Å |
| 85 | I | 89 | Confident | 89.6 | Confident | 62 Ų | 62 | 30.7 Ų | 30.7 | 32% | 0.318 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.8 | 179.3 | -58.1 | 174.9 | 0 | 0 | 0 | 108.9 | Q89 T121 | I85-Q89 CarbonylContact C-O 3.55Å; I85-Q89 WeakPolarHBondContact CA-O 3.48Å; I85-T121 PolarHBondContact N-O 2.78Å; I85-T121 VanDerWaalsContact O-CA 3.23Å; I85-T121 WeakPolarHBondContact O-CA 3.04Å; I85-T121 WeakPolarHBondContact O-CB 3.26Å; I85-T121 WeakPolarHBondContact O-CG2 3.48Å |
| 86 | F | 87.2 | Confident | 89.8 | Confident | 33 Ų | 33 | 26.9 Ų | 26.9 | 15% | 0.145 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.6 | 176.6 | -179.2 | -101.2 | 0 | 0 | 0 | 109.1 | L37 Y40 D88 Q89 F91 T121 | L37-F86 HydrophobicContact CB-CD1 4.01Å; L37-F86 HydrophobicContact CB-CE1 4.14Å; L37-F86 HydrophobicContact CD1-CB 3.74Å; L37-F86 HydrophobicContact CD1-CD1 3.79Å; L37-F86 HydrophobicContact CD1-CD2 4.32Å; L37-F86 HydrophobicContact CD1-CE1 4.46Å; L37-F86 HydrophobicContact CD1-CG 3.7Å; Y40-F86 HydrophobicContact CD1-CD2 4.07Å; Y40-F86 HydrophobicContact CD1-CE2 4.17Å; Y40-F86 HydrophobicContact CD2-CD2 4.32Å; Y40-F86 AromaticContact CD2-CE2 3.8Å; Y40-F86 HydrophobicContact CD2-CE2 3.8Å; Y40-F86 HydrophobicContact CE1-CD2 4.45Å; Y40-F86 HydrophobicContact CE2-CE2 4.46Å; Y40-F86 HydrophobicContact CG-CD2 4Å; Y40-F86 AromaticContact CG-CE2 3.62Å; Y40-F86 HydrophobicContact CG-CE2 3.62Å; Y40-F86 HydrophobicContact CG-CZ 4.33Å; F86-D88 VanDerWaalsContact C-N 3.32Å; F86-D88 PolarHBondContact O-N 3.28Å; F86-Q89 PolarHBondContact N-O 2.76Å; F86-Q89 WeakPolarHBondContact O-CA 3.1Å; F86-Q89 VanDerWaalsContact O-CB 3.23Å; F86-Q89 WeakPolarHBondContact O-CB 3.45Å; F86-Q89 PolarHBondContact O-N 2.79Å; F86-F91 HydrophobicContact CB-CD1 3.84Å; F86-F91 HydrophobicContact CB-CE1 4.04Å; F86-T121 HydrophobicContact CB-CG2 4.43Å; F86-T121 HydrophobicContact CD2-CG2 4.1Å |
| 87 | K | 86.3 | Confident | 90.1 | Very high | 137 Ų | 137 | 25.6 Ų | 25.6 | 60% | 0.596 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 47.7 | -176.6 | -59.5 | 179.7 | 178.6 | 176.3 | 0 | 113.3 | D35 Q89 | D35-K87 PolarHBondContact O-NZ 2.81Å; K87-Q89 VanDerWaalsContact O-CG 3.29Å; K87-Q89 WeakPolarHBondContact O-CG 3.27Å; K87-Q89 PolarHBondContact O-N 2.78Å |
| 88 | D | 83.7 | Confident | 90.2 | Very high | 161 Ų | 161 | 28.3 Ų | 28.3 | 86% | 0.861 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 16.5 | -176.7 | -49.5 | -47 | 0 | 0 | 0 | 114.9 | F86 | F86-D88 VanDerWaalsContact C-N 3.32Å; F86-D88 PolarHBondContact O-N 3.28Å |
| 89 | Q | 83.5 | Confident | 90.4 | Very high | 64 Ų | 64 | 32.7 Ų | 32.7 | 30% | 0.299 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.6 | -177.4 | -47.8 | -164.6 | -20.8 | 0 | 0 | 111.4 | M32 I85 F86 K87 F91 | M32-Q89 HydrophobicContact CE-CB 3.43Å; M32-Q89 VanDerWaalsContact CE-CB 3.43Å; M32-Q89 HydrophobicContact CE-CG 3.13Å; M32-Q89 VanDerWaalsContact CE-NE2 3.33Å; M32-Q89 VanDerWaalsContact CG-CD 3.43Å; M32-Q89 HydrophobicContact CG-CG 4.45Å; M32-Q89 HydrophobicContact SD-CB 3.47Å; M32-Q89 WeakPolarHBondContact SD-CB 3.28Å; M32-Q89 HydrophobicContact SD-CG 3.58Å; M32-Q89 VanDerWaalsContact SD-CG 3.58Å; M32-Q89 PolarHBondContact SD-OE1 3.21Å; I85-Q89 CarbonylContact C-O 3.55Å; I85-Q89 WeakPolarHBondContact CA-O 3.48Å; F86-Q89 PolarHBondContact N-O 2.76Å; F86-Q89 WeakPolarHBondContact O-CA 3.1Å; F86-Q89 VanDerWaalsContact O-CB 3.23Å; F86-Q89 WeakPolarHBondContact O-CB 3.45Å; F86-Q89 PolarHBondContact O-N 2.79Å; K87-Q89 VanDerWaalsContact O-CG 3.29Å; K87-Q89 WeakPolarHBondContact O-CG 3.27Å; K87-Q89 PolarHBondContact O-N 2.78Å; Q89-F91 PolarHBondContact O-N 2.82Å |
| 90 | T | 87.2 | Confident | 90.5 | Very high | 39 Ų | 39 | 32.7 Ų | 32.7 | 24% | 0.239 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 121 | 173 | -53.3 | 0 | 0 | 0 | 0 | 110.7 | S27 E28 K83 G84 F141 | S27-T90 WeakPolarHBondContact CA-O 3.47Å; S27-T90 PolarHBondContact OG-O 3.21Å; E28-T90 HydrophobicContact CB-CG2 4.46Å; E28-T90 HydrophobicContact CG-CG2 3.76Å; E28-T90 PolarHBondContact N-O 2.88Å; E28-T90 VanDerWaalsContact N-O 3.14Å; K83-T90 HydrophobicContact CD-CG2 4.46Å; K83-T90 HydrophobicContact CG-CG2 3.96Å; G84-T90 CarbonylContact O-C 3.56Å; G84-T90 VanDerWaalsContact O-CA 3.28Å; G84-T90 WeakPolarHBondContact O-CA 3.28Å; T90-F141 HydrophobicContact CG2-CE2 4.44Å |
| 91 | F | 88.5 | Confident | 90.4 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 155.2 | 172.5 | 71.4 | -91.7 | 0 | 0 | 0 | 111.6 | G26 L37 L41 I82 K83 G84 F86 Q89 V93 M118 T121 A123 | G26-F91 WeakPolarHBondContact O-CA 3.3Å; L37-F91 HydrophobicContact CD1-CB 4.31Å; L37-F91 HydrophobicContact CD1-CD1 3.86Å; L37-F91 HydrophobicContact CD1-CD2 4.45Å; L37-F91 HydrophobicContact CD1-CE1 4.26Å; L37-F91 HydrophobicContact CD1-CG 3.96Å; L37-F91 HydrophobicContact CD2-CB 3.56Å; L37-F91 HydrophobicContact CD2-CD2 4.49Å; L37-F91 HydrophobicContact CD2-CG 4.01Å; L41-F91 HydrophobicContact CD2-CD2 4.47Å; L41-F91 HydrophobicContact CD2-CE2 3.94Å; L41-F91 HydrophobicContact CD2-CZ 4.33Å; I82-F91 HydrophobicContact CG2-CE2 4.09Å; K83-F91 WeakPolarHBondContact CA-O 3.38Å; G84-F91 VanDerWaalsContact C-CD1 3.5Å; G84-F91 PolarHBondContact N-O 3.24Å; G84-F91 VanDerWaalsContact N-O 3.16Å; G84-F91 VanDerWaalsContact O-CD1 3.29Å; G84-F91 WeakPolarHBondContact O-CD1 3.43Å; G84-F91 PolarHBondContact O-N 2.88Å; F86-F91 HydrophobicContact CB-CD1 3.84Å; F86-F91 HydrophobicContact CB-CE1 4.04Å; Q89-F91 PolarHBondContact O-N 2.82Å; F91-V93 HydrophobicContact CD2-CG2 4.22Å; F91-V93 HydrophobicContact CE2-CG2 4.44Å; F91-M118 HydrophobicContact CZ-SD 4.24Å; F91-T121 HydrophobicContact CE1-CG2 4.45Å; F91-A123 HydrophobicContact CZ-CB 4.39Å |
| 92 | I | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.5 | 174 | -70.5 | 168.8 | 0 | 0 | 0 | 109.3 | I25 G26 E28 E57 I82 K83 R94 | I25-I92 CarbonylContact C-O 3.6Å; I25-I92 WeakPolarHBondContact CA-O 3.47Å; G26-I92 PolarHBondContact N-O 3Å; G26-I92 PolarHBondContact O-N 2.82Å; E28-I92 HydrophobicContact CG-CD1 4.3Å; E28-I92 WeakPolarHBondContact OE1-CD1 3.27Å; E57-I92 HydrophobicContact CG-CD1 3.84Å; I82-I92 CarbonylContact O-C 3.55Å; I82-I92 VanDerWaalsContact O-CA 3.28Å; I82-I92 WeakPolarHBondContact O-CA 3.33Å; K83-I92 HydrophobicContact CB-CG1 4.31Å; K83-I92 HydrophobicContact CD-CG1 4.47Å; K83-I92 HydrophobicContact CG-CD1 4.5Å; K83-I92 HydrophobicContact CG-CG1 3.85Å; I92-R94 HydrophobicContact CG2-CG 3.82Å |
| 93 | V | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.8 | 167.5 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | I25 L41 P49 K81 I82 F91 L100 | I25-V93 HydrophobicContact CD1-CG2 4.29Å; I25-V93 HydrophobicContact CG1-CG2 4.16Å; L41-V93 HydrophobicContact CD1-CG2 3.92Å; P49-V93 HydrophobicContact CG-CG1 4.21Å; K81-V93 CarbonylContact C-O 3.19Å; K81-V93 VanDerWaalsContact CA-O 3.27Å; K81-V93 WeakPolarHBondContact CA-O 3.31Å; I82-V93 HydrophobicContact CB-CB 4.25Å; I82-V93 PolarHBondContact N-O 3.04Å; I82-V93 PolarHBondContact O-N 2.93Å; F91-V93 HydrophobicContact CD2-CG2 4.22Å; F91-V93 HydrophobicContact CE2-CG2 4.44Å; V93-L100 HydrophobicContact CG1-CD1 3.78Å |
| 94 | R | 93.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.011 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.3 | 174.5 | -61 | -179.9 | -159.7 | -112.1 | 4.7 | 107.8 | L22 S23 C24 C55 V80 K81 I92 N135 S136 G137 | L22-R94 HydrophobicContact CB-CB 4.25Å; L22-R94 CarbonylContact O-C 3.55Å; L22-R94 WeakPolarHBondContact O-CB 3.45Å; S23-R94 CarbonylContact C-O 3.58Å; S23-R94 VanDerWaalsContact CA-O 3.22Å; S23-R94 WeakPolarHBondContact CA-O 3.36Å; C24-R94 PolarHBondContact N-O 3.04Å; C24-R94 PolarHBondContact O-N 3.14Å; C55-R94 PolarHBondContact O-NE 3.32Å; C55-R94 VanDerWaalsContact O-NE 3.08Å; C55-R94 PolarHBondContact O-NH2 2.97Å; C55-R94 VanDerWaalsContact O-NH2 3.08Å; V80-R94 WeakPolarHBondContact O-CA 3.27Å; K81-R94 HydrophobicContact CG-CG 4.25Å; I92-R94 HydrophobicContact CG2-CG 3.82Å; R94-N135 WeakPolarHBondContact CD-O 3.43Å; R94-N135 PolarHBondContact NH1-O 3.13Å; R94-S136 VanDerWaalsContact NH1-CA 3.3Å; R94-S136 PolarHBondContact NH1-O 3.43Å; R94-G137 PolarHBondContact NH1-O 3.33Å |
| 95 | E | 95 | Very high | 88.9 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 170.1 | 178.2 | -169.7 | 45.7 | -66.2 | 0 | 0 | 111.2 | L22 S23 V80 R99 L100 | L22-E95 WeakPolarHBondContact O-CA 3.46Å; L22-E95 PolarHBondContact O-N 2.96Å; S23-E95 WeakPolarHBondContact CB-OE1 3.45Å; S23-E95 PolarHBondContact OG-OE1 2.76Å; S23-E95 PolarHBondContact OG-OE2 2.88Å; V80-E95 PolarHBondContact N-O 2.87Å; V80-E95 PolarHBondContact O-N 3.15Å; V80-E95 VanDerWaalsContact O-N 3.14Å; E95-R99 HydrophobicContact CG-CB 3.77Å; E95-R99 IonicContact OE1-NE 2.6Å; E95-R99 PolarHBondContact OE1-NE 3.21Å; E95-R99 IonicContact OE2-CZ 3.92Å; E95-R99 IonicContact OE2-NE 2.88Å; E95-R99 PolarHBondContact OE2-NE 2.89Å; E95-R99 VanDerWaalsContact OE2-NE 3.13Å; E95-R99 IonicContact OE2-NH2 3.33Å; E95-R99 PolarHBondContact OE2-NH2 2.95Å; E95-L100 HydrophobicContact CB-CB 4.18Å; E95-L100 HydrophobicContact CB-CD1 4.24Å; E95-L100 HydrophobicContact CG-CB 4.16Å |
| 96 | C | 94 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 140 | 158.6 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | C74 A78 D98 R99 L100 | C74-C96 VanDerWaalsContact CA-SG 3.57Å; C74-C96 HydrophobicContact CB-CB 3.62Å; C74-C96 WeakPolarHBondContact CB-SG 3.23Å; C74-C96 VanDerWaalsContact SG-CA 3.57Å; C74-C96 WeakPolarHBondContact SG-CB 3.05Å; C74-C96 CovalentContact SG-SG 2Å; C74-C96 PolarHBondContact SG-SG 3.19Å; A78-C96 WeakPolarHBondContact O-CA 3.22Å; C96-D98 VanDerWaalsContact C-N 3.34Å; C96-D98 PolarHBondContact O-N 3.35Å; C96-R99 HydrophobicContact CB-CB 4Å; C96-R99 HydrophobicContact CB-CG 3.96Å; C96-R99 PolarHBondContact O-N 2.92Å; C96-R99 VanDerWaalsContact SG-CD 3.59Å; C96-L100 WeakPolarHBondContact O-CB 3.38Å; C96-L100 PolarHBondContact O-N 2.87Å |
| 97 | W | 92.5 | Very high | 87.3 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -51.7 | -49.8 | 177.4 | 174.8 | -84.7 | 0 | 0 | 0 | 113.5 | A78 V80 R99 L100 W101 Q103 L105 W109 I125 V127 | A78-W97 HydrophobicContact CB-CB 3.63Å; A78-W97 HydrophobicContact CB-CG 4.37Å; A78-W97 PolarHBondContact O-N 2.88Å; V80-W97 HydrophobicContact CG2-CB 3.95Å; V80-W97 HydrophobicContact CG2-CD2 4.25Å; V80-W97 HydrophobicContact CG2-CE3 3.44Å; V80-W97 VanDerWaalsContact CG2-CE3 3.44Å; V80-W97 HydrophobicContact CG2-CZ3 4.23Å; W97-R99 VanDerWaalsContact C-N 3.3Å; W97-R99 PolarHBondContact O-N 2.99Å; W97-L100 PolarHBondContact O-N 3.06Å; W97-W101 AromaticContact CD2-NE1 3.59Å; W97-W101 AromaticContact CE2-CD1 3.98Å; W97-W101 AromaticContact CE2-NE1 3.25Å; W97-W101 HydrophobicContact CE3-CZ2 4.18Å; W97-W101 AromaticContact CE3-NE1 3.8Å; W97-W101 AromaticContact CH2-CE2 3.49Å; W97-W101 VanDerWaalsContact CH2-CE2 3.49Å; W97-W101 AromaticContact CH2-CZ2 3.36Å; W97-W101 HydrophobicContact CH2-CZ2 3.36Å; W97-W101 AromaticContact CH2-NE1 3.13Å; W97-W101 AromaticContact CZ2-CD1 3.96Å; W97-W101 AromaticContact CZ2-CE2 3.89Å; W97-W101 HydrophobicContact CZ2-CZ2 4.21Å; W97-W101 AromaticContact CZ2-NE1 3.05Å; W97-W101 AromaticContact CZ3-CE2 3.8Å; W97-W101 AromaticContact CZ3-CZ2 3.4Å; W97-W101 HydrophobicContact CZ3-CZ2 3.4Å; W97-W101 VanDerWaalsContact CZ3-CZ2 3.4Å; W97-W101 AromaticContact CZ3-NE1 3.59Å; W97-W101 AromaticContact NE1-NE1 3.88Å; W97-W101 PolarHBondContact O-N 2.75Å; W97-Q103 HydrophobicContact CZ2-CB 3.84Å; W97-Q103 PolarHBondContact NE1-O 2.8Å; W97-L105 HydrophobicContact CD2-CB 4.29Å; W97-L105 HydrophobicContact CD2-CD1 3.64Å; W97-L105 HydrophobicContact CE3-CD1 3.72Å; W97-L105 HydrophobicContact CG-CB 4.32Å; W97-L105 HydrophobicContact CG-CD1 4.12Å; W97-L105 HydrophobicContact CZ2-CD1 4.38Å; W97-L105 HydrophobicContact CZ3-CD1 4.22Å; W97-W109 HydrophobicContact CH2-CD2 4.42Å; W97-W109 AromaticContact CH2-CE3 3.29Å; W97-W109 HydrophobicContact CH2-CE3 3.29Å; W97-W109 AromaticContact CH2-CH2 3.93Å; W97-W109 HydrophobicContact CH2-CH2 3.93Å; W97-W109 AromaticContact CH2-CZ3 3.05Å; W97-W109 HydrophobicContact CH2-CZ3 3.05Å; W97-W109 HydrophobicContact CZ2-CE3 4.23Å; W97-W109 HydrophobicContact CZ2-CZ3 4.07Å; W97-W109 AromaticContact CZ3-CE3 3.47Å; W97-W109 HydrophobicContact CZ3-CE3 3.47Å; W97-W109 VanDerWaalsContact CZ3-CE3 3.47Å; W97-W109 AromaticContact CZ3-CZ3 3.57Å; W97-W109 HydrophobicContact CZ3-CZ3 3.57Å; W97-I125 HydrophobicContact CZ3-CD1 4.19Å; W97-V127 HydrophobicContact CE3-CG1 4.22Å; W97-V127 HydrophobicContact CE3-CG2 4.14Å; W97-V127 HydrophobicContact CZ3-CG2 4.04Å |
| 98 | D | 90.9 | Very high | 86.4 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 31% | 0.305 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73.3 | -20.6 | -175.6 | 51.9 | -55.1 | 0 | 0 | 0 | 113.7 | S76 C96 | S76-D98 WeakPolarHBondContact CB-OD1 3.36Å; S76-D98 PolarHBondContact OG-OD1 3.13Å; C96-D98 VanDerWaalsContact C-N 3.34Å; C96-D98 PolarHBondContact O-N 3.35Å |
| 99 | R | 94.3 | Very high | 85.9 | Confident | 93 Ų | 93 | 52 Ų | 52 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -84.5 | -35.8 | 172.1 | -70.6 | 174 | 57.2 | 112.7 | -3.8 | 111.7 | R47 Y72 E95 C96 W97 | R47-R99 VanDerWaalsContact CB-O 3.24Å; R47-R99 WeakPolarHBondContact CB-O 3.34Å; R47-R99 WeakPolarHBondContact CD-O 3.45Å; Y72-R99 VanDerWaalsContact CZ-NH2 3.32Å; E95-R99 HydrophobicContact CG-CB 3.77Å; E95-R99 IonicContact OE1-NE 2.6Å; E95-R99 PolarHBondContact OE1-NE 3.21Å; E95-R99 IonicContact OE2-CZ 3.92Å; E95-R99 IonicContact OE2-NE 2.88Å; E95-R99 PolarHBondContact OE2-NE 2.89Å; E95-R99 VanDerWaalsContact OE2-NE 3.13Å; E95-R99 IonicContact OE2-NH2 3.33Å; E95-R99 PolarHBondContact OE2-NH2 2.95Å; C96-R99 HydrophobicContact CB-CB 4Å; C96-R99 HydrophobicContact CB-CG 3.96Å; C96-R99 PolarHBondContact O-N 2.92Å; C96-R99 VanDerWaalsContact SG-CD 3.59Å; W97-R99 VanDerWaalsContact C-N 3.3Å; W97-R99 PolarHBondContact O-N 2.99Å |
| 100 | L | 93.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | -177.2 | -174.2 | 65 | 0 | 0 | 0 | 112.4 | M46 R47 V80 I82 V93 E95 C96 W97 | M46-L100 CarbonylContact C-O 3.59Å; M46-L100 WeakPolarHBondContact CA-O 3.41Å; M46-L100 HydrophobicContact CB-CD1 4.32Å; M46-L100 HydrophobicContact CG-CD1 4.38Å; M46-L100 HydrophobicContact SD-CD1 4.4Å; R47-L100 PolarHBondContact N-O 2.95Å; V80-L100 HydrophobicContact CB-CD2 4.24Å; V80-L100 HydrophobicContact CG1-CD2 3.75Å; I82-L100 HydrophobicContact CD1-CD2 3.89Å; V93-L100 HydrophobicContact CG1-CD1 3.78Å; E95-L100 HydrophobicContact CB-CB 4.18Å; E95-L100 HydrophobicContact CB-CD1 4.24Å; E95-L100 HydrophobicContact CG-CB 4.16Å; C96-L100 WeakPolarHBondContact O-CB 3.38Å; C96-L100 PolarHBondContact O-N 2.87Å; W97-L100 PolarHBondContact O-N 3.06Å |
| 101 | W | 90.1 | Very high | 85.7 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | trans | -163.3 | 171.8 | -179.9 | 50.4 | 35.7 | 0 | 0 | 0 | 112.6 | M46 I82 W97 Q103 F115 I125 | M46-W101 HydrophobicContact CE-CE3 4.02Å; M46-W101 HydrophobicContact CE-CH2 4.3Å; M46-W101 HydrophobicContact CE-CZ3 3.38Å; M46-W101 HydrophobicContact CG-CE3 3.88Å; M46-W101 HydrophobicContact CG-CZ3 4.19Å; I82-W101 HydrophobicContact CD1-CH2 3.97Å; I82-W101 HydrophobicContact CD1-CZ3 4.11Å; W97-W101 AromaticContact CD2-NE1 3.59Å; W97-W101 AromaticContact CE2-CD1 3.98Å; W97-W101 AromaticContact CE2-NE1 3.25Å; W97-W101 HydrophobicContact CE3-CZ2 4.18Å; W97-W101 AromaticContact CE3-NE1 3.8Å; W97-W101 AromaticContact CH2-CE2 3.49Å; W97-W101 VanDerWaalsContact CH2-CE2 3.49Å; W97-W101 AromaticContact CH2-CZ2 3.36Å; W97-W101 HydrophobicContact CH2-CZ2 3.36Å; W97-W101 AromaticContact CH2-NE1 3.13Å; W97-W101 AromaticContact CZ2-CD1 3.96Å; W97-W101 AromaticContact CZ2-CE2 3.89Å; W97-W101 HydrophobicContact CZ2-CZ2 4.21Å; W97-W101 AromaticContact CZ2-NE1 3.05Å; W97-W101 AromaticContact CZ3-CE2 3.8Å; W97-W101 AromaticContact CZ3-CZ2 3.4Å; W97-W101 HydrophobicContact CZ3-CZ2 3.4Å; W97-W101 VanDerWaalsContact CZ3-CZ2 3.4Å; W97-W101 AromaticContact CZ3-NE1 3.59Å; W97-W101 AromaticContact NE1-NE1 3.88Å; W97-W101 PolarHBondContact O-N 2.75Å; W101-Q103 VanDerWaalsContact C-N 3.29Å; W101-Q103 HydrophobicContact CD2-CG 4.36Å; W101-Q103 HydrophobicContact CG-CB 4.13Å; W101-Q103 HydrophobicContact CG-CG 4.06Å; W101-Q103 PolarHBondContact O-N 2.83Å; W101-F115 AromaticContact CH2-CE1 3.87Å; W101-F115 HydrophobicContact CH2-CE1 3.87Å; W101-F115 AromaticContact CH2-CE2 3.72Å; W101-F115 HydrophobicContact CH2-CE2 3.72Å; W101-F115 AromaticContact CH2-CZ 3.21Å; W101-F115 HydrophobicContact CH2-CZ 3.21Å; W101-F115 HydrophobicContact CZ2-CZ 4.42Å; W101-F115 AromaticContact CZ3-CE1 3.8Å; W101-F115 HydrophobicContact CZ3-CE1 3.8Å; W101-F115 HydrophobicContact CZ3-CE2 4.19Å; W101-F115 AromaticContact CZ3-CZ 3.27Å; W101-F115 HydrophobicContact CZ3-CZ 3.27Å; W101-I125 HydrophobicContact CH2-CD1 3.55Å; W101-I125 HydrophobicContact CZ2-CD1 3.68Å | ||
| 102 | N | 86.6 | Confident | 85.5 | Confident | 122 Ų | 122 | 53.6 Ų | 53.6 | 65% | 0.652 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -91 | 24.7 | 176.5 | -68.4 | -28.7 | 0 | 0 | 0 | 113.7 | R47 | R47-N102 PolarHBondContact NH1-OD1 3.46Å; R47-N102 VanDerWaalsContact NH2-CG 3.35Å; R47-N102 PolarHBondContact NH2-ND2 3.42Å; R47-N102 PolarHBondContact NH2-OD1 2.87Å |
| 103 | Q | 84.8 | Confident | 85.2 | Confident | 102 Ų | 102 | 57.6 Ų | 57.6 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | trans | -83.1 | 137.8 | 176.9 | -64.6 | -63.5 | -25.4 | 0 | 0 | 110.1 | W97 W101 L105 | W97-Q103 HydrophobicContact CZ2-CB 3.84Å; W97-Q103 PolarHBondContact NE1-O 2.8Å; W101-Q103 VanDerWaalsContact C-N 3.29Å; W101-Q103 HydrophobicContact CD2-CG 4.36Å; W101-Q103 HydrophobicContact CG-CB 4.13Å; W101-Q103 HydrophobicContact CG-CG 4.06Å; W101-Q103 PolarHBondContact O-N 2.83Å; Q103-L105 PolarHBondContact O-N 2.94Å | ||
| 104 | P | 84.3 | Confident | 84.8 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 55% | 0.552 | 32% | 0.32 | S | S | * | . | trans | -67.4 | 136 | 174.5 | 27.9 | -33.1 | 0 | 0 | 0 | 110 | K106 | P104-K106 PolarHBondContact O-N 2.7Å; P104-K106 VanDerWaalsContact O-N 3.16Å | ||
| 105 | L | 78.4 | Confident | 84.5 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | trans | -71.9 | 108.8 | 171.8 | -175.4 | 66.2 | 0 | 0 | 0 | 108.6 | A78 W97 Q103 W109 V127 R129 | A78-L105 HydrophobicContact CB-CD2 3.62Å; W97-L105 HydrophobicContact CD2-CB 4.29Å; W97-L105 HydrophobicContact CD2-CD1 3.64Å; W97-L105 HydrophobicContact CE3-CD1 3.72Å; W97-L105 HydrophobicContact CG-CB 4.32Å; W97-L105 HydrophobicContact CG-CD1 4.12Å; W97-L105 HydrophobicContact CZ2-CD1 4.38Å; W97-L105 HydrophobicContact CZ3-CD1 4.22Å; Q103-L105 PolarHBondContact O-N 2.94Å; L105-W109 HydrophobicContact CD1-CB 4.3Å; L105-V127 HydrophobicContact CD1-CG1 3.94Å; L105-R129 HydrophobicContact CD2-CG 4.18Å | ||
| 106 | K | 72.6 | Confident | 84 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | trans | -80.2 | 149.6 | 179 | -59 | -178.2 | -178.6 | 178.7 | 0 | 110.4 | P104 W109 | P104-K106 PolarHBondContact O-N 2.7Å; P104-K106 VanDerWaalsContact O-N 3.16Å; K106-W109 HydrophobicContact CB-CG 4.24Å; K106-W109 HydrophobicContact CD-CZ2 4.12Å; K106-W109 HydrophobicContact CG-CZ2 4.48Å; K106-W109 PolarHBondContact O-N 2.03Å | ||
| 107 | H | 68.9 | Low | 83.5 | Confident | 183 Ų | 183 | 70.4 Ų | 70.4 | 85% | 0.847 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 140.4 | 170.1 | -165.9 | 70.9 | 0 | 0 | 0 | 110 | ||
| 108 | G | 68.4 | Low | 83.3 | Confident | 64 Ų | 64 | 70 Ų | 70 | 66% | 0.66 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -0.1 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | E110 | G108-E110 VanDerWaalsContact C-N 3.26Å; G108-E110 PolarHBondContact O-N 3.46Å |
| 109 | W | 73.8 | Confident | 83 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 35% | 0.352 | 38% | 0.383 | S | S | . | . | trans | -77.4 | -10.3 | 174.6 | -79.7 | 33.1 | 0 | 0 | 0 | 113.8 | W97 L105 K106 G111 V127 | W97-W109 HydrophobicContact CH2-CD2 4.42Å; W97-W109 AromaticContact CH2-CE3 3.29Å; W97-W109 HydrophobicContact CH2-CE3 3.29Å; W97-W109 AromaticContact CH2-CH2 3.93Å; W97-W109 HydrophobicContact CH2-CH2 3.93Å; W97-W109 AromaticContact CH2-CZ3 3.05Å; W97-W109 HydrophobicContact CH2-CZ3 3.05Å; W97-W109 HydrophobicContact CZ2-CE3 4.23Å; W97-W109 HydrophobicContact CZ2-CZ3 4.07Å; W97-W109 AromaticContact CZ3-CE3 3.47Å; W97-W109 HydrophobicContact CZ3-CE3 3.47Å; W97-W109 VanDerWaalsContact CZ3-CE3 3.47Å; W97-W109 AromaticContact CZ3-CZ3 3.57Å; W97-W109 HydrophobicContact CZ3-CZ3 3.57Å; L105-W109 HydrophobicContact CD1-CB 4.3Å; K106-W109 HydrophobicContact CB-CG 4.24Å; K106-W109 HydrophobicContact CD-CZ2 4.12Å; K106-W109 HydrophobicContact CG-CZ2 4.48Å; K106-W109 PolarHBondContact O-N 2.03Å; W109-G111 PolarHBondContact O-N 2.71Å; W109-V127 WeakPolarHBondContact O-CB 3.32Å | ||
| 110 | E | 82 | Confident | 82.7 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 40% | 0.397 | 39% | 0.393 | S | S | . | . | trans | -59.1 | 122.5 | 170.7 | -75.2 | -179.9 | -122.2 | 0 | 0 | 109.4 | K12 G108 V127 R129 | K12-E110 IonicContact NZ-OE1 2.99Å; K12-E110 PolarHBondContact NZ-OE1 3.13Å; K12-E110 IonicContact NZ-OE2 3.48Å; K12-E110 PolarHBondContact NZ-OE2 2.65Å; G108-E110 VanDerWaalsContact C-N 3.26Å; G108-E110 PolarHBondContact O-N 3.46Å; E110-V127 WeakPolarHBondContact CA-O 3.38Å; E110-R129 HydrophobicContact CG-CB 4.07Å; E110-R129 HydrophobicContact CG-CG 3.71Å; E110-R129 WeakPolarHBondContact OE1-CD 3.24Å | ||
| 111 | G | 83.6 | Confident | 82.2 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 24% | 0.237 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.2 | -168.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W109 C126 V127 | W109-G111 PolarHBondContact O-N 2.71Å; G111-C126 CarbonylContact O-C 3.55Å; G111-C126 WeakPolarHBondContact O-CA 3.21Å; G111-V127 PolarHBondContact N-O 3.42Å; G111-V127 PolarHBondContact O-N 3.38Å |
| 112 | C | 84 | Confident | 81.9 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 20% | 0.203 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.2 | 175.4 | -67.5 | 0 | 0 | 0 | 0 | 108.9 | W4 I125 C126 L144 | W4-C112 WeakPolarHBondContact CH2-SG 3.29Å; C112-I125 CarbonylContact C-O 3.49Å; C112-I125 VanDerWaalsContact CA-O 3.26Å; C112-I125 WeakPolarHBondContact CA-O 3.37Å; C112-C126 HydrophobicContact CB-CB 4.14Å; C112-C126 WeakPolarHBondContact CB-SG 3.42Å; C112-C126 WeakPolarHBondContact SG-CB 3.47Å; C112-C126 CovalentContact SG-SG 2.03Å; C112-C126 PolarHBondContact SG-SG 3.3Å; C112-L144 HydrophobicContact CB-CD1 4.26Å; C112-L144 HydrophobicContact CB-CD2 3.46Å; C112-L144 VanDerWaalsContact CB-CD2 3.46Å |
| 113 | T | 84.1 | Confident | 82 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 52% | 0.521 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 164.1 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | H124 I125 | T113-H124 CarbonylContact O-C 3.39Å; T113-H124 VanDerWaalsContact O-CA 3.3Å; T113-H124 WeakPolarHBondContact O-CA 2.95Å; T113-I125 HydrophobicContact CG2-CG2 3.78Å; T113-I125 PolarHBondContact N-O 2.66Å; T113-I125 PolarHBondContact O-N 3.44Å |
| 114 | F | 85.7 | Confident | 82.2 | Confident | 75 Ų | 75 | 66.7 Ų | 66.7 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 141.6 | 163.7 | -171.8 | -99.1 | 0 | 0 | 0 | 110.1 | D116 A119 H124 | F114-D116 WeakPolarHBondContact CD1-OD1 3.06Å; F114-A119 HydrophobicContact CE1-CB 3.91Å; F114-A119 HydrophobicContact CZ-CB 4.13Å; F114-H124 AromaticContact CD2-NE2 3.98Å |
| 115 | F | 87.2 | Confident | 82.5 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | trans | -103.3 | 90.8 | -175.8 | -170.5 | -146.2 | 0 | 0 | 0 | 111 | M46 I82 W101 A117 M118 A123 I125 | M46-F115 HydrophobicContact CE-CE1 3.61Å; M46-F115 HydrophobicContact CE-CZ 4.26Å; I82-F115 HydrophobicContact CD1-CD1 4.21Å; I82-F115 HydrophobicContact CD1-CE1 3.92Å; I82-F115 HydrophobicContact CG2-CD1 4.23Å; W101-F115 AromaticContact CH2-CE1 3.87Å; W101-F115 HydrophobicContact CH2-CE1 3.87Å; W101-F115 AromaticContact CH2-CE2 3.72Å; W101-F115 HydrophobicContact CH2-CE2 3.72Å; W101-F115 AromaticContact CH2-CZ 3.21Å; W101-F115 HydrophobicContact CH2-CZ 3.21Å; W101-F115 HydrophobicContact CZ2-CZ 4.42Å; W101-F115 AromaticContact CZ3-CE1 3.8Å; W101-F115 HydrophobicContact CZ3-CE1 3.8Å; W101-F115 HydrophobicContact CZ3-CE2 4.19Å; W101-F115 AromaticContact CZ3-CZ 3.27Å; W101-F115 HydrophobicContact CZ3-CZ 3.27Å; F115-A117 HydrophobicContact CD2-CB 4.32Å; F115-A117 HydrophobicContact CE1-CB 4.11Å; F115-A117 HydrophobicContact CE2-CB 3.69Å; F115-A117 HydrophobicContact CZ-CB 3.54Å; F115-A117 PolarHBondContact O-N 2.88Å; F115-M118 HydrophobicContact CD1-CB 3.89Å; F115-M118 HydrophobicContact CD1-CG 3.83Å; F115-M118 HydrophobicContact CD1-SD 3.66Å; F115-M118 HydrophobicContact CE1-CB 4.37Å; F115-M118 HydrophobicContact CE1-CE 4.27Å; F115-M118 HydrophobicContact CE1-CG 3.85Å; F115-M118 HydrophobicContact CE1-SD 3.67Å; F115-M118 CarbonylContact O-C 3.52Å; F115-M118 WeakPolarHBondContact O-CA 3.36Å; F115-M118 PolarHBondContact O-N 2.73Å; F115-A123 HydrophobicContact CB-CB 4.24Å; F115-A123 WeakPolarHBondContact CB-O 3.08Å; F115-A123 PolarHBondContact N-O 3.03Å; F115-I125 HydrophobicContact CB-CB 4.01Å; F115-I125 HydrophobicContact CB-CG2 3.84Å; F115-I125 HydrophobicContact CD2-CB 4.19Å; F115-I125 HydrophobicContact CD2-CD1 4.4Å; F115-I125 HydrophobicContact CD2-CG2 3.79Å; F115-I125 HydrophobicContact CE2-CD1 4.39Å; F115-I125 HydrophobicContact CG-CB 4Å; F115-I125 HydrophobicContact CG-CG2 3.95Å | ||
| 116 | D | 84.2 | Confident | 83 | Confident | 131 Ų | 131 | 61 Ų | 61 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -52.8 | -32 | -173.7 | -60.9 | -26.6 | 0 | 0 | 0 | 114.4 | F114 M118 A119 | F114-D116 WeakPolarHBondContact CD1-OD1 3.06Å; D116-M118 PolarHBondContact O-N 2Å; D116-M118 VanDerWaalsContact O-N 3.15Å; D116-A119 PolarHBondContact O-N 2Å |
| 117 | A | 84.3 | Confident | 83.8 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -64.6 | -18.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K44 F115 | K44-A117 WeakPolarHBondContact CD-O 3.14Å; K44-A117 WeakPolarHBondContact CE-O 2.99Å; K44-A117 PolarHBondContact NZ-O 3.08Å; F115-A117 HydrophobicContact CD2-CB 4.32Å; F115-A117 HydrophobicContact CE1-CB 4.11Å; F115-A117 HydrophobicContact CE2-CB 3.69Å; F115-A117 HydrophobicContact CZ-CB 3.54Å; F115-A117 PolarHBondContact O-N 2.88Å |
| 118 | M | 87.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -125.8 | 35.4 | -177.2 | -74.9 | -176.1 | 171 | 0 | 0 | 110.9 | Y40 L41 K44 M46 I82 F91 F115 D116 D120 T121 A123 | Y40-M118 HydrophobicContact CE1-CE 4.02Å; Y40-M118 HydrophobicContact CE1-CG 4.25Å; Y40-M118 HydrophobicContact CE1-SD 4.31Å; L41-M118 HydrophobicContact CD2-CE 3.32Å; L41-M118 HydrophobicContact CD2-SD 4.27Å; K44-M118 HydrophobicContact CB-CE 3.68Å; K44-M118 HydrophobicContact CD-CG 4.46Å; K44-M118 HydrophobicContact CG-CE 3.55Å; K44-M118 HydrophobicContact CG-CG 4.01Å; M46-M118 HydrophobicContact CE-CE 3.15Å; M46-M118 HydrophobicContact CE-SD 3.92Å; M46-M118 HydrophobicContact SD-CE 3.61Å; I82-M118 HydrophobicContact CG2-SD 4.27Å; F91-M118 HydrophobicContact CZ-SD 4.24Å; F115-M118 HydrophobicContact CD1-CB 3.89Å; F115-M118 HydrophobicContact CD1-CG 3.83Å; F115-M118 HydrophobicContact CD1-SD 3.66Å; F115-M118 HydrophobicContact CE1-CB 4.37Å; F115-M118 HydrophobicContact CE1-CE 4.27Å; F115-M118 HydrophobicContact CE1-CG 3.85Å; F115-M118 HydrophobicContact CE1-SD 3.67Å; F115-M118 CarbonylContact O-C 3.52Å; F115-M118 WeakPolarHBondContact O-CA 3.36Å; F115-M118 PolarHBondContact O-N 2.73Å; D116-M118 PolarHBondContact O-N 2Å; D116-M118 VanDerWaalsContact O-N 3.15Å; M118-D120 PolarHBondContact O-N 2.83Å; M118-T121 WeakPolarHBondContact CB-OG1 3.38Å; M118-T121 PolarHBondContact O-N 2Å; M118-T121 PolarHBondContact O-OG1 2.96Å; M118-A123 HydrophobicContact CB-CB 3.6Å; M118-A123 HydrophobicContact SD-CB 4.17Å |
| 119 | A | 84.7 | Confident | 85.5 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 48% | 0.479 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -56 | -25.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F114 D116 T121 | F114-A119 HydrophobicContact CE1-CB 3.91Å; F114-A119 HydrophobicContact CZ-CB 4.13Å; D116-A119 PolarHBondContact O-N 2Å; A119-T121 PolarHBondContact O-N 3.1Å |
| 120 | D | 86.9 | Confident | 85.9 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -74.6 | -5.6 | 177.2 | 57.7 | -67.4 | 0 | 0 | 0 | 114.8 | Y40 K44 M118 | Y40-D120 WeakPolarHBondContact CE2-OD2 3.02Å; Y40-D120 VanDerWaalsContact CZ-OD2 3.22Å; Y40-D120 PolarHBondContact OH-OD1 2.87Å; Y40-D120 PolarHBondContact OH-OD2 2.87Å; K44-D120 IonicContact NZ-OD1 2.65Å; K44-D120 PolarHBondContact NZ-OD1 2.91Å; M118-D120 PolarHBondContact O-N 2.83Å |
| 121 | T | 83.4 | Confident | 85.9 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -125.5 | 12.6 | -175.9 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | Y40 I85 F86 F91 M118 A119 A123 | Y40-T121 HydrophobicContact CE1-CG2 3.78Å; Y40-T121 HydrophobicContact CE2-CG2 4.35Å; Y40-T121 VanDerWaalsContact OH-CG2 3.23Å; Y40-T121 WeakPolarHBondContact OH-CG2 3.49Å; I85-T121 PolarHBondContact N-O 2.78Å; I85-T121 VanDerWaalsContact O-CA 3.23Å; I85-T121 WeakPolarHBondContact O-CA 3.04Å; I85-T121 WeakPolarHBondContact O-CB 3.26Å; I85-T121 WeakPolarHBondContact O-CG2 3.48Å; F86-T121 HydrophobicContact CB-CG2 4.43Å; F86-T121 HydrophobicContact CD2-CG2 4.1Å; F91-T121 HydrophobicContact CE1-CG2 4.45Å; M118-T121 WeakPolarHBondContact CB-OG1 3.38Å; M118-T121 PolarHBondContact O-N 2Å; M118-T121 PolarHBondContact O-OG1 2.96Å; A119-T121 PolarHBondContact O-N 3.1Å; T121-A123 PolarHBondContact O-N 2.8Å; T121-A123 WeakPolarHBondContact OG1-CB 3.49Å |
| 122 | E | 84.9 | Confident | 86 | Confident | 126 Ų | 126 | 42.4 Ų | 42.4 | 59% | 0.589 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 36 | -172.1 | -60 | -175.4 | 174.6 | 0 | 0 | 112.3 | H124 | E122-H124 PolarHBondContact O-CD2 3.19Å; E122-H124 VanDerWaalsContact O-CD2 3.28Å |
| 123 | A | 88.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -76.6 | 140.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I82 K83 F91 F115 M118 T121 | I82-A123 HydrophobicContact CG2-CB 4.33Å; K83-A123 CarbonylContact O-C 3.56Å; K83-A123 WeakPolarHBondContact O-CA 2.98Å; F91-A123 HydrophobicContact CZ-CB 4.39Å; F115-A123 HydrophobicContact CB-CB 4.24Å; F115-A123 WeakPolarHBondContact CB-O 3.08Å; F115-A123 PolarHBondContact N-O 3.03Å; M118-A123 HydrophobicContact CB-CB 3.6Å; M118-A123 HydrophobicContact SD-CB 4.17Å; T121-A123 PolarHBondContact O-N 2.8Å; T121-A123 WeakPolarHBondContact OG1-CB 3.49Å | ||
| 124 | H | 88.8 | Confident | 85.9 | Confident | 26 Ų | 26 | 40.1 Ų | 40.1 | 12% | 0.12 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139 | 172.9 | -72.5 | -132 | 0 | 0 | 0 | 108.8 | I82 K83 T113 F114 E122 F141 L144 | I82-H124 CarbonylContact C-O 3.55Å; I82-H124 VanDerWaalsContact CA-O 3.28Å; I82-H124 WeakPolarHBondContact CA-O 3.41Å; K83-H124 PolarHBondContact N-O 3.27Å; K83-H124 PolarHBondContact O-N 2.83Å; T113-H124 CarbonylContact O-C 3.39Å; T113-H124 VanDerWaalsContact O-CA 3.3Å; T113-H124 WeakPolarHBondContact O-CA 2.95Å; F114-H124 AromaticContact CD2-NE2 3.98Å; E122-H124 PolarHBondContact O-CD2 3.19Å; E122-H124 VanDerWaalsContact O-CD2 3.28Å; H124-F141 HydrophobicContact CB-CE1 4.28Å; H124-F141 AromaticContact CD2-CD1 3.81Å; H124-F141 AromaticContact CD2-CE1 3.71Å; H124-L144 HydrophobicContact CB-CD1 4.33Å; H124-L144 VanDerWaalsContact CE1-CB 3.49Å; H124-L144 WeakPolarHBondContact CE1-CB 3.16Å; H124-L144 WeakPolarHBondContact ND1-CB 3.33Å; H124-L144 VanDerWaalsContact ND1-CD1 3.26Å; H124-L144 WeakPolarHBondContact ND1-CD1 3.37Å |
| 125 | I | 89.2 | Confident | 86.1 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.3 | 173.9 | -177.1 | 162.6 | 0 | 0 | 0 | 109.5 | V80 K81 I82 W97 W101 C112 T113 F115 V127 | V80-I125 HydrophobicContact CG1-CD1 3.94Å; V80-I125 HydrophobicContact CG1-CG1 4.01Å; K81-I125 CarbonylContact O-C 3.51Å; K81-I125 WeakPolarHBondContact O-CA 3.3Å; I82-I125 HydrophobicContact CD1-CD1 4.21Å; I82-I125 HydrophobicContact CG1-CB 4.23Å; I82-I125 HydrophobicContact CG1-CD1 4.14Å; I82-I125 HydrophobicContact CG1-CG1 4Å; W97-I125 HydrophobicContact CZ3-CD1 4.19Å; W101-I125 HydrophobicContact CH2-CD1 3.55Å; W101-I125 HydrophobicContact CZ2-CD1 3.68Å; C112-I125 CarbonylContact C-O 3.49Å; C112-I125 VanDerWaalsContact CA-O 3.26Å; C112-I125 WeakPolarHBondContact CA-O 3.37Å; T113-I125 HydrophobicContact CG2-CG2 3.78Å; T113-I125 PolarHBondContact N-O 2.66Å; T113-I125 PolarHBondContact O-N 3.44Å; F115-I125 HydrophobicContact CB-CB 4.01Å; F115-I125 HydrophobicContact CB-CG2 3.84Å; F115-I125 HydrophobicContact CD2-CB 4.19Å; F115-I125 HydrophobicContact CD2-CD1 4.4Å; F115-I125 HydrophobicContact CD2-CG2 3.79Å; F115-I125 HydrophobicContact CE2-CD1 4.39Å; F115-I125 HydrophobicContact CG-CB 4Å; F115-I125 HydrophobicContact CG-CG2 3.95Å; I125-V127 HydrophobicContact CD1-CG2 4.23Å; I125-V127 HydrophobicContact CG1-CG2 4.01Å |
| 126 | C | 89.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.1 | 171.5 | -65 | 0 | 0 | 0 | 0 | 109.8 | V80 K81 G111 C112 I139 | V80-C126 CarbonylContact C-O 3.59Å; V80-C126 WeakPolarHBondContact CA-O 3.26Å; K81-C126 HydrophobicContact CB-CB 4.43Å; K81-C126 PolarHBondContact N-O 3.2Å; K81-C126 PolarHBondContact O-N 2.74Å; G111-C126 CarbonylContact O-C 3.55Å; G111-C126 WeakPolarHBondContact O-CA 3.21Å; C112-C126 HydrophobicContact CB-CB 4.14Å; C112-C126 WeakPolarHBondContact CB-SG 3.42Å; C112-C126 WeakPolarHBondContact SG-CB 3.47Å; C112-C126 CovalentContact SG-SG 2.03Å; C112-C126 PolarHBondContact SG-SG 3.3Å; C126-I139 HydrophobicContact CB-CD1 4.16Å; C126-I139 WeakPolarHBondContact SG-CD1 3.45Å |
| 127 | V | 89.5 | Confident | 85.3 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.8 | 177 | -166 | 0 | 0 | 0 | 0 | 109.2 | A78 C79 V80 W97 L105 W109 E110 G111 I125 | A78-V127 HydrophobicContact CB-CG1 4.34Å; C79-V127 WeakPolarHBondContact O-CA 3.01Å; V80-V127 HydrophobicContact CG2-CG1 4.28Å; V80-V127 HydrophobicContact CG2-CG2 4.21Å; W97-V127 HydrophobicContact CE3-CG1 4.22Å; W97-V127 HydrophobicContact CE3-CG2 4.14Å; W97-V127 HydrophobicContact CZ3-CG2 4.04Å; L105-V127 HydrophobicContact CD1-CG1 3.94Å; W109-V127 WeakPolarHBondContact O-CB 3.32Å; E110-V127 WeakPolarHBondContact CA-O 3.38Å; G111-V127 PolarHBondContact N-O 3.42Å; G111-V127 PolarHBondContact O-N 3.38Å; I125-V127 HydrophobicContact CD1-CG2 4.23Å; I125-V127 HydrophobicContact CG1-CG2 4.01Å |
| 128 | C | 87.3 | Confident | 84.6 | Confident | 17 Ų | 17 | 30.7 Ų | 30.7 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145 | 176.3 | 45.3 | 0 | 0 | 0 | 0 | 109.2 | A78 C79 C134 | A78-C128 WeakPolarHBondContact CA-O 3.09Å; C79-C128 PolarHBondContact N-O 3.01Å; C79-C128 PolarHBondContact O-N 3Å; C79-C128 VanDerWaalsContact O-N 3.08Å; C128-C134 HydrophobicContact CB-CB 3.73Å; C128-C134 WeakPolarHBondContact CB-SG 3.14Å; C128-C134 VanDerWaalsContact SG-C 3.57Å; C128-C134 WeakPolarHBondContact SG-CB 3.26Å; C128-C134 CovalentContact SG-SG 2Å; C128-C134 PolarHBondContact SG-SG 3.31Å |
| 129 | R | 85.8 | Confident | 83.4 | Confident | 85 Ų | 85 | 31.2 Ų | 31.2 | 32% | 0.321 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.4 | -173.3 | -64.2 | -178.6 | 73.4 | -161.9 | 1.5 | 113 | G77 A78 L105 E110 N131 | G77-R129 CarbonylContact O-C 3.43Å; G77-R129 WeakPolarHBondContact O-CA 3.25Å; A78-R129 HydrophobicContact CB-CG 4.07Å; L105-R129 HydrophobicContact CD2-CG 4.18Å; E110-R129 HydrophobicContact CG-CB 4.07Å; E110-R129 HydrophobicContact CG-CG 3.71Å; E110-R129 WeakPolarHBondContact OE1-CD 3.24Å; R129-N131 PolarHBondContact O-N 3.19Å |
| 130 | S | 83 | Confident | 82.2 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 54.4 | 35.7 | 175.5 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | Q13 K16 S19 G77 | Q13-S130 PolarHBondContact N-O 2.97Å; K16-S130 WeakPolarHBondContact O-CB 3.38Å; K16-S130 PolarHBondContact O-OG 2.94Å; S19-S130 VanDerWaalsContact OG-CA 3.26Å; S19-S130 WeakPolarHBondContact OG-CA 3.49Å; S19-S130 PolarHBondContact OG-N 2.97Å; G77-S130 PolarHBondContact O-N 3.18Å |
| 131 | N | 81.6 | Confident | 80.5 | Confident | 28 Ų | 28 | 31.4 Ų | 31.4 | 15% | 0.15 | 16% | 0.164 | C | C | . | . | trans | -142.5 | 115 | -174.5 | -167.9 | -3.9 | 0 | 0 | 0 | 109.5 | F10 S19 R129 C134 | F10-N131 WeakPolarHBondContact CB-OD1 3.11Å; F10-N131 PolarHBondContact O-ND2 3.05Å; F10-N131 PolarHBondContact O-OD1 3.25Å; S19-N131 PolarHBondContact OG-N 3.03Å; R129-N131 PolarHBondContact O-N 3.19Å; N131-C134 HydrophobicContact CB-CB 3.88Å; N131-C134 PolarHBondContact O-SG 3.02Å | ||
| 132 | D | 84.2 | Confident | 78.6 | Confident | 24 Ų | 24 | 34 Ų | 34 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 136.5 | -175.1 | -67.8 | -20.7 | 0 | 0 | 0 | 111.1 | F10 K16 S19 Y20 C134 | F10-D132 HydrophobicContact CD1-CB 4.12Å; F10-D132 HydrophobicContact CE1-CB 4.41Å; F10-D132 WeakPolarHBondContact CG-O 3.35Å; K16-D132 IonicContact NZ-OD1 3.05Å; K16-D132 PolarHBondContact NZ-OD1 2.93Å; K16-D132 IonicContact NZ-OD2 2.73Å; K16-D132 PolarHBondContact NZ-OD2 2.88Å; S19-D132 WeakPolarHBondContact CA-OD1 3.33Å; Y20-D132 PolarHBondContact N-OD1 3.08Å; Y20-D132 CarbonylContact O-C 3.58Å; Y20-D132 WeakPolarHBondContact O-CA 3.18Å; D132-C134 PolarHBondContact O-N 2.79Å |
| 133 | M | 82.9 | Confident | 76.6 | Confident | 50 Ų | 50 | 30.3 Ų | 30.3 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 24.8 | 175.2 | -57.8 | 173.5 | -74.7 | 0 | 0 | 112.7 | F10 Y20 I71 N135 S136 | F10-M133 HydrophobicContact CE1-CE 3.71Å; F10-M133 HydrophobicContact CE2-CE 3.74Å; F10-M133 HydrophobicContact CZ-CE 3.23Å; Y20-M133 PolarHBondContact O-N 3.24Å; I71-M133 HydrophobicContact CD1-SD 4.04Å; M133-N135 PolarHBondContact O-N 3.33Å; M133-S136 WeakPolarHBondContact O-CB 3.4Å; M133-S136 PolarHBondContact O-N 3.4Å; M133-S136 PolarHBondContact O-OG 2.73Å |
| 134 | C | 83.9 | Confident | 74.6 | Confident | 16 Ų | 16 | 31.6 Ų | 31.6 | 11% | 0.108 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -64.4 | -23.3 | 178.8 | 60.1 | 0 | 0 | 0 | 0 | 111.5 | C79 C128 N131 D132 S136 | C79-C134 VanDerWaalsContact SG-SG 3.68Å; C128-C134 HydrophobicContact CB-CB 3.73Å; C128-C134 WeakPolarHBondContact CB-SG 3.14Å; C128-C134 VanDerWaalsContact SG-C 3.57Å; C128-C134 WeakPolarHBondContact SG-CB 3.26Å; C128-C134 CovalentContact SG-SG 2Å; C128-C134 PolarHBondContact SG-SG 3.31Å; N131-C134 HydrophobicContact CB-CB 3.88Å; N131-C134 PolarHBondContact O-SG 3.02Å; D132-C134 PolarHBondContact O-N 2.79Å; C134-S136 PolarHBondContact O-N 3.5Å |
| 135 | N | 89.1 | Confident | 72.3 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -77.6 | 10.7 | 170 | 75.1 | -17 | 0 | 0 | 0 | 114 | L22 C79 V80 K81 R94 M133 | L22-N135 PolarHBondContact N-OD1 3.25Å; L22-N135 PolarHBondContact O-ND2 3.02Å; C79-N135 HydrophobicContact CB-CB 3.69Å; V80-N135 WeakPolarHBondContact O-CB 3.38Å; V80-N135 PolarHBondContact O-ND2 3.18Å; K81-N135 HydrophobicContact CB-CB 4.14Å; R94-N135 WeakPolarHBondContact CD-O 3.43Å; R94-N135 PolarHBondContact NH1-O 3.13Å; M133-N135 PolarHBondContact O-N 3.33Å |
| 136 | S | 82.3 | Confident | 70 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -85.7 | -21.9 | 177.3 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | N7 R66 R94 M133 C134 | N7-S136 PolarHBondContact ND2-OG 2.88Å; R66-S136 VanDerWaalsContact CZ-O 3.32Å; R66-S136 PolarHBondContact NE-O 3.47Å; R66-S136 PolarHBondContact NH2-O 2.77Å; R66-S136 VanDerWaalsContact NH2-O 3.13Å; R94-S136 VanDerWaalsContact NH1-CA 3.3Å; R94-S136 PolarHBondContact NH1-O 3.43Å; M133-S136 WeakPolarHBondContact O-CB 3.4Å; M133-S136 PolarHBondContact O-N 3.4Å; M133-S136 PolarHBondContact O-OG 2.73Å; C134-S136 PolarHBondContact O-N 3.5Å |
| 137 | G | 73.8 | Confident | 67.5 | Low | 10 Ų | 10 | 47.9 Ų | 47.9 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -62.2 | 170.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y5 K81 R94 | Y5-G137 VanDerWaalsContact O-CA 3.3Å; Y5-G137 WeakPolarHBondContact O-CA 3.15Å; K81-G137 PolarHBondContact NZ-O 3.16Å; R94-G137 PolarHBondContact NH1-O 3.33Å |
| 138 | S | 69.1 | Low | 64.9 | Low | 52 Ų | 52 | 52.2 Ų | 52.2 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | trans | -85.5 | 142.9 | 168.7 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | E57 | E57-S138 VanDerWaalsContact CD-CA 3.48Å; E57-S138 VanDerWaalsContact OE2-CB 3.27Å; E57-S138 WeakPolarHBondContact OE2-CB 3.44Å | ||
| 139 | I | 62.7 | Low | 62.5 | Low | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | trans | -108.1 | 112.2 | 168.7 | -64.9 | 166.9 | 0 | 0 | 0 | 105.8 | E57 K81 K83 C126 L144 | E57-I139 PolarHBondContact OE1-N 2.86Å; K81-I139 HydrophobicContact CB-CD1 4.45Å; K81-I139 HydrophobicContact CD-CD1 3.55Å; K81-I139 HydrophobicContact CD-CG1 4.01Å; K81-I139 HydrophobicContact CG-CD1 3.81Å; K83-I139 HydrophobicContact CB-CD1 4.22Å; K83-I139 HydrophobicContact CD-CB 4.15Å; K83-I139 PolarHBondContact NZ-O 2.95Å; C126-I139 HydrophobicContact CB-CD1 4.16Å; C126-I139 WeakPolarHBondContact SG-CD1 3.45Å; I139-L144 HydrophobicContact CG2-CD1 3.38Å | ||
| 140 | D | 58.6 | Low | 60.2 | Low | 105 Ų | 105 | 56.7 Ų | 56.7 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | trans | -84.4 | 113.8 | 166.3 | -172.7 | -5.6 | 0 | 0 | 0 | 108.7 | G142 S143 | D140-G142 PolarHBondContact O-N 3.43Å; D140-G142 PolarHBondContact OD1-N 3.2Å; D140-S143 WeakPolarHBondContact O-CB 3.38Å; D140-S143 PolarHBondContact O-N 2.64Å | ||
| 141 | F | 52.4 | Low | 58.4 | Low | 58 Ų | 58 | 63.8 Ų | 63.8 | 25% | 0.254 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -58.3 | -33.9 | 177.5 | -74.2 | -73.6 | 0 | 0 | 0 | 111.6 | K83 T90 H124 S143 L144 | K83-F141 HydrophobicContact CB-CZ 3.98Å; K83-F141 HydrophobicContact CD-CD2 4.23Å; K83-F141 HydrophobicContact CD-CE2 3.49Å; K83-F141 VanDerWaalsContact CD-CE2 3.49Å; K83-F141 HydrophobicContact CD-CZ 3.68Å; K83-F141 VanDerWaalsContact CE-CE2 3.41Å; K83-F141 HydrophobicContact CG-CE1 4.45Å; K83-F141 HydrophobicContact CG-CE2 3.73Å; K83-F141 HydrophobicContact CG-CZ 3.49Å; K83-F141 VanDerWaalsContact CG-CZ 3.49Å; T90-F141 HydrophobicContact CG2-CE2 4.44Å; H124-F141 HydrophobicContact CB-CE1 4.28Å; H124-F141 AromaticContact CD2-CD1 3.81Å; H124-F141 AromaticContact CD2-CE1 3.71Å; F141-S143 PolarHBondContact O-N 3.43Å; F141-L144 PolarHBondContact O-N 3.45Å; F141-L144 VanDerWaalsContact O-N 3.08Å |
| 142 | G | 42.6 | Very low | 56.2 | Low | 59 Ų | 59 | 71.3 Ų | 71.3 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -64.6 | -22.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D140 | D140-G142 PolarHBondContact O-N 3.43Å; D140-G142 PolarHBondContact OD1-N 3.2Å |
| 143 | S | 44.4 | Very low | 54.2 | Low | 49 Ų | 49 | 77.4 Ų | 77.4 | 34% | 0.343 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -86.6 | -6.3 | 177.5 | -61.7 | 0 | 0 | 0 | 0 | 113.4 | H2 D140 F141 | H2-S143 PolarHBondContact CE1-O 3.48Å; H2-S143 PolarHBondContact ND1-O 3.05Å; D140-S143 WeakPolarHBondContact O-CB 3.38Å; D140-S143 PolarHBondContact O-N 2.64Å; F141-S143 PolarHBondContact O-N 3.43Å |
| 144 | L | 46.2 | Very low | 52.2 | Low | 27 Ų | 27 | 81.4 Ų | 81.4 | 14% | 0.141 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -10 | -177.6 | -80.2 | 154.4 | 0 | 0 | 0 | 114.1 | C112 H124 I139 F141 M146 F147 | C112-L144 HydrophobicContact CB-CD1 4.26Å; C112-L144 HydrophobicContact CB-CD2 3.46Å; C112-L144 VanDerWaalsContact CB-CD2 3.46Å; H124-L144 HydrophobicContact CB-CD1 4.33Å; H124-L144 VanDerWaalsContact CE1-CB 3.49Å; H124-L144 WeakPolarHBondContact CE1-CB 3.16Å; H124-L144 WeakPolarHBondContact ND1-CB 3.33Å; H124-L144 VanDerWaalsContact ND1-CD1 3.26Å; H124-L144 WeakPolarHBondContact ND1-CD1 3.37Å; I139-L144 HydrophobicContact CG2-CD1 3.38Å; F141-L144 PolarHBondContact O-N 3.45Å; F141-L144 VanDerWaalsContact O-N 3.08Å; L144-M146 PolarHBondContact O-N 3.4Å; L144-F147 PolarHBondContact O-N 3.47Å |
| 145 | A | 40 | Very low | 50.1 | Low | 94 Ų | 94 | 88.7 Ų | 88.7 | 78% | 0.777 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 1.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 146 | M | 40.4 | Very low | 47.8 | Very low | 138 Ų | 138 | 95 Ų | 95 | 68% | 0.68 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 11.3 | 179.4 | -77.5 | -168.9 | -103.6 | 0 | 0 | 114.9 | L144 | L144-M146 PolarHBondContact O-N 3.4Š|
| 147 | F | 36.8 | Very low | 46 | Very low | 149 Ų | 149 | 98.1 Ų | 98.1 | 65% | 0.654 | 58% | 0.583 | S | S | * | * | trans | -117.8 | 78.4 | 172 | -65.8 | -77.2 | 0 | 0 | 0 | 112.3 | L144 | L144-F147 PolarHBondContact O-N 3.47Š| ||
| 148 | A | 35 | Very low | 44.8 | Very low | 92 Ų | 92 | 105.2 Ų | 105.2 | 76% | 0.76 | 62% | 0.617 | S | S | * | * | trans | -151.1 | 137.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 149 | P | 37.6 | Very low | 43.5 | Very low | 123 Ų | 123 | 111.7 Ų | 111.7 | 80% | 0.799 | 64% | 0.639 | S | S | * | * | S | Bend | cis | -132 | 132.5 | 22.3 | 35.5 | -16.3 | 0 | 0 | 0 | 113.7 | ||
| 150 | G | 38.1 | Very low | 42.4 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 68% | 0.675 | S | S | * | * | trans | -160.3 | -7.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 151 | I | 43.9 | Very low | 41.7 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | -116.3 | 77.6 | 167.6 | -60.5 | 178.5 | 0 | 0 | 0 | 107.9 | ||||
| 152 | F | 36.5 | Very low | 41.2 | Very low | 186 Ų | 186 | 126.6 Ų | 126.6 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | -55.4 | 144 | 149 | -93.4 | -100.6 | 0 | 0 | 0 | 108.6 | ||||
| 153 | I | 40.9 | Very low | 41.1 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | trans | 85.7 | 78.7 | 167.3 | -44.3 | 158.9 | 0 | 0 | 0 | 115.5 | ||||
| 154 | L | 41.7 | Very low | 41 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 71% | 0.707 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -168.4 | 28.9 | 130.8 | -101.9 | 166 | 0 | 0 | 0 | 113.1 | A157 | L154-A157 HydrophobicContact CD2-CB 4.13Š|
| 155 | L | 39.4 | Very low | 40.6 | Very low | 168 Ų | 168 | 141 Ų | 141 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -100.3 | 12.9 | 171.4 | -104.7 | 158.7 | 0 | 0 | 0 | 113.4 | ||
| 156 | N | 41.3 | Very low | 40.7 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -138.5 | 24.9 | -178.1 | -81.4 | -47.1 | 0 | 0 | 0 | 115.3 | ||
| 157 | A | 44.5 | Very low | 40.7 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 63% | 0.628 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -107.4 | 6.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L154 | L154-A157 HydrophobicContact CD2-CB 4.13Š|
| 158 | I | 49.1 | Very low | 41 | Very low | 159 Ų | 159 | 144 Ų | 144 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -133.4 | 8.2 | 177.6 | -50.2 | 178.9 | 0 | 0 | 0 | 112.7 | ||
| 159 | F | 41.4 | Very low | 41.4 | Very low | 188 Ų | 188 | 148 Ų | 148 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -135 | 84.5 | 174.1 | -86.5 | -83.7 | 0 | 0 | 0 | 110.9 | ||||
| 160 | L | 40.5 | Very low | 41.8 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | 178.7 | 125.7 | 161.3 | -102.4 | 143.7 | 0 | 0 | 0 | 109.4 | ||||
| 161 | P | 44 | Very low | 42.1 | Very low | 205 Ų | 205 | 157.1 Ų | 157.1 | 100% | 1.331 | 84% | 0.835 | S | S | * | * | -78.6 | 0 | -53 | 27.1 | -10.8 | 0 | 0 | 0 | 113.6 |
Retrieved 161 of 161 residues in 67.7 ms
(Link to these results)