| 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 | L | 53.2 | Low | 63.4 | Low | 193 Ų | 193 | 117.5 Ų | 117.5 | 100% | 1.01 | 58% | 0.58 | S | S | * | * | 0 | 136.1 | 0 | -82.8 | 101 | 0 | 0 | 0 | 108.5 | L5 | L1-L5 HydrophobicContact CD2-CB 4.35Å; L1-L5 HydrophobicContact CD2-CD1 4.29Å | |||
| 2 | P | 56.3 | Low | 64.6 | Low | 82 Ų | 82 | 117.3 Ų | 117.3 | 53% | 0.532 | 58% | 0.582 | S | S | . | * | trans | -55.1 | 140.9 | 178.7 | -14.8 | 23.9 | 0 | 0 | 0 | 111 | S4 L5 | P2-S4 PolarHBondContact O-N 2.98Å; P2-L5 HydrophobicContact CG-CD1 4.04Å; P2-L5 PolarHBondContact O-N 2.97Å | ||
| 3 | E | 61.1 | Low | 65.6 | Low | 139 Ų | 139 | 112.3 Ų | 112.3 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -47 | -29.2 | 176.6 | -83.8 | -90.9 | 124.3 | 0 | 0 | 113.2 | L5 R6 | E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 2.72Å; E3-R6 PolarHBondContact O-N 3.32Å; E3-R6 IonicContact OE1-CZ 3.5Å; E3-R6 IonicContact OE1-NE 3.13Å; E3-R6 IonicContact OE1-NH1 2.72Å; E3-R6 PolarHBondContact OE1-NH1 3.36Å |
| 4 | S | 59.7 | Low | 66.5 | Low | 82 Ų | 82 | 108.5 Ų | 108.5 | 57% | 0.573 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -64.1 | -21.7 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | P2 | P2-S4 PolarHBondContact O-N 2.98Š|
| 5 | L | 56.8 | Low | 66.9 | Low | 81 Ų | 81 | 108.5 Ų | 108.5 | 42% | 0.424 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -85.6 | -12.1 | 178.7 | -84.9 | 130.7 | 0 | 0 | 0 | 113.8 | L1 P2 E3 I7 L8 | L1-L5 HydrophobicContact CD2-CB 4.35Å; L1-L5 HydrophobicContact CD2-CD1 4.29Å; P2-L5 HydrophobicContact CG-CD1 4.04Å; P2-L5 PolarHBondContact O-N 2.97Å; E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 2.72Å; L5-I7 PolarHBondContact O-N 2.75Å; L5-L8 HydrophobicContact CD2-CD1 4.01Å; L5-L8 PolarHBondContact O-N 3.25Å |
| 6 | R | 58.6 | Low | 67.5 | Low | 170 Ų | 170 | 110.4 Ų | 110.4 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -65.3 | -29.3 | 176.4 | -76.2 | 179.9 | 166.4 | 177.9 | -9.6 | 112.4 | E3 L8 R9 | E3-R6 PolarHBondContact O-N 3.32Å; E3-R6 IonicContact OE1-CZ 3.5Å; E3-R6 IonicContact OE1-NE 3.13Å; E3-R6 IonicContact OE1-NH1 2.72Å; E3-R6 PolarHBondContact OE1-NH1 3.36Å; R6-L8 VanDerWaalsContact C-N 3.27Å; R6-L8 PolarHBondContact O-N 3.25Å; R6-R9 VanDerWaalsContact O-CB 3.22Å; R6-R9 WeakPolarHBondContact O-CB 3.33Å; R6-R9 PolarHBondContact O-N 2.99Å |
| 7 | I | 59.5 | Low | 67.5 | Low | 140 Ų | 140 | 106.6 Ų | 106.6 | 72% | 0.718 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -68.5 | -27.9 | -179.2 | -59 | 170.1 | 0 | 0 | 0 | 111.4 | L5 R9 | L5-I7 PolarHBondContact O-N 2.75Å; I7-R9 PolarHBondContact O-N 2.66Å |
| 8 | L | 65.8 | Low | 67.8 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -75.1 | -5.3 | 176.8 | -70 | 167 | 0 | 0 | 0 | 113.4 | L5 R6 R30 | L5-L8 HydrophobicContact CD2-CD1 4.01Å; L5-L8 PolarHBondContact O-N 3.25Å; R6-L8 VanDerWaalsContact C-N 3.27Å; R6-L8 PolarHBondContact O-N 3.25Å; L8-R30 VanDerWaalsContact O-CD 3.24Å; L8-R30 WeakPolarHBondContact O-CD 3.24Å; L8-R30 PolarHBondContact O-NE 3.17Å; L8-R30 PolarHBondContact O-NH1 2.71Å; L8-R30 PolarHBondContact O-NH2 3.48Å |
| 9 | R | 71.5 | Confident | 67.5 | Low | 138 Ų | 138 | 110.3 Ų | 110.3 | 52% | 0.521 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -78.8 | -24.7 | -177.3 | -164.6 | 167 | -173.8 | -166.8 | -5.4 | 112.9 | R6 I7 E29 R30 | R6-R9 VanDerWaalsContact O-CB 3.22Å; R6-R9 WeakPolarHBondContact O-CB 3.33Å; R6-R9 PolarHBondContact O-N 2.99Å; I7-R9 PolarHBondContact O-N 2.66Å; R9-E29 HydrophobicContact CG-CG 3.95Å; R9-E29 IonicContact CZ-OE1 2.75Å; R9-E29 IonicContact NE-OE1 3.61Å; R9-E29 PolarHBondContact NE-OE1 2.84Å; R9-E29 IonicContact NH2-OE1 3.88Å; R9-E29 PolarHBondContact NH2-OE1 3.27Å; R9-E29 IonicContact NH2-OE2 3.92Å; R9-E29 CarbonylContact O-C 3.54Å; R9-E29 WeakPolarHBondContact O-CA 3.22Å; R9-R30 PolarHBondContact O-N 2.84Å |
| 10 | Y | 77.4 | Confident | 67.8 | Low | 114 Ų | 114 | 109.9 Ų | 109.9 | 45% | 0.447 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.3 | 152.6 | -173.1 | -58.7 | -80.8 | 0 | 0 | 0 | 112.7 | I27 R28 E29 | Y10-I27 HydrophobicContact CD1-CG2 3.86Å; Y10-I27 HydrophobicContact CG-CG2 3.96Å; Y10-R28 CarbonylContact C-O 3.51Å; Y10-R28 WeakPolarHBondContact CA-O 3.34Å; Y10-E29 HydrophobicContact CD1-CB 4.22Å; Y10-E29 HydrophobicContact CE1-CB 4.16Å |
| 11 | V | 78 | Confident | 68.2 | Low | 65 Ų | 65 | 106.6 Ų | 106.6 | 39% | 0.394 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132 | 138.1 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 108.7 | V13 R28 R30 | V11-V13 HydrophobicContact CG1-CG2 4.44Å; V11-R28 PolarHBondContact N-O 2.95Å; V11-R28 PolarHBondContact O-N 2.95Å; V11-R30 HydrophobicContact CG2-CG 3.46Å; V11-R30 VanDerWaalsContact CG2-CG 3.46Å |
| 12 | L | 77.6 | Confident | 69.2 | Low | 115 Ų | 115 | 103.9 Ų | 103.9 | 60% | 0.602 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.4 | 171.1 | -161.1 | 93.1 | 0 | 0 | 0 | 108.9 | F25 W26 I27 | L12-F25 HydrophobicContact CD2-CD1 3.67Å; L12-F25 HydrophobicContact CD2-CE1 4.29Å; L12-F25 HydrophobicContact CD2-CG 4.45Å; L12-F25 HydrophobicContact CG-CD1 4.33Å; L12-W26 CarbonylContact C-O 3.6Å; L12-W26 WeakPolarHBondContact CA-O 3.39Å; L12-I27 HydrophobicContact CD1-CG1 4.1Å |
| 13 | V | 77.9 | Confident | 70.2 | Confident | 52 Ų | 52 | 107.8 Ų | 107.8 | 32% | 0.315 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.9 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | V11 L15 F25 W26 R28 | V11-V13 HydrophobicContact CG1-CG2 4.44Å; V13-L15 HydrophobicContact CG1-CG 4.41Å; V13-F25 CarbonylContact O-C 3.51Å; V13-F25 WeakPolarHBondContact O-CA 3.34Å; V13-W26 PolarHBondContact N-O 3.18Å; V13-W26 PolarHBondContact O-N 2.78Å; V13-R28 HydrophobicContact CG2-CB 4.11Å |
| 14 | A | 77.7 | Confident | 70.9 | Confident | 59 Ų | 59 | 106.5 Ų | 106.5 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q24 F25 | A14-Q24 WeakPolarHBondContact CA-O 3.46Å; A14-F25 HydrophobicContact CB-CD1 3.7Å; A14-F25 HydrophobicContact CB-CE1 3.67Å |
| 15 | L | 72.6 | Confident | 71.9 | Confident | 109 Ų | 109 | 108.7 Ų | 108.7 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 130 | 171.8 | -72.4 | 169.2 | 0 | 0 | 0 | 109 | V13 R23 Q24 | V13-L15 HydrophobicContact CG1-CG 4.41Å; L15-R23 WeakPolarHBondContact O-CA 3.47Å; L15-Q24 PolarHBondContact N-O 3.38Å; L15-Q24 PolarHBondContact O-N 2.9Å |
| 16 | K | 75.9 | Confident | 72.7 | Confident | 139 Ų | 139 | 111.8 Ų | 111.8 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.8 | 173.2 | -170.4 | -178.5 | 179.3 | -172.3 | 0 | 107.8 | V18 R23 | K16-V18 PolarHBondContact O-N 3.01Å; K16-R23 HydrophobicContact CB-CG 4.31Å; K16-R23 HydrophobicContact CG-CG 4.2Å |
| 17 | S | 68.5 | Low | 73.5 | Confident | 45 Ų | 45 | 109.8 Ų | 109.8 | 32% | 0.315 | 55% | 0.553 | S | S | . | * | trans | -62.2 | 126.6 | 172.5 | 174 | 0 | 0 | 0 | 0 | 110 | I19 T20 G21 H22 | S17-I19 PolarHBondContact O-N 3.46Å; S17-I19 PolarHBondContact OG-N 3.07Å; S17-T20 WeakPolarHBondContact CB-OG1 3.43Å; S17-T20 PolarHBondContact OG-N 3.12Å; S17-T20 VanDerWaalsContact OG-N 3.12Å; S17-T20 PolarHBondContact OG-OG1 2.78Å; S17-G21 WeakPolarHBondContact O-CA 3.43Å; S17-G21 PolarHBondContact O-N 2.7Å; S17-H22 PolarHBondContact N-O 3.02Å | ||
| 18 | V | 72.4 | Confident | 74.3 | Confident | 149 Ų | 149 | 107.5 Ų | 107.5 | 90% | 0.903 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -28.4 | 175.9 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | K16 | K16-V18 PolarHBondContact O-N 3.01Š|
| 19 | I | 62 | Low | 75 | Confident | 135 Ų | 135 | 106.2 Ų | 106.2 | 69% | 0.692 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -42.8 | -173.4 | -58.1 | 169.3 | 0 | 0 | 0 | 111.5 | S17 | S17-I19 PolarHBondContact O-N 3.46Å; S17-I19 PolarHBondContact OG-N 3.07Å |
| 20 | T | 74.3 | Confident | 75.1 | Confident | 102 Ų | 102 | 106.3 Ų | 106.3 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | -7.3 | -172.4 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | S17 H22 | S17-T20 WeakPolarHBondContact CB-OG1 3.43Å; S17-T20 PolarHBondContact OG-N 3.12Å; S17-T20 VanDerWaalsContact OG-N 3.12Å; S17-T20 PolarHBondContact OG-OG1 2.78Å; T20-H22 PolarHBondContact O-N 3.09Å |
| 21 | G | 75.4 | Confident | 74.8 | Confident | 41 Ų | 41 | 108 Ų | 108 | 42% | 0.423 | 54% | 0.544 | S | S | . | . | trans | 68.5 | -5.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S17 | S17-G21 WeakPolarHBondContact O-CA 3.43Å; S17-G21 PolarHBondContact O-N 2.7Å | ||
| 22 | H | 74.5 | Confident | 74.3 | Confident | 135 Ų | 135 | 107 Ų | 107 | 63% | 0.625 | 54% | 0.543 | S | S | * | . | trans | -67.6 | 131.7 | -177.4 | -137.6 | -38.5 | 0 | 0 | 0 | 110.6 | S17 T20 | S17-H22 PolarHBondContact N-O 3.02Å; T20-H22 PolarHBondContact O-N 3.09Å | ||
| 23 | R | 76 | Confident | 73.7 | Confident | 165 Ų | 165 | 109.8 Ų | 109.8 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 129.7 | 169.7 | -70.7 | -177.8 | 179.7 | -179.3 | -0.3 | 109.6 | L15 K16 | L15-R23 WeakPolarHBondContact O-CA 3.47Å; K16-R23 HydrophobicContact CB-CG 4.31Å; K16-R23 HydrophobicContact CG-CG 4.2Å |
| 24 | Q | 76.4 | Confident | 72.8 | Confident | 112 Ų | 112 | 115.4 Ų | 115.4 | 52% | 0.523 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.6 | 167.7 | -70.2 | -162.7 | -18.6 | 0 | 0 | 109.8 | A14 L15 | A14-Q24 WeakPolarHBondContact CA-O 3.46Å; L15-Q24 PolarHBondContact N-O 3.38Å; L15-Q24 PolarHBondContact O-N 2.9Å |
| 25 | F | 80.2 | Confident | 71.9 | Confident | 128 Ų | 128 | 118.1 Ų | 118.1 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.5 | 179.7 | -61.3 | -87.2 | 0 | 0 | 0 | 109.3 | L12 V13 A14 | L12-F25 HydrophobicContact CD2-CD1 3.67Å; L12-F25 HydrophobicContact CD2-CE1 4.29Å; L12-F25 HydrophobicContact CD2-CG 4.45Å; L12-F25 HydrophobicContact CG-CD1 4.33Å; V13-F25 CarbonylContact O-C 3.51Å; V13-F25 WeakPolarHBondContact O-CA 3.34Å; A14-F25 HydrophobicContact CB-CD1 3.7Å; A14-F25 HydrophobicContact CB-CE1 3.67Å |
| 26 | W | 73.4 | Confident | 71.1 | Confident | 145 Ų | 145 | 120.2 Ų | 120.2 | 55% | 0.549 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.3 | 179.4 | -61 | 87.2 | 0 | 0 | 0 | 109.3 | L12 V13 | L12-W26 CarbonylContact C-O 3.6Å; L12-W26 WeakPolarHBondContact CA-O 3.39Å; V13-W26 PolarHBondContact N-O 3.18Å; V13-W26 PolarHBondContact O-N 2.78Å |
| 27 | I | 77 | Confident | 69.9 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 66% | 0.656 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.8 | 171.5 | -60.8 | 174.4 | 0 | 0 | 0 | 106.8 | Y10 L12 | Y10-I27 HydrophobicContact CD1-CG2 3.86Å; Y10-I27 HydrophobicContact CG-CG2 3.96Å; L12-I27 HydrophobicContact CD1-CG1 4.1Å |
| 28 | R | 75.9 | Confident | 69.1 | Low | 92 Ų | 92 | 124.9 Ų | 124.9 | 35% | 0.347 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.2 | -180 | -177.7 | 179.6 | 168.6 | 175.5 | -0.7 | 110.5 | Y10 V11 V13 A32 E33 K34 | Y10-R28 CarbonylContact C-O 3.51Å; Y10-R28 WeakPolarHBondContact CA-O 3.34Å; V11-R28 PolarHBondContact N-O 2.95Å; V11-R28 PolarHBondContact O-N 2.95Å; V13-R28 HydrophobicContact CG2-CB 4.11Å; R28-A32 HydrophobicContact CG-CB 4.24Å; R28-A32 PolarHBondContact NH2-O 2.91Å; R28-E33 VanDerWaalsContact NH2-C 3.26Å; R28-E33 PolarHBondContact NH2-O 3.36Å; R28-K34 VanDerWaalsContact NH2-CA 3.31Å |
| 29 | E | 79.7 | Confident | 68.3 | Low | 63 Ų | 63 | 124.7 Ų | 124.7 | 29% | 0.294 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.6 | 133.7 | 171.8 | -175.8 | 166.9 | -176.9 | 0 | 0 | 110.8 | R9 Y10 N31 A32 | R9-E29 HydrophobicContact CG-CG 3.95Å; R9-E29 IonicContact CZ-OE1 2.75Å; R9-E29 IonicContact NE-OE1 3.61Å; R9-E29 PolarHBondContact NE-OE1 2.84Å; R9-E29 IonicContact NH2-OE1 3.88Å; R9-E29 PolarHBondContact NH2-OE1 3.27Å; R9-E29 IonicContact NH2-OE2 3.92Å; R9-E29 CarbonylContact O-C 3.54Å; R9-E29 WeakPolarHBondContact O-CA 3.22Å; Y10-E29 HydrophobicContact CD1-CB 4.22Å; Y10-E29 HydrophobicContact CE1-CB 4.16Å; E29-N31 PolarHBondContact O-N 2.88Å; E29-N31 VanDerWaalsContact O-N 3.12Å; E29-A32 HydrophobicContact CB-CB 4.43Å; E29-A32 WeakPolarHBondContact O-CB 3.16Å; E29-A32 PolarHBondContact O-N 2.9Å; E29-A32 VanDerWaalsContact O-N 3.07Å |
| 30 | R | 73.9 | Confident | 68.1 | Low | 139 Ų | 139 | 124.6 Ų | 124.6 | 53% | 0.525 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.9 | -32.6 | -174.8 | -77.6 | -170.5 | -167.6 | 162.9 | 7.2 | 113.8 | L8 R9 V11 | L8-R30 VanDerWaalsContact O-CD 3.24Å; L8-R30 WeakPolarHBondContact O-CD 3.24Å; L8-R30 PolarHBondContact O-NE 3.17Å; L8-R30 PolarHBondContact O-NH1 2.71Å; L8-R30 PolarHBondContact O-NH2 3.48Å; R9-R30 PolarHBondContact O-N 2.84Å; V11-R30 HydrophobicContact CG2-CG 3.46Å; V11-R30 VanDerWaalsContact CG2-CG 3.46Å |
| 31 | N | 71.3 | Confident | 67.6 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 80% | 0.797 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 4.8 | -176.3 | -68.7 | -6.4 | 0 | 0 | 0 | 113.6 | E29 E33 | E29-N31 PolarHBondContact O-N 2.88Å; E29-N31 VanDerWaalsContact O-N 3.12Å; N31-E33 PolarHBondContact O-N 2.94Å |
| 32 | A | 67.8 | Low | 67.4 | Low | 45 Ų | 45 | 126.6 Ų | 126.6 | 37% | 0.372 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -66.3 | 134.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | R28 E29 | R28-A32 HydrophobicContact CG-CB 4.24Å; R28-A32 PolarHBondContact NH2-O 2.91Å; E29-A32 HydrophobicContact CB-CB 4.43Å; E29-A32 WeakPolarHBondContact O-CB 3.16Å; E29-A32 PolarHBondContact O-N 2.9Å; E29-A32 VanDerWaalsContact O-N 3.07Å |
| 33 | E | 64.9 | Low | 67.5 | Low | 174 Ų | 174 | 126.5 Ų | 126.5 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | trans | -59.3 | 135.6 | 177.5 | -164.3 | 171.1 | -173.6 | 0 | 0 | 110.9 | R28 N31 V35 | R28-E33 VanDerWaalsContact NH2-C 3.26Å; R28-E33 PolarHBondContact NH2-O 3.36Å; N31-E33 PolarHBondContact O-N 2.94Å; E33-V35 PolarHBondContact O-N 3.38Å | ||
| 34 | K | 59.5 | Low | 67.7 | Low | 170 Ų | 170 | 121.3 Ų | 121.3 | 74% | 0.739 | 60% | 0.596 | S | S | * | * | trans | -74.3 | 93.2 | 176.5 | -72.8 | -179.5 | -179.6 | 178.5 | 0 | 108.5 | R28 E36 | R28-K34 VanDerWaalsContact NH2-CA 3.31Å; K34-E36 PolarHBondContact O-N 3.12Å; K34-E36 VanDerWaalsContact O-N 3.09Å | ||
| 35 | V | 57.9 | Low | 67.9 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 70% | 0.703 | 59% | 0.592 | S | S | * | * | trans | -72.4 | 98.5 | 163.2 | -175.1 | 0 | 0 | 0 | 0 | 107 | E33 V37 | E33-V35 PolarHBondContact O-N 3.38Å; V35-V37 VanDerWaalsContact C-N 3.26Å; V35-V37 HydrophobicContact CG1-CG2 4.11Å; V35-V37 PolarHBondContact O-N 2.91Å | ||
| 36 | E | 55.3 | Low | 68.2 | Low | 152 Ų | 152 | 117.8 Ų | 117.8 | 71% | 0.71 | 59% | 0.589 | S | S | * | * | trans | -68.2 | 91.8 | 165.9 | -71.8 | -167.6 | 167 | 0 | 0 | 107.7 | K34 F38 | K34-E36 PolarHBondContact O-N 3.12Å; K34-E36 VanDerWaalsContact O-N 3.09Å; E36-F38 VanDerWaalsContact C-N 3.28Å; E36-F38 PolarHBondContact O-N 2.86Å | ||
| 37 | V | 51.7 | Low | 68.9 | Low | 106 Ų | 106 | 114.5 Ų | 114.5 | 64% | 0.642 | 59% | 0.585 | S | S | * | * | trans | -67.8 | 99.3 | 164.4 | -172.4 | 0 | 0 | 0 | 0 | 105.2 | V35 L39 | V35-V37 VanDerWaalsContact C-N 3.26Å; V35-V37 HydrophobicContact CG1-CG2 4.11Å; V35-V37 PolarHBondContact O-N 2.91Å; V37-L39 HydrophobicContact CG1-CG 4.27Å; V37-L39 PolarHBondContact O-N 3.05Å | ||
| 38 | F | 51.4 | Low | 69.4 | Low | 177 Ų | 177 | 113.2 Ų | 113.2 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | trans | -60.6 | 77.6 | 164.2 | -107.9 | -96.3 | 0 | 0 | 0 | 107.2 | E36 L40 | E36-F38 VanDerWaalsContact C-N 3.28Å; E36-F38 PolarHBondContact O-N 2.86Å; F38-L40 PolarHBondContact O-N 2.99Å | ||
| 39 | L | 55.7 | Low | 70.2 | Confident | 145 Ų | 145 | 114.7 Ų | 114.7 | 76% | 0.759 | 59% | 0.592 | S | S | * | * | trans | -59.7 | 97.5 | 159.1 | -75.7 | 168.4 | 0 | 0 | 0 | 104 | V37 D41 | V37-L39 HydrophobicContact CG1-CG 4.27Å; V37-L39 PolarHBondContact O-N 3.05Å; L39-D41 PolarHBondContact O-N 3.45Å | ||
| 40 | L | 57.5 | Low | 70.8 | Confident | 132 Ų | 132 | 116.9 Ų | 116.9 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | trans | -43.8 | 114.8 | 172.2 | -94.2 | 117.4 | 0 | 0 | 0 | 107.3 | F38 V45 | F38-L40 PolarHBondContact O-N 2.99Å; L40-V45 HydrophobicContact CB-CG2 4.16Å; L40-V45 HydrophobicContact CD2-CG2 4.04Å | ||
| 41 | D | 63.2 | Low | 71.7 | Confident | 113 Ų | 113 | 114.1 Ų | 114.1 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | trans | -50.4 | 137.1 | 178.8 | -96.5 | -41.2 | 0 | 0 | 0 | 108.4 | L39 Q43 P44 | L39-D41 PolarHBondContact O-N 3.45Å; D41-Q43 PolarHBondContact O-N 3.14Å; D41-P44 HydrophobicContact CB-CG 4Å; D41-P44 WeakPolarHBondContact O-CD 3.4Å; D41-P44 WeakPolarHBondContact O-CG 3.4Å | ||
| 42 | P | 71.5 | Confident | 72.7 | Confident | 72 Ų | 72 | 110.4 Ų | 110.4 | 47% | 0.468 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.4 | -18.9 | -179.6 | 23.8 | -33 | 0 | 0 | 0 | 112.4 | L46 | P42-L46 WeakPolarHBondContact O-CB 3.07Å; P42-L46 PolarHBondContact O-N 3.05Å; P42-L46 VanDerWaalsContact O-N 3.14Å |
| 43 | Q | 76.7 | Confident | 73.9 | Confident | 133 Ų | 133 | 110.1 Ų | 110.1 | 62% | 0.621 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.5 | -57.3 | -179.1 | -61.1 | -64.9 | -36.8 | 0 | 0 | 113.2 | D41 V45 L46 T47 | D41-Q43 PolarHBondContact O-N 3.14Å; Q43-V45 VanDerWaalsContact C-N 3.3Å; Q43-V45 PolarHBondContact O-N 3.05Å; Q43-L46 PolarHBondContact O-N 2.77Å; Q43-T47 WeakPolarHBondContact O-CG2 3.42Å; Q43-T47 PolarHBondContact O-N 2.94Å |
| 44 | P | 80 | Confident | 75.3 | Confident | 57 Ų | 57 | 107.1 Ų | 107.1 | 37% | 0.37 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.9 | -38.3 | 177.2 | 21.7 | -34.5 | 0 | 0 | 0 | 112.6 | D41 L46 T47 I48 | D41-P44 HydrophobicContact CB-CG 4Å; D41-P44 WeakPolarHBondContact O-CD 3.4Å; D41-P44 WeakPolarHBondContact O-CG 3.4Å; P44-L46 PolarHBondContact O-N 3.41Å; P44-T47 WeakPolarHBondContact CA-OG1 3.21Å; P44-T47 PolarHBondContact O-N 2.76Å; P44-T47 PolarHBondContact O-OG1 3.44Å; P44-I48 VanDerWaalsContact O-CG1 3.28Å; P44-I48 WeakPolarHBondContact O-CG1 3.23Å; P44-I48 PolarHBondContact O-N 3.06Å |
| 45 | V | 81.8 | Confident | 76.9 | Confident | 71 Ų | 71 | 102.9 Ų | 102.9 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.6 | -44.7 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | L40 Q43 I48 L49 | L40-V45 HydrophobicContact CB-CG2 4.16Å; L40-V45 HydrophobicContact CD2-CG2 4.04Å; Q43-V45 VanDerWaalsContact C-N 3.3Å; Q43-V45 PolarHBondContact O-N 3.05Å; V45-I48 PolarHBondContact O-N 3.26Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 PolarHBondContact O-N 2.7Å |
| 46 | L | 86.6 | Confident | 78.6 | Confident | 94 Ų | 94 | 101.4 Ų | 101.4 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -41.6 | 176.6 | -176.2 | 63.6 | 0 | 0 | 0 | 111.8 | P42 Q43 P44 L49 L50 | P42-L46 WeakPolarHBondContact O-CB 3.07Å; P42-L46 PolarHBondContact O-N 3.05Å; P42-L46 VanDerWaalsContact O-N 3.14Å; Q43-L46 PolarHBondContact O-N 2.77Å; P44-L46 PolarHBondContact O-N 3.41Å; L46-L49 PolarHBondContact O-N 2.9Å; L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.33Å; L46-L50 HydrophobicContact CG-CD1 4.03Å; L46-L50 HydrophobicContact CG-CG 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.42Å; L46-L50 VanDerWaalsContact O-CG 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 2.93Å |
| 47 | T | 87.1 | Confident | 80.3 | Confident | 77 Ų | 77 | 100.2 Ų | 100.2 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 177.9 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | Q43 P44 T51 | Q43-T47 WeakPolarHBondContact O-CG2 3.42Å; Q43-T47 PolarHBondContact O-N 2.94Å; P44-T47 WeakPolarHBondContact CA-OG1 3.21Å; P44-T47 PolarHBondContact O-N 2.76Å; P44-T47 PolarHBondContact O-OG1 3.44Å; T47-T51 WeakPolarHBondContact O-CB 3.24Å; T47-T51 VanDerWaalsContact O-CG2 3.24Å; T47-T51 WeakPolarHBondContact O-CG2 3.37Å; T47-T51 PolarHBondContact O-N 3.24Å; T47-T51 PolarHBondContact O-OG1 2.86Å |
| 48 | I | 88.8 | Confident | 82.1 | Confident | 101 Ų | 101 | 98.2 Ų | 98.2 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 176.6 | -67.2 | 165 | 0 | 0 | 0 | 110.3 | P44 V45 T51 T52 | P44-I48 VanDerWaalsContact O-CG1 3.28Å; P44-I48 WeakPolarHBondContact O-CG1 3.23Å; P44-I48 PolarHBondContact O-N 3.06Å; V45-I48 PolarHBondContact O-N 3.26Å; I48-T51 WeakPolarHBondContact CA-OG1 3.43Å; I48-T51 PolarHBondContact O-OG1 3.3Å; I48-T51 VanDerWaalsContact O-OG1 3.05Å; I48-T52 VanDerWaalsContact O-CB 3.23Å; I48-T52 WeakPolarHBondContact O-CB 3.24Å; I48-T52 PolarHBondContact O-N 3.34Å; I48-T52 PolarHBondContact O-OG1 3.49Å |
| 49 | L | 91.4 | Very high | 83.8 | Confident | 122 Ų | 122 | 94 Ų | 94 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.9 | -41.8 | 179.8 | -164 | 128.5 | 0 | 0 | 0 | 112 | V45 L46 G53 | V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 PolarHBondContact O-N 2.7Å; L46-L49 PolarHBondContact O-N 2.9Å; L49-G53 PolarHBondContact O-N 3.49Å |
| 50 | L | 93.1 | Very high | 85.2 | Confident | 110 Ų | 110 | 95.8 Ų | 95.8 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -45.2 | 175.8 | -73.2 | 173.3 | 0 | 0 | 0 | 112.2 | L46 G53 L54 | L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.33Å; L46-L50 HydrophobicContact CG-CD1 4.03Å; L46-L50 HydrophobicContact CG-CG 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.42Å; L46-L50 VanDerWaalsContact O-CG 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 2.93Å; L50-G53 PolarHBondContact O-N 2.89Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.39Å |
| 51 | T | 92.4 | Very high | 86.3 | Confident | 81 Ų | 81 | 97.3 Ų | 97.3 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 178.6 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | T47 I48 G53 L54 V55 | T47-T51 WeakPolarHBondContact O-CB 3.24Å; T47-T51 VanDerWaalsContact O-CG2 3.24Å; T47-T51 WeakPolarHBondContact O-CG2 3.37Å; T47-T51 PolarHBondContact O-N 3.24Å; T47-T51 PolarHBondContact O-OG1 2.86Å; I48-T51 WeakPolarHBondContact CA-OG1 3.43Å; I48-T51 PolarHBondContact O-OG1 3.3Å; I48-T51 VanDerWaalsContact O-OG1 3.05Å; T51-G53 PolarHBondContact O-N 3.35Å; T51-L54 PolarHBondContact O-N 3.03Å; T51-V55 WeakPolarHBondContact O-CB 3.45Å; T51-V55 VanDerWaalsContact O-CG2 3.24Å; T51-V55 WeakPolarHBondContact O-CG2 3.33Å; T51-V55 PolarHBondContact O-N 2.94Å |
| 52 | T | 93 | Very high | 86.9 | Confident | 71 Ų | 71 | 98.3 Ų | 98.3 | 44% | 0.436 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.9 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | I48 V55 L56 | I48-T52 VanDerWaalsContact O-CB 3.23Å; I48-T52 WeakPolarHBondContact O-CB 3.24Å; I48-T52 PolarHBondContact O-N 3.34Å; I48-T52 PolarHBondContact O-OG1 3.49Å; T52-V55 PolarHBondContact O-N 2.91Å; T52-L56 HydrophobicContact CG2-CD1 4.14Å; T52-L56 HydrophobicContact CG2-CG 4.49Å; T52-L56 WeakPolarHBondContact O-CB 3.41Å; T52-L56 WeakPolarHBondContact O-CG 3.47Å; T52-L56 PolarHBondContact O-N 2.92Å |
| 53 | G | 93.3 | Very high | 86.6 | Confident | 38 Ų | 38 | 99 Ų | 99 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L49 L50 T51 L56 Y57 | L49-G53 PolarHBondContact O-N 3.49Å; L50-G53 PolarHBondContact O-N 2.89Å; T51-G53 PolarHBondContact O-N 3.35Å; G53-L56 PolarHBondContact O-N 3.45Å; G53-Y57 VanDerWaalsContact O-CB 3.31Å; G53-Y57 WeakPolarHBondContact O-CB 3.18Å; G53-Y57 PolarHBondContact O-N 3.44Å |
| 54 | L | 93.9 | Very high | 85.8 | Confident | 111 Ų | 111 | 97 Ų | 97 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -45.2 | 176 | -176.8 | 65.6 | 0 | 0 | 0 | 111.6 | L50 T51 Y57 V58 | L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.39Å; T51-L54 PolarHBondContact O-N 3.03Å; L54-Y57 PolarHBondContact O-N 3.41Å; L54-V58 HydrophobicContact CD1-CG2 4.4Å; L54-V58 WeakPolarHBondContact O-CB 3.37Å; L54-V58 VanDerWaalsContact O-CG2 3.28Å; L54-V58 WeakPolarHBondContact O-CG2 3.34Å; L54-V58 PolarHBondContact O-N 3.41Å |
| 55 | V | 93.3 | Very high | 84.9 | Confident | 82 Ų | 82 | 99.6 Ų | 99.6 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | T51 T52 Y57 V58 I59 | T51-V55 WeakPolarHBondContact O-CB 3.45Å; T51-V55 VanDerWaalsContact O-CG2 3.24Å; T51-V55 WeakPolarHBondContact O-CG2 3.33Å; T51-V55 PolarHBondContact O-N 2.94Å; T52-V55 PolarHBondContact O-N 2.91Å; V55-Y57 VanDerWaalsContact C-N 3.34Å; V55-Y57 PolarHBondContact O-N 2.89Å; V55-V58 PolarHBondContact O-N 2.84Å; V55-I59 HydrophobicContact CG1-CD1 3.64Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 WeakPolarHBondContact O-CB 3.27Å; V55-I59 VanDerWaalsContact O-CG1 3.24Å; V55-I59 WeakPolarHBondContact O-CG1 3.26Å; V55-I59 PolarHBondContact O-N 3.32Å |
| 56 | L | 92 | Very high | 84.2 | Confident | 85 Ų | 85 | 105.3 Ų | 105.3 | 45% | 0.445 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.4 | -38 | 176.1 | -73.7 | 173.1 | 0 | 0 | 0 | 112.4 | T52 G53 R60 | T52-L56 HydrophobicContact CG2-CD1 4.14Å; T52-L56 HydrophobicContact CG2-CG 4.49Å; T52-L56 WeakPolarHBondContact O-CB 3.41Å; T52-L56 WeakPolarHBondContact O-CG 3.47Å; T52-L56 PolarHBondContact O-N 2.92Å; G53-L56 PolarHBondContact O-N 3.45Å; L56-R60 VanDerWaalsContact O-CB 3.26Å; L56-R60 WeakPolarHBondContact O-CB 3.36Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.28Å; L56-R60 PolarHBondContact O-N 3.25Å |
| 57 | Y | 91.1 | Very high | 83.9 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 50% | 0.498 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 175.4 | 174.6 | -101.8 | 0 | 0 | 0 | 111.6 | G53 L54 V55 R60 R61 | G53-Y57 VanDerWaalsContact O-CB 3.31Å; G53-Y57 WeakPolarHBondContact O-CB 3.18Å; G53-Y57 PolarHBondContact O-N 3.44Å; L54-Y57 PolarHBondContact O-N 3.41Å; V55-Y57 VanDerWaalsContact C-N 3.34Å; V55-Y57 PolarHBondContact O-N 2.89Å; Y57-R60 PolarHBondContact O-N 2.9Å; Y57-R61 HydrophobicContact CD1-CG 4.43Å; Y57-R61 HydrophobicContact CD2-CG 4.43Å; Y57-R61 HydrophobicContact CE1-CG 4.03Å; Y57-R61 HydrophobicContact CE2-CG 4.02Å; Y57-R61 WeakPolarHBondContact O-CB 3.24Å; Y57-R61 WeakPolarHBondContact O-CG 3.44Å; Y57-R61 PolarHBondContact O-N 2.76Å; Y57-R61 PolarHBondContact OH-NE 3.44Å; Y57-R61 PolarHBondContact OH-NH2 3.2Å; Y57-R61 VanDerWaalsContact OH-NH2 3.09Å |
| 58 | V | 90.6 | Very high | 83.9 | Confident | 64 Ų | 64 | 103.8 Ų | 103.8 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | L54 V55 R60 R61 L62 | L54-V58 HydrophobicContact CD1-CG2 4.4Å; L54-V58 WeakPolarHBondContact O-CB 3.37Å; L54-V58 VanDerWaalsContact O-CG2 3.28Å; L54-V58 WeakPolarHBondContact O-CG2 3.34Å; L54-V58 PolarHBondContact O-N 3.41Å; V55-V58 PolarHBondContact O-N 2.84Å; V58-R60 PolarHBondContact O-N 3.22Å; V58-R61 PolarHBondContact O-N 2.89Å; V58-L62 HydrophobicContact CG1-CD1 3.58Å; V58-L62 HydrophobicContact CG1-CG 4.28Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 VanDerWaalsContact O-CG 3.22Å; V58-L62 WeakPolarHBondContact O-CG 3.31Å; V58-L62 PolarHBondContact O-N 3.26Å |
| 59 | I | 87.7 | Confident | 84 | Confident | 88 Ų | 88 | 100.6 Ų | 100.6 | 45% | 0.451 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 175.8 | -67.9 | 168.2 | 0 | 0 | 0 | 109.9 | V55 R61 L62 S63 | V55-I59 HydrophobicContact CG1-CD1 3.64Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 WeakPolarHBondContact O-CB 3.27Å; V55-I59 VanDerWaalsContact O-CG1 3.24Å; V55-I59 WeakPolarHBondContact O-CG1 3.26Å; V55-I59 PolarHBondContact O-N 3.32Å; I59-R61 PolarHBondContact O-N 2.86Å; I59-L62 CarbonylContact O-C 3.58Å; I59-L62 PolarHBondContact O-N 2.88Å; I59-S63 WeakPolarHBondContact O-CB 3.22Å; I59-S63 PolarHBondContact O-N 3.44Å |
| 60 | R | 85.1 | Confident | 84.2 | Confident | 183 Ų | 183 | 94.8 Ų | 94.8 | 69% | 0.691 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62 | -39.4 | 178.2 | -80.1 | -176.5 | 146.9 | 113.5 | 0.2 | 113.2 | L56 Y57 V58 L62 | L56-R60 VanDerWaalsContact O-CB 3.26Å; L56-R60 WeakPolarHBondContact O-CB 3.36Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.28Å; L56-R60 PolarHBondContact O-N 3.25Å; Y57-R60 PolarHBondContact O-N 2.9Å; V58-R60 PolarHBondContact O-N 3.22Å; R60-L62 VanDerWaalsContact C-N 3.35Å |
| 61 | R | 79.9 | Confident | 84.3 | Confident | 164 Ų | 164 | 89.7 Ų | 89.7 | 62% | 0.619 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.3 | -36.9 | 175.6 | -82.4 | -71.8 | -159.2 | 171.8 | 4.2 | 112.2 | Y57 V58 I59 | Y57-R61 HydrophobicContact CD1-CG 4.43Å; Y57-R61 HydrophobicContact CD2-CG 4.43Å; Y57-R61 HydrophobicContact CE1-CG 4.03Å; Y57-R61 HydrophobicContact CE2-CG 4.02Å; Y57-R61 WeakPolarHBondContact O-CB 3.24Å; Y57-R61 WeakPolarHBondContact O-CG 3.44Å; Y57-R61 PolarHBondContact O-N 2.76Å; Y57-R61 PolarHBondContact OH-NE 3.44Å; Y57-R61 PolarHBondContact OH-NH2 3.2Å; Y57-R61 VanDerWaalsContact OH-NH2 3.09Å; V58-R61 PolarHBondContact O-N 2.89Å; I59-R61 PolarHBondContact O-N 2.86Å |
| 62 | L | 74.7 | Confident | 84.4 | Confident | 134 Ų | 134 | 85.9 Ų | 85.9 | 70% | 0.702 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -80.4 | -28.1 | 178.5 | -68.1 | 170.4 | 0 | 0 | 0 | 112.7 | V58 I59 R60 T64 | V58-L62 HydrophobicContact CG1-CD1 3.58Å; V58-L62 HydrophobicContact CG1-CG 4.28Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 VanDerWaalsContact O-CG 3.22Å; V58-L62 WeakPolarHBondContact O-CG 3.31Å; V58-L62 PolarHBondContact O-N 3.26Å; I59-L62 CarbonylContact O-C 3.58Å; I59-L62 PolarHBondContact O-N 2.88Å; R60-L62 VanDerWaalsContact C-N 3.35Å; L62-T64 VanDerWaalsContact C-N 3.34Å |
| 63 | S | 65.2 | Low | 84.4 | Confident | 87 Ų | 87 | 82.6 Ų | 82.6 | 61% | 0.608 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 9.6 | -179.6 | -90 | 0 | 0 | 0 | 0 | 114.3 | I59 P65 | I59-S63 WeakPolarHBondContact O-CB 3.22Å; I59-S63 PolarHBondContact O-N 3.44Å; S63-P65 WeakPolarHBondContact O-CD 3.5Å |
| 64 | T | 61.5 | Low | 84.4 | Confident | 89 Ų | 89 | 80.8 Ų | 80.8 | 55% | 0.546 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -58.4 | 121.3 | 168.6 | 50.7 | 0 | 0 | 0 | 0 | 107.7 | L62 K66 | L62-T64 VanDerWaalsContact C-N 3.34Å; T64-K66 PolarHBondContact O-N 2.93Å |
| 65 | P | 60.5 | Low | 84.4 | Confident | 113 Ų | 113 | 75.6 Ų | 75.6 | 73% | 0.734 | 37% | 0.374 | S | S | * | . | trans | -59.9 | 114.9 | -178.9 | 23.3 | -31.4 | 0 | 0 | 0 | 106.6 | S63 E67 | S63-P65 WeakPolarHBondContact O-CD 3.5Å; P65-E67 PolarHBondContact O-N 2.91Å | ||
| 66 | K | 68.1 | Low | 84.2 | Confident | 190 Ų | 190 | 73.9 Ų | 73.9 | 83% | 0.826 | 37% | 0.366 | S | S | * | . | trans | -63.6 | 107.3 | 177.8 | -71 | -176.5 | 180 | 178.7 | 0 | 106.9 | T64 K68 | T64-K66 PolarHBondContact O-N 2.93Å; K66-K68 PolarHBondContact O-N 3.16Å | ||
| 67 | E | 78.7 | Confident | 84.1 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 36% | 0.355 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 121.1 | 172.6 | -174.4 | 178.7 | -154.2 | 0 | 0 | 107.9 | P65 V105 R114 | P65-E67 PolarHBondContact O-N 2.91Å; E67-V105 VanDerWaalsContact OE1-CG2 3.26Å; E67-V105 WeakPolarHBondContact OE1-CG2 3.27Å; E67-R114 VanDerWaalsContact CD-NE 3.25Å; E67-R114 VanDerWaalsContact CD-NH2 3.34Å; E67-R114 HydrophobicContact CG-CB 3.97Å; E67-R114 WeakPolarHBondContact OE1-CB 3.31Å; E67-R114 IonicContact OE1-CZ 3.73Å; E67-R114 IonicContact OE1-NE 3.36Å; E67-R114 PolarHBondContact OE1-NE 2.86Å; E67-R114 VanDerWaalsContact OE1-NE 3.13Å; E67-R114 IonicContact OE1-NH2 3.64Å; E67-R114 PolarHBondContact OE1-NH2 3.5Å; E67-R114 IonicContact OE2-CZ 2.81Å; E67-R114 IonicContact OE2-NE 3Å; E67-R114 PolarHBondContact OE2-NE 2.85Å; E67-R114 IonicContact OE2-NH2 3.04Å; E67-R114 PolarHBondContact OE2-NH2 3.17Å |
| 68 | K | 88.4 | Confident | 84.2 | Confident | 64 Ų | 64 | 68 Ų | 68 | 28% | 0.278 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.4 | 179.7 | -62.6 | -172.6 | -172.1 | -174.7 | 0 | 108.3 | K66 F112 V113 R114 S138 V278 | K66-K68 PolarHBondContact O-N 3.16Å; K68-F112 PolarHBondContact N-O 3.09Å; K68-V113 HydrophobicContact CB-CG2 4.4Å; K68-V113 CarbonylContact O-C 3.55Å; K68-V113 WeakPolarHBondContact O-CA 3.48Å; K68-R114 PolarHBondContact O-N 3.02Å; K68-S138 WeakPolarHBondContact CA-OG 3.24Å; K68-S138 WeakPolarHBondContact CB-OG 3.35Å; K68-V278 HydrophobicContact CD-CG1 4.47Å; K68-V278 WeakPolarHBondContact CD-OXT 2.89Å; K68-V278 WeakPolarHBondContact CE-OXT 3.49Å; K68-V278 PolarHBondContact NZ-O 3.44Å; K68-V278 PolarHBondContact NZ-OXT 2.92Å |
| 69 | I | 91.2 | Very high | 84.3 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.2 | 178.6 | -57.2 | 175.3 | 0 | 0 | 0 | 108.1 | L71 R114 V116 V137 S138 G139 | I69-L71 HydrophobicContact CG2-CD2 4.11Å; I69-R114 WeakPolarHBondContact CA-O 3.18Å; I69-R114 HydrophobicContact CG1-CB 4.4Å; I69-V116 HydrophobicContact CG2-CG2 4.11Å; I69-V137 HydrophobicContact CG2-CG2 4.21Å; I69-V137 WeakPolarHBondContact O-CG1 3.38Å; I69-S138 PolarHBondContact O-N 3.08Å; I69-G139 PolarHBondContact O-N 2.91Å |
| 70 | V | 94.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.3 | 174.4 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | V113 R114 L115 V116 G139 I141 W274 L275 V278 | V70-V113 HydrophobicContact CB-CG1 4.02Å; V70-V113 HydrophobicContact CG2-CG1 3.59Å; V70-R114 PolarHBondContact N-O 3Å; V70-L115 HydrophobicContact CB-CD1 4.23Å; V70-L115 HydrophobicContact CG1-CD1 4.01Å; V70-L115 WeakPolarHBondContact O-CA 3.46Å; V70-V116 PolarHBondContact O-N 3Å; V70-G139 VanDerWaalsContact CA-O 3.24Å; V70-G139 WeakPolarHBondContact CA-O 3.26Å; V70-I141 HydrophobicContact CG1-CD1 3.96Å; V70-I141 HydrophobicContact CG1-CG1 3.89Å; V70-W274 HydrophobicContact CG1-CZ3 4.22Å; V70-L275 HydrophobicContact CB-CD2 4.08Å; V70-L275 HydrophobicContact CG1-CD2 3.81Å; V70-L275 HydrophobicContact CG2-CD2 3.98Å; V70-V278 HydrophobicContact CG2-CG1 4.11Å |
| 71 | L | 94.7 | Very high | 84.9 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.5 | 177.8 | -52.4 | -174 | 0 | 0 | 0 | 110.3 | I69 V116 K132 L133 V137 G139 V140 I141 | I69-L71 HydrophobicContact CG2-CD2 4.11Å; L71-V116 HydrophobicContact CD2-CB 3.86Å; L71-V116 HydrophobicContact CD2-CG1 4.32Å; L71-V116 HydrophobicContact CD2-CG2 4.21Å; L71-K132 HydrophobicContact CD1-CB 3.84Å; L71-K132 HydrophobicContact CD2-CB 3.72Å; L71-K132 HydrophobicContact CD2-CG 4.26Å; L71-K132 HydrophobicContact CG-CB 4.44Å; L71-L133 HydrophobicContact CD1-CD2 3.71Å; L71-L133 HydrophobicContact CD1-CG 3.96Å; L71-V137 HydrophobicContact CD1-CG1 4.39Å; L71-V137 HydrophobicContact CD1-CG2 3.96Å; L71-V137 HydrophobicContact CD2-CG2 4.08Å; L71-V137 HydrophobicContact CG-CG1 3.93Å; L71-V137 HydrophobicContact CG-CG2 3.89Å; L71-G139 PolarHBondContact N-O 3.33Å; L71-V140 HydrophobicContact CB-CG2 4.39Å; L71-V140 CarbonylContact O-C 3.6Å; L71-V140 WeakPolarHBondContact O-CA 3.34Å; L71-I141 PolarHBondContact O-N 2.84Å |
| 72 | L | 94.5 | Very high | 85.5 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 106.3 | 170.7 | -171.1 | 67.8 | 0 | 0 | 0 | 108.4 | K80 A83 F84 L115 V116 I118 I141 M143 | L72-K80 HydrophobicContact CD2-CB 4.06Å; L72-K80 WeakPolarHBondContact CD2-O 3.3Å; L72-K80 HydrophobicContact CG-CB 4.13Å; L72-K80 HydrophobicContact CG-CG 4.47Å; L72-A83 HydrophobicContact CD2-CB 4.39Å; L72-F84 HydrophobicContact CD2-CB 3.92Å; L72-L115 HydrophobicContact CB-CD1 4.24Å; L72-V116 PolarHBondContact N-O 2.78Å; L72-I118 WeakPolarHBondContact O-CB 3.41Å; L72-I118 WeakPolarHBondContact O-CG1 3.48Å; L72-I118 PolarHBondContact O-N 3.09Å; L72-I141 WeakPolarHBondContact CA-O 3.33Å; L72-I141 HydrophobicContact CD1-CB 3.63Å; L72-I141 HydrophobicContact CD1-CD1 4.47Å; L72-I141 HydrophobicContact CD1-CG2 3.49Å; L72-I141 VanDerWaalsContact CD1-CG2 3.49Å; L72-M143 HydrophobicContact CD1-CG 3.62Å; L72-M143 HydrophobicContact CD1-SD 3.62Å; L72-M143 HydrophobicContact CD2-SD 4.19Å; L72-M143 HydrophobicContact CG-CG 4.38Å; L72-M143 HydrophobicContact CG-SD 4.1Å |
| 73 | C | 93.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 170.8 | -175.3 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | K80 I118 I129 V140 I141 F142 M143 | C73-K80 VanDerWaalsContact C-CD 3.48Å; C73-I118 HydrophobicContact CB-CB 4.45Å; C73-I118 HydrophobicContact CB-CG1 4.43Å; C73-I129 HydrophobicContact CB-CD1 4.23Å; C73-V140 WeakPolarHBondContact SG-CG1 3.49Å; C73-I141 PolarHBondContact N-O 3.19Å; C73-F142 CarbonylContact O-C 3.37Å; C73-F142 WeakPolarHBondContact O-CA 3.47Å; C73-M143 PolarHBondContact O-N 2.9Å |
| 74 | G | 94 | Very high | 87.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | 144 | 165.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112 | K80 | G74-K80 WeakPolarHBondContact O-CE 3.4Å; G74-K80 PolarHBondContact O-NZ 2.81Å | ||
| 75 | V | 92.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -58.7 | 160.3 | 177.7 | -63 | 0 | 0 | 0 | 0 | 111.9 | S78 K80 E155 V156 | V75-S78 WeakPolarHBondContact O-CB 3.09Å; V75-S78 PolarHBondContact O-N 3.31Å; V75-S78 PolarHBondContact O-OG 3.01Å; V75-K80 PolarHBondContact O-NZ 2.77Å; V75-E155 HydrophobicContact CG1-CB 4.24Å; V75-E155 HydrophobicContact CG1-CG 3.86Å; V75-V156 HydrophobicContact CB-CG2 4.47Å; V75-V156 HydrophobicContact CG1-CB 4.46Å; V75-V156 HydrophobicContact CG1-CG2 3.78Å; V75-V156 HydrophobicContact CG2-CG2 3.83Å |
| 76 | S | 90.5 | Very high | 90.5 | Very high | 46 Ų | 46 | 30.9 Ų | 30.9 | 32% | 0.322 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 149.6 | 173.2 | -70 | 0 | 0 | 0 | 0 | 111.1 | S78 G120 | S76-S78 PolarHBondContact O-N 3.3Å; S76-G120 WeakPolarHBondContact OG-CA 3.29Å; S76-G120 PolarHBondContact OG-O 2.87Å |
| 77 | S | 90.1 | Very high | 91.6 | Very high | 90 Ų | 90 | 22.4 Ų | 22.4 | 63% | 0.629 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | -2 | 179 | -52.2 | 0 | 0 | 0 | 0 | 117.5 | G79 K183 | S77-G79 PolarHBondContact O-N 2.94Å; S77-G79 VanDerWaalsContact O-N 3.11Å; S77-K183 WeakPolarHBondContact O-CE 3.48Å; S77-K183 PolarHBondContact O-NZ 2.87Å |
| 78 | S | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -61.7 | -15 | 173.3 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | V75 S76 K80 M143 N182 | V75-S78 WeakPolarHBondContact O-CB 3.09Å; V75-S78 PolarHBondContact O-N 3.31Å; V75-S78 PolarHBondContact O-OG 3.01Å; S76-S78 PolarHBondContact O-N 3.3Å; S78-K80 WeakPolarHBondContact OG-CG 3.48Å; S78-M143 WeakPolarHBondContact CB-O 3.45Å; S78-N182 PolarHBondContact O-ND2 3.23Å |
| 79 | G | 91.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 22 Ų | 22 | 13% | 0.134 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 96.7 | 20.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S77 V82 A83 | S77-G79 PolarHBondContact O-N 2.94Å; S77-G79 VanDerWaalsContact O-N 3.11Å; G79-V82 PolarHBondContact O-N 3.42Å; G79-A83 WeakPolarHBondContact O-CB 3.4Å; G79-A83 PolarHBondContact O-N 3.25Å |
| 80 | K | 93.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 22.3 Ų | 22.3 | 5% | 0.048 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -50.6 | -60.6 | 176.1 | -54.8 | -178.4 | -65.8 | -71.9 | 0 | 113.3 | L72 C73 G74 V75 S78 V82 A83 F84 D117 I118 M143 | L72-K80 HydrophobicContact CD2-CB 4.06Å; L72-K80 WeakPolarHBondContact CD2-O 3.3Å; L72-K80 HydrophobicContact CG-CB 4.13Å; L72-K80 HydrophobicContact CG-CG 4.47Å; C73-K80 VanDerWaalsContact C-CD 3.48Å; G74-K80 WeakPolarHBondContact O-CE 3.4Å; G74-K80 PolarHBondContact O-NZ 2.81Å; V75-K80 PolarHBondContact O-NZ 2.77Å; S78-K80 WeakPolarHBondContact OG-CG 3.48Å; K80-V82 VanDerWaalsContact C-N 3.3Å; K80-V82 PolarHBondContact O-N 2.8Å; K80-A83 CarbonylContact O-C 3.54Å; K80-A83 WeakPolarHBondContact O-CB 3.39Å; K80-A83 PolarHBondContact O-N 3.16Å; K80-F84 WeakPolarHBondContact O-CB 3.49Å; K80-F84 PolarHBondContact O-N 3.21Å; K80-D117 WeakPolarHBondContact CB-OD1 3.44Å; K80-I118 WeakPolarHBondContact CE-O 3.23Å; K80-M143 WeakPolarHBondContact CA-SD 3.44Å; K80-M143 HydrophobicContact CB-SD 4.33Å; K80-M143 HydrophobicContact CG-CB 4.14Å; K80-M143 HydrophobicContact CG-CG 4.43Å; K80-M143 HydrophobicContact CG-SD 4.23Å |
| 81 | T | 92.7 | Very high | 91 | Very high | 23 Ų | 23 | 27.6 Ų | 27.6 | 14% | 0.141 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -36.9 | -177.6 | -44.6 | 0 | 0 | 0 | 0 | 112.4 | F84 L85 T95 S98 D117 | T81-F84 PolarHBondContact O-N 3.27Å; T81-L85 HydrophobicContact CG2-CD1 4.36Å; T81-L85 WeakPolarHBondContact O-CB 3.38Å; T81-L85 VanDerWaalsContact O-CG 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.41Å; T81-L85 PolarHBondContact O-N 3.45Å; T81-T95 HydrophobicContact CG2-CG2 3.86Å; T81-S98 PolarHBondContact OG1-OG 2.67Å; T81-D117 VanDerWaalsContact CA-OD2 3.32Å; T81-D117 WeakPolarHBondContact CA-OD2 3.22Å; T81-D117 WeakPolarHBondContact CB-OD2 3.45Å; T81-D117 PolarHBondContact OG1-OD2 3.35Å |
| 82 | V | 92.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 174.2 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | G79 K80 L85 R86 F92 T95 | G79-V82 PolarHBondContact O-N 3.42Å; K80-V82 VanDerWaalsContact C-N 3.3Å; K80-V82 PolarHBondContact O-N 2.8Å; V82-L85 PolarHBondContact O-N 3.37Å; V82-R86 WeakPolarHBondContact O-CB 3.33Å; V82-R86 PolarHBondContact O-N 3.31Å; V82-F92 HydrophobicContact CG1-CD2 3.62Å; V82-F92 HydrophobicContact CG1-CE2 3.56Å; V82-T95 HydrophobicContact CG2-CG2 3.77Å; V82-T95 VanDerWaalsContact CG2-OG1 3.27Å; V82-T95 WeakPolarHBondContact CG2-OG1 3.24Å |
| 83 | A | 92.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L72 G79 K80 R86 L87 M143 S255 | L72-A83 HydrophobicContact CD2-CB 4.39Å; G79-A83 WeakPolarHBondContact O-CB 3.4Å; G79-A83 PolarHBondContact O-N 3.25Å; K80-A83 CarbonylContact O-C 3.54Å; K80-A83 WeakPolarHBondContact O-CB 3.39Å; K80-A83 PolarHBondContact O-N 3.16Å; A83-R86 PolarHBondContact O-N 2.57Å; A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 VanDerWaalsContact O-CG 3.27Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 2.78Å; A83-M143 HydrophobicContact CB-CE 3.67Å; A83-M143 HydrophobicContact CB-SD 3.55Å; A83-M143 VanDerWaalsContact CB-SD 3.55Å; A83-S255 WeakPolarHBondContact CB-OG 3.35Å |
| 84 | F | 93.6 | Very high | 89.3 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 6% | 0.057 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.5 | -55.9 | 174.6 | 173.9 | -96.6 | 0 | 0 | 0 | 110.8 | L72 K80 T81 R86 L87 M88 N102 L115 D117 | L72-F84 HydrophobicContact CD2-CB 3.92Å; K80-F84 WeakPolarHBondContact O-CB 3.49Å; K80-F84 PolarHBondContact O-N 3.21Å; T81-F84 PolarHBondContact O-N 3.27Å; F84-R86 VanDerWaalsContact C-N 3.29Å; F84-R86 PolarHBondContact O-N 3.14Å; F84-L87 PolarHBondContact O-N 3.38Å; F84-M88 HydrophobicContact CD1-CG 4.39Å; F84-M88 HydrophobicContact CD2-CG 4.31Å; F84-M88 HydrophobicContact CE1-CG 4.06Å; F84-M88 HydrophobicContact CE2-CG 3.97Å; F84-M88 HydrophobicContact CE2-SD 4.33Å; F84-M88 HydrophobicContact CG-CG 4.5Å; F84-M88 HydrophobicContact CZ-CG 3.83Å; F84-M88 HydrophobicContact CZ-SD 4.43Å; F84-M88 WeakPolarHBondContact O-CB 3.45Å; F84-M88 VanDerWaalsContact O-CG 3.22Å; F84-M88 WeakPolarHBondContact O-CG 3.29Å; F84-M88 PolarHBondContact O-N 2.9Å; F84-N102 HydrophobicContact CD1-CB 4.03Å; F84-N102 HydrophobicContact CE1-CB 3.61Å; F84-N102 HydrophobicContact CZ-CB 3.91Å; F84-L115 HydrophobicContact CD2-CB 4.37Å; F84-L115 HydrophobicContact CD2-CD2 3.72Å; F84-L115 HydrophobicContact CD2-CG 3.91Å; F84-L115 HydrophobicContact CE2-CB 4.31Å; F84-L115 HydrophobicContact CE2-CD2 4.39Å; F84-L115 HydrophobicContact CE2-CG 4.34Å; F84-D117 HydrophobicContact CB-CB 4.12Å; F84-D117 HydrophobicContact CD2-CB 4.03Å; F84-D117 HydrophobicContact CG-CB 3.96Å |
| 85 | L | 91.8 | Very high | 88.9 | Confident | 44 Ų | 44 | 42.8 Ų | 42.8 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 178.8 | -69 | 176 | 0 | 0 | 0 | 112 | T81 V82 M88 T89 L93 T95 | T81-L85 HydrophobicContact CG2-CD1 4.36Å; T81-L85 WeakPolarHBondContact O-CB 3.38Å; T81-L85 VanDerWaalsContact O-CG 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.41Å; T81-L85 PolarHBondContact O-N 3.45Å; V82-L85 PolarHBondContact O-N 3.37Å; L85-M88 PolarHBondContact O-N 3.48Å; L85-T89 WeakPolarHBondContact O-CB 2.99Å; L85-T89 PolarHBondContact O-N 3Å; L85-T89 PolarHBondContact O-OG1 2.91Å; L85-L93 HydrophobicContact CD1-CB 4.02Å; L85-L93 HydrophobicContact CD1-CD1 4.33Å; L85-T95 HydrophobicContact CD1-CG2 3.59Å |
| 86 | R | 89.8 | Confident | 88.4 | Confident | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 177.8 | -172.8 | 68.3 | 179.1 | -171.7 | 7.4 | 112.3 | V82 A83 F84 G90 M91 F92 L268 | V82-R86 WeakPolarHBondContact O-CB 3.33Å; V82-R86 PolarHBondContact O-N 3.31Å; A83-R86 PolarHBondContact O-N 2.57Å; F84-R86 VanDerWaalsContact C-N 3.29Å; F84-R86 PolarHBondContact O-N 3.14Å; R86-G90 PolarHBondContact NE-O 2.94Å; R86-G90 PolarHBondContact NH1-O 2.94Å; R86-G90 VanDerWaalsContact NH1-O 3.16Å; R86-G90 WeakPolarHBondContact O-CA 3.27Å; R86-G90 PolarHBondContact O-N 3.39Å; R86-M91 WeakPolarHBondContact CA-O 3.34Å; R86-M91 VanDerWaalsContact CD-O 3.31Å; R86-M91 WeakPolarHBondContact CD-O 3.46Å; R86-F92 VanDerWaalsContact NH1-N 3.12Å; R86-L268 HydrophobicContact CB-CD1 4Å; R86-L268 HydrophobicContact CG-CD1 3.52Å |
| 87 | L | 90 | Very high | 88 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68 | -39.7 | 175.5 | -73.2 | 168.7 | 0 | 0 | 0 | 111.4 | A83 F84 L106 L115 L268 V271 K272 L275 | A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 VanDerWaalsContact O-CG 3.27Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 2.78Å; F84-L87 PolarHBondContact O-N 3.38Å; L87-L106 HydrophobicContact CB-CD1 4.06Å; L87-L106 HydrophobicContact CB-CD2 4.31Å; L87-L106 VanDerWaalsContact O-CD2 3.28Å; L87-L106 WeakPolarHBondContact O-CD2 3.4Å; L87-L115 HydrophobicContact CB-CD2 4.42Å; L87-L115 HydrophobicContact CD1-CD2 3.71Å; L87-L268 HydrophobicContact CD2-CB 4.47Å; L87-L268 HydrophobicContact CD2-CD1 4.34Å; L87-L268 HydrophobicContact CG-CD1 4.38Å; L87-V271 HydrophobicContact CD1-CG1 4.21Å; L87-K272 HydrophobicContact CD2-CG 3.76Å; L87-L275 HydrophobicContact CD1-CD1 4.17Å; L87-L275 HydrophobicContact CD2-CD1 4.5Å |
| 88 | M | 88.8 | Confident | 87.6 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.6 | -43.5 | -177.8 | -68 | -59.8 | -59.6 | 0 | 0 | 113.4 | F84 L85 G104 L106 | F84-M88 HydrophobicContact CD1-CG 4.39Å; F84-M88 HydrophobicContact CD2-CG 4.31Å; F84-M88 HydrophobicContact CE1-CG 4.06Å; F84-M88 HydrophobicContact CE2-CG 3.97Å; F84-M88 HydrophobicContact CE2-SD 4.33Å; F84-M88 HydrophobicContact CG-CG 4.5Å; F84-M88 HydrophobicContact CZ-CG 3.83Å; F84-M88 HydrophobicContact CZ-SD 4.43Å; F84-M88 WeakPolarHBondContact O-CB 3.45Å; F84-M88 VanDerWaalsContact O-CG 3.22Å; F84-M88 WeakPolarHBondContact O-CG 3.29Å; F84-M88 PolarHBondContact O-N 2.9Å; L85-M88 PolarHBondContact O-N 3.48Å; M88-G104 VanDerWaalsContact CE-CA 3.46Å; M88-L106 HydrophobicContact CG-CD2 4.32Å; M88-L106 HydrophobicContact SD-CD2 3.36Å; M88-L106 WeakPolarHBondContact SD-CD2 3.36Å; M88-L106 HydrophobicContact SD-CG 3.7Å |
| 89 | T | 86 | Confident | 87 | Confident | 65 Ų | 65 | 53 Ų | 53 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -108.1 | -14.6 | -170.6 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | L85 M91 | L85-T89 WeakPolarHBondContact O-CB 2.99Å; L85-T89 PolarHBondContact O-N 3Å; L85-T89 PolarHBondContact O-OG1 2.91Å; T89-M91 PolarHBondContact O-N 2.91Å; T89-M91 VanDerWaalsContact O-N 3.15Å; T89-M91 PolarHBondContact OG1-N 3.12Å; T89-M91 VanDerWaalsContact OG1-N 3.13Å; T89-M91 PolarHBondContact OG1-O 3.03Å |
| 90 | G | 83.9 | Confident | 86.6 | Confident | 40 Ų | 40 | 56 Ų | 56 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 72.2 | -9.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R86 | R86-G90 PolarHBondContact NE-O 2.94Å; R86-G90 PolarHBondContact NH1-O 2.94Å; R86-G90 VanDerWaalsContact NH1-O 3.16Å; R86-G90 WeakPolarHBondContact O-CA 3.27Å; R86-G90 PolarHBondContact O-N 3.39Å |
| 91 | M | 80.7 | Confident | 86.3 | Confident | 110 Ų | 110 | 57.6 Ų | 57.6 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -101.6 | 153.6 | -175.5 | -61.2 | -171.2 | -64.3 | 0 | 0 | 112 | R86 T89 | R86-M91 WeakPolarHBondContact CA-O 3.34Å; R86-M91 VanDerWaalsContact CD-O 3.31Å; R86-M91 WeakPolarHBondContact CD-O 3.46Å; T89-M91 PolarHBondContact O-N 2.91Å; T89-M91 VanDerWaalsContact O-N 3.15Å; T89-M91 PolarHBondContact OG1-N 3.12Å; T89-M91 VanDerWaalsContact OG1-N 3.13Å; T89-M91 PolarHBondContact OG1-O 3.03Å |
| 92 | F | 82.3 | Confident | 86.2 | Confident | 88 Ų | 88 | 59 Ų | 59 | 39% | 0.386 | 36% | 0.357 | S | S | . | . | trans | -87.9 | 121.3 | 167.2 | 171.4 | -102.1 | 0 | 0 | 0 | 108.3 | V82 R86 K256 | V82-F92 HydrophobicContact CG1-CD2 3.62Å; V82-F92 HydrophobicContact CG1-CE2 3.56Å; R86-F92 VanDerWaalsContact NH1-N 3.12Å; F92-K256 HydrophobicContact CD2-CG 4.07Å; F92-K256 HydrophobicContact CE2-CD 4.19Å; F92-K256 HydrophobicContact CE2-CG 3.56Å; F92-K256 HydrophobicContact CZ-CD 4.33Å; F92-K256 HydrophobicContact CZ-CG 4.14Å | ||
| 93 | L | 83 | Confident | 86.2 | Confident | 62 Ų | 62 | 62.2 Ų | 62.2 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | trans | -118.7 | 139.8 | 177.9 | -63.9 | 176 | 0 | 0 | 0 | 109.4 | L85 | L85-L93 HydrophobicContact CD1-CB 4.02Å; L85-L93 HydrophobicContact CD1-CD1 4.33Å | ||
| 94 | P | 82.5 | Confident | 86.1 | Confident | 118 Ų | 118 | 62.5 Ų | 62.5 | 77% | 0.766 | 37% | 0.374 | S | S | * | . | trans | -63.7 | 138.2 | 173 | 27.9 | -33.4 | 0 | 0 | 0 | 109.8 | ||||
| 95 | T | 85.5 | Confident | 86.1 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | trans | -125.7 | 146.2 | -176.8 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | T81 V82 L85 | T81-T95 HydrophobicContact CG2-CG2 3.86Å; V82-T95 HydrophobicContact CG2-CG2 3.77Å; V82-T95 VanDerWaalsContact CG2-OG1 3.27Å; V82-T95 WeakPolarHBondContact CG2-OG1 3.24Å; L85-T95 HydrophobicContact CD1-CG2 3.59Å | ||
| 96 | V | 82.7 | Confident | 86 | Confident | 131 Ų | 131 | 63.5 Ų | 63.5 | 79% | 0.794 | 38% | 0.382 | S | S | * | . | trans | -104.3 | 171.6 | 164.1 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | S98 | V96-S98 PolarHBondContact O-N 3.39Š| ||
| 97 | T | 82.1 | Confident | 86 | Confident | 114 Ų | 114 | 69 Ų | 69 | 70% | 0.699 | 41% | 0.409 | S | S | * | . | trans | -58.6 | 122.3 | 175.8 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | A99 | T97-A99 PolarHBondContact O-N 2.82Š| ||
| 98 | S | 81.5 | Confident | 85.7 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 14% | 0.14 | 42% | 0.415 | C | S | . | . | trans | -69.6 | 127.7 | 178.8 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | T81 V96 | T81-S98 PolarHBondContact OG1-OG 2.67Å; V96-S98 PolarHBondContact O-N 3.39Å | ||
| 99 | A | 80.8 | Confident | 85.5 | Confident | 86 Ų | 86 | 70 Ų | 70 | 71% | 0.711 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -89.1 | -19.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T97 L124 | T97-A99 PolarHBondContact O-N 2.82Å; A99-L124 WeakPolarHBondContact O-CD1 3.5Å |
| 100 | S | 83.2 | Confident | 85.2 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 54% | 0.538 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -137.8 | 166.1 | -179.1 | 60 | 0 | 0 | 0 | 0 | 111.1 | ||
| 101 | T | 86 | Confident | 85.2 | Confident | 44 Ų | 44 | 73.5 Ų | 73.5 | 27% | 0.27 | 45% | 0.445 | S | S | . | . | trans | -69.4 | 133.1 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | D117 I118 I128 | T101-D117 VanDerWaalsContact CA-O 3.26Å; T101-D117 WeakPolarHBondContact CA-O 3.41Å; T101-I118 HydrophobicContact CG2-CD1 4.39Å; T101-I128 HydrophobicContact CG2-CB 4.49Å; T101-I128 HydrophobicContact CG2-CD1 3.81Å; T101-I128 HydrophobicContact CG2-CG1 4.36Å; T101-I128 HydrophobicContact CG2-CG2 3.42Å; T101-I128 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 102 | N | 90.9 | Very high | 85.6 | Confident | 52 Ų | 52 | 72.9 Ų | 72.9 | 28% | 0.278 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 135.5 | 168 | -51.3 | -63.4 | 0 | 0 | 0 | 109.2 | F84 V116 D117 | F84-N102 HydrophobicContact CD1-CB 4.03Å; F84-N102 HydrophobicContact CE1-CB 3.61Å; F84-N102 HydrophobicContact CZ-CB 3.91Å; N102-V116 CarbonylContact O-C 3.57Å; N102-V116 WeakPolarHBondContact O-CA 3.43Å; N102-D117 HydrophobicContact CB-CB 3.92Å; N102-D117 PolarHBondContact N-O 3.02Å; N102-D117 PolarHBondContact ND2-OD2 2.81Å; N102-D117 PolarHBondContact O-N 2.68Å |
| 103 | E | 92.3 | Very high | 86 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 38% | 0.379 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.1 | 175.6 | -62.8 | -165.1 | -175.8 | 0 | 0 | 110.4 | R114 L115 V116 K132 | E103-R114 IonicContact OE2-NH1 3.02Å; E103-R114 PolarHBondContact OE2-NH1 2.83Å; E103-L115 WeakPolarHBondContact CA-O 3.17Å; E103-V116 HydrophobicContact CG-CB 4.44Å; E103-V116 HydrophobicContact CG-CG1 4.08Å; E103-V116 HydrophobicContact CG-CG2 4.05Å; E103-K132 IonicContact OE1-NZ 3.38Å; E103-K132 PolarHBondContact OE1-NZ 3.25Å |
| 104 | G | 91.6 | Very high | 86.5 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 9% | 0.093 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 145.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | M88 R114 L115 | M88-G104 VanDerWaalsContact CE-CA 3.46Å; G104-R114 CarbonylContact O-C 3.53Å; G104-R114 WeakPolarHBondContact O-CA 3.26Å; G104-L115 PolarHBondContact N-O 2.84Å; G104-L115 PolarHBondContact O-N 3.36Å |
| 105 | V | 92.3 | Very high | 87.1 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 39% | 0.388 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.4 | 177 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | E67 F112 | E67-V105 VanDerWaalsContact OE1-CG2 3.26Å; E67-V105 WeakPolarHBondContact OE1-CG2 3.27Å; V105-F112 HydrophobicContact CG1-CB 4.01Å; V105-F112 HydrophobicContact CG1-CD1 4Å; V105-F112 HydrophobicContact CG1-CG 4.46Å |
| 106 | L | 90.9 | Very high | 87.5 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.7 | 173.8 | -66.6 | 172 | 0 | 0 | 0 | 109.3 | L87 M88 L108 F112 V113 L115 L275 | L87-L106 HydrophobicContact CB-CD1 4.06Å; L87-L106 HydrophobicContact CB-CD2 4.31Å; L87-L106 VanDerWaalsContact O-CD2 3.28Å; L87-L106 WeakPolarHBondContact O-CD2 3.4Å; M88-L106 HydrophobicContact CG-CD2 4.32Å; M88-L106 HydrophobicContact SD-CD2 3.36Å; M88-L106 WeakPolarHBondContact SD-CD2 3.36Å; M88-L106 HydrophobicContact SD-CG 3.7Å; L106-L108 HydrophobicContact CB-CG 4.45Å; L106-F112 WeakPolarHBondContact O-CA 3.28Å; L106-V113 PolarHBondContact N-O 2.97Å; L106-V113 PolarHBondContact O-N 3.04Å; L106-L115 HydrophobicContact CD1-CB 4.2Å; L106-L115 HydrophobicContact CD1-CD2 3.97Å; L106-L275 HydrophobicContact CD1-CD1 4.06Å |
| 107 | Q | 88.6 | Confident | 88 | Confident | 136 Ų | 136 | 54.6 Ų | 54.6 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113.1 | 168.4 | -173.3 | 176.6 | -9.1 | 0 | 0 | 109.1 | G109 F112 | Q107-G109 PolarHBondContact NE2-O 3.37Å; Q107-F112 HydrophobicContact CB-CD1 4.14Å; Q107-F112 HydrophobicContact CB-CE1 3.95Å; Q107-F112 HydrophobicContact CG-CD1 4.23Å; Q107-F112 HydrophobicContact CG-CE1 3.77Å; Q107-F112 HydrophobicContact CG-CZ 4.29Å |
| 108 | L | 85.2 | Confident | 88.4 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 92 | 178.4 | -63.6 | 172.7 | 0 | 0 | 0 | 108.2 | L106 T110 S111 V113 L275 | L106-L108 HydrophobicContact CB-CG 4.45Å; L108-T110 PolarHBondContact O-N 3.15Å; L108-S111 PolarHBondContact N-O 3.32Å; L108-S111 PolarHBondContact O-N 3.4Å; L108-S111 VanDerWaalsContact O-N 3.16Å; L108-V113 HydrophobicContact CD1-CG2 4.16Å; L108-L275 HydrophobicContact CD1-CB 3.36Å; L108-L275 HydrophobicContact CD1-CD1 4.46Å |
| 109 | G | 82.7 | Confident | 88.8 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 66% | 0.66 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | -116.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q107 | Q107-G109 PolarHBondContact NE2-O 3.37Š|
| 110 | T | 80.8 | Confident | 88.7 | Confident | 135 Ų | 135 | 44.4 Ų | 44.4 | 83% | 0.828 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7 | 178.9 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | L108 | L108-T110 PolarHBondContact O-N 3.15Š|
| 111 | S | 83.6 | Confident | 88.5 | Confident | 42 Ų | 42 | 42.7 Ų | 42.7 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 143.9 | -174.9 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | L108 | L108-S111 PolarHBondContact N-O 3.32Å; L108-S111 PolarHBondContact O-N 3.4Å; L108-S111 VanDerWaalsContact O-N 3.16Å |
| 112 | F | 88.7 | Confident | 88 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 43% | 0.425 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.7 | 174.6 | -63.7 | -82.2 | 0 | 0 | 0 | 109.9 | K68 V105 L106 Q107 | K68-F112 PolarHBondContact N-O 3.09Å; V105-F112 HydrophobicContact CG1-CB 4.01Å; V105-F112 HydrophobicContact CG1-CD1 4Å; V105-F112 HydrophobicContact CG1-CG 4.46Å; L106-F112 WeakPolarHBondContact O-CA 3.28Å; Q107-F112 HydrophobicContact CB-CD1 4.14Å; Q107-F112 HydrophobicContact CB-CE1 3.95Å; Q107-F112 HydrophobicContact CG-CD1 4.23Å; Q107-F112 HydrophobicContact CG-CE1 3.77Å; Q107-F112 HydrophobicContact CG-CZ 4.29Å |
| 113 | V | 91.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | K68 V70 L106 L108 L115 L275 | K68-V113 HydrophobicContact CB-CG2 4.4Å; K68-V113 CarbonylContact O-C 3.55Å; K68-V113 WeakPolarHBondContact O-CA 3.48Å; V70-V113 HydrophobicContact CB-CG1 4.02Å; V70-V113 HydrophobicContact CG2-CG1 3.59Å; L106-V113 PolarHBondContact N-O 2.97Å; L106-V113 PolarHBondContact O-N 3.04Å; L108-V113 HydrophobicContact CD1-CG2 4.16Å; V113-L115 PolarHBondContact O-N 2.8Å; V113-L275 HydrophobicContact CG1-CD2 4.14Å |
| 114 | R | 93 | Very high | 86.4 | Confident | 72 Ų | 72 | 51.8 Ų | 51.8 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 107.4 | 169.7 | -174.7 | 177 | -68.4 | -88.5 | -12.2 | 109 | E67 K68 I69 V70 E103 G104 V116 | E67-R114 VanDerWaalsContact CD-NE 3.25Å; E67-R114 VanDerWaalsContact CD-NH2 3.34Å; E67-R114 HydrophobicContact CG-CB 3.97Å; E67-R114 WeakPolarHBondContact OE1-CB 3.31Å; E67-R114 IonicContact OE1-CZ 3.73Å; E67-R114 IonicContact OE1-NE 3.36Å; E67-R114 PolarHBondContact OE1-NE 2.86Å; E67-R114 VanDerWaalsContact OE1-NE 3.13Å; E67-R114 IonicContact OE1-NH2 3.64Å; E67-R114 PolarHBondContact OE1-NH2 3.5Å; E67-R114 IonicContact OE2-CZ 2.81Å; E67-R114 IonicContact OE2-NE 3Å; E67-R114 PolarHBondContact OE2-NE 2.85Å; E67-R114 IonicContact OE2-NH2 3.04Å; E67-R114 PolarHBondContact OE2-NH2 3.17Å; K68-R114 PolarHBondContact O-N 3.02Å; I69-R114 WeakPolarHBondContact CA-O 3.18Å; I69-R114 HydrophobicContact CG1-CB 4.4Å; V70-R114 PolarHBondContact N-O 3Å; E103-R114 IonicContact OE2-NH1 3.02Å; E103-R114 PolarHBondContact OE2-NH1 2.83Å; G104-R114 CarbonylContact O-C 3.53Å; G104-R114 WeakPolarHBondContact O-CA 3.26Å; R114-V116 HydrophobicContact CG-CG2 4.17Å |
| 115 | L | 94.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 129 | 172.7 | -170.9 | 64.2 | 0 | 0 | 0 | 109.3 | V70 L72 F84 L87 E103 G104 L106 V113 I141 | V70-L115 HydrophobicContact CB-CD1 4.23Å; V70-L115 HydrophobicContact CG1-CD1 4.01Å; V70-L115 WeakPolarHBondContact O-CA 3.46Å; L72-L115 HydrophobicContact CB-CD1 4.24Å; F84-L115 HydrophobicContact CD2-CB 4.37Å; F84-L115 HydrophobicContact CD2-CD2 3.72Å; F84-L115 HydrophobicContact CD2-CG 3.91Å; F84-L115 HydrophobicContact CE2-CB 4.31Å; F84-L115 HydrophobicContact CE2-CD2 4.39Å; F84-L115 HydrophobicContact CE2-CG 4.34Å; L87-L115 HydrophobicContact CB-CD2 4.42Å; L87-L115 HydrophobicContact CD1-CD2 3.71Å; E103-L115 WeakPolarHBondContact CA-O 3.17Å; G104-L115 PolarHBondContact N-O 2.84Å; G104-L115 PolarHBondContact O-N 3.36Å; L106-L115 HydrophobicContact CD1-CB 4.2Å; L106-L115 HydrophobicContact CD1-CD2 3.97Å; V113-L115 PolarHBondContact O-N 2.8Å; L115-I141 HydrophobicContact CD1-CD1 4.42Å |
| 116 | V | 93.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 108.7 | -179.8 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | I69 V70 L71 L72 N102 E103 R114 I118 K132 | I69-V116 HydrophobicContact CG2-CG2 4.11Å; V70-V116 PolarHBondContact O-N 3Å; L71-V116 HydrophobicContact CD2-CB 3.86Å; L71-V116 HydrophobicContact CD2-CG1 4.32Å; L71-V116 HydrophobicContact CD2-CG2 4.21Å; L72-V116 PolarHBondContact N-O 2.78Å; N102-V116 CarbonylContact O-C 3.57Å; N102-V116 WeakPolarHBondContact O-CA 3.43Å; E103-V116 HydrophobicContact CG-CB 4.44Å; E103-V116 HydrophobicContact CG-CG1 4.08Å; E103-V116 HydrophobicContact CG-CG2 4.05Å; R114-V116 HydrophobicContact CG-CG2 4.17Å; V116-I118 HydrophobicContact CG1-CD1 3.85Å; V116-K132 HydrophobicContact CG1-CD 4.33Å |
| 117 | D | 93.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119.9 | 172.5 | -176 | 27.7 | 0 | 0 | 0 | 110.4 | K80 T81 F84 T101 N102 | K80-D117 WeakPolarHBondContact CB-OD1 3.44Å; T81-D117 VanDerWaalsContact CA-OD2 3.32Å; T81-D117 WeakPolarHBondContact CA-OD2 3.22Å; T81-D117 WeakPolarHBondContact CB-OD2 3.45Å; T81-D117 PolarHBondContact OG1-OD2 3.35Å; F84-D117 HydrophobicContact CB-CB 4.12Å; F84-D117 HydrophobicContact CD2-CB 4.03Å; F84-D117 HydrophobicContact CG-CB 3.96Å; T101-D117 VanDerWaalsContact CA-O 3.26Å; T101-D117 WeakPolarHBondContact CA-O 3.41Å; N102-D117 HydrophobicContact CB-CB 3.92Å; N102-D117 PolarHBondContact N-O 3.02Å; N102-D117 PolarHBondContact ND2-OD2 2.81Å; N102-D117 PolarHBondContact O-N 2.68Å |
| 118 | I | 91.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 129 | -179.4 | -52.4 | -66.5 | 0 | 0 | 0 | 109.2 | L72 C73 K80 T101 V116 I128 I129 K132 | L72-I118 WeakPolarHBondContact O-CB 3.41Å; L72-I118 WeakPolarHBondContact O-CG1 3.48Å; L72-I118 PolarHBondContact O-N 3.09Å; C73-I118 HydrophobicContact CB-CB 4.45Å; C73-I118 HydrophobicContact CB-CG1 4.43Å; K80-I118 WeakPolarHBondContact CE-O 3.23Å; T101-I118 HydrophobicContact CG2-CD1 4.39Å; V116-I118 HydrophobicContact CG1-CD1 3.85Å; I118-I128 HydrophobicContact CD1-CG2 3.51Å; I118-I128 HydrophobicContact CG2-CB 4.47Å; I118-I128 HydrophobicContact CG2-CG2 4.37Å; I118-I129 HydrophobicContact CG2-CD1 4.49Å; I118-I129 HydrophobicContact CG2-CG1 4.04Å; I118-K132 HydrophobicContact CD1-CG 4.37Å |
| 119 | P | 88.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -51 | 144 | 173.1 | -29.6 | 36.5 | 0 | 0 | 0 | 113.3 | L124 I128 | P119-L124 HydrophobicContact CB-CB 4.39Å; P119-L124 HydrophobicContact CB-CD1 4.43Å; P119-I128 HydrophobicContact CG-CD1 4.15Å |
| 120 | G | 78.6 | Confident | 84.4 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -78.9 | -17.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S76 E122 R125 | S76-G120 WeakPolarHBondContact OG-CA 3.29Å; S76-G120 PolarHBondContact OG-O 2.87Å; G120-E122 PolarHBondContact O-N 3.13Å; G120-R125 PolarHBondContact O-NE 2.84Å; G120-R125 PolarHBondContact O-NH2 3.21Å |
| 121 | A | 79.7 | Confident | 84.6 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -65.5 | 132.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | E123 L124 R125 | A121-E123 PolarHBondContact O-N 2.96Å; A121-L124 PolarHBondContact O-N 3.03Å; A121-R125 WeakPolarHBondContact O-CB 3.34Å; A121-R125 PolarHBondContact O-N 2.93Å |
| 122 | E | 75.1 | Confident | 84.6 | Confident | 115 Ų | 115 | 48 Ų | 48 | 54% | 0.537 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.5 | -46.5 | -168.9 | -169.8 | -178.1 | 170.4 | 0 | 0 | 113.3 | G120 L124 R125 K126 | G120-E122 PolarHBondContact O-N 3.13Å; E122-L124 PolarHBondContact O-N 3.26Å; E122-R125 PolarHBondContact O-N 2.95Å; E122-K126 PolarHBondContact O-N 2.69Å; E122-K126 WeakPolarHBondContact OE1-CE 3.46Å; E122-K126 IonicContact OE1-NZ 2.93Å; E122-K126 PolarHBondContact OE1-NZ 2.95Å |
| 123 | E | 74.3 | Confident | 84.2 | Confident | 182 Ų | 182 | 43.8 Ų | 43.8 | 85% | 0.85 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.6 | -46.5 | -176.5 | -62.8 | 177.1 | 176.2 | 0 | 0 | 112.5 | A121 | A121-E123 PolarHBondContact O-N 2.96Å |
| 124 | L | 75.7 | Confident | 83.5 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 37% | 0.372 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72.5 | -37.9 | 179.1 | -63.7 | 177.4 | 0 | 0 | 0 | 111.4 | A99 P119 A121 E122 K126 I128 | A99-L124 WeakPolarHBondContact O-CD1 3.5Å; P119-L124 HydrophobicContact CB-CB 4.39Å; P119-L124 HydrophobicContact CB-CD1 4.43Å; A121-L124 PolarHBondContact O-N 3.03Å; E122-L124 PolarHBondContact O-N 3.26Å; L124-K126 PolarHBondContact O-N 3.39Å; L124-I128 HydrophobicContact CB-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CB 3.45Å; L124-I128 VanDerWaalsContact O-CD1 3.27Å; L124-I128 WeakPolarHBondContact O-CD1 3.43Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.85Å |
| 125 | R | 80.9 | Confident | 82.9 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -49.8 | -174.4 | 174.6 | 161.4 | 35 | 134.3 | -16.4 | 112 | G120 A121 E122 I129 E155 L159 | G120-R125 PolarHBondContact O-NE 2.84Å; G120-R125 PolarHBondContact O-NH2 3.21Å; A121-R125 WeakPolarHBondContact O-CB 3.34Å; A121-R125 PolarHBondContact O-N 2.93Å; E122-R125 PolarHBondContact O-N 2.95Å; R125-I129 HydrophobicContact CG-CD1 3.58Å; R125-I129 VanDerWaalsContact O-CB 3.29Å; R125-I129 WeakPolarHBondContact O-CB 3.36Å; R125-I129 WeakPolarHBondContact O-CD1 3.29Å; R125-I129 WeakPolarHBondContact O-CG1 3.31Å; R125-I129 PolarHBondContact O-N 3.5Å; R125-E155 IonicContact CZ-OE1 3.05Å; R125-E155 IonicContact NH1-OE1 2.96Å; R125-E155 IonicContact NH2-OE1 3.97Å; R125-E155 PolarHBondContact NH2-OE1 3.16Å; R125-L159 HydrophobicContact CG-CD1 3.86Å; R125-L159 VanDerWaalsContact NH1-CD2 3.28Å |
| 126 | K | 79.6 | Confident | 82 | Confident | 84 Ų | 84 | 58.4 Ų | 58.4 | 37% | 0.365 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | -176.7 | -62.6 | -170.9 | -169.5 | -170.7 | 0 | 112.4 | E122 L124 L130 E162 | E122-K126 PolarHBondContact O-N 2.69Å; E122-K126 WeakPolarHBondContact OE1-CE 3.46Å; E122-K126 IonicContact OE1-NZ 2.93Å; E122-K126 PolarHBondContact OE1-NZ 2.95Å; L124-K126 PolarHBondContact O-N 3.39Å; K126-L130 WeakPolarHBondContact O-CB 3.27Å; K126-L130 PolarHBondContact O-N 2.89Å; K126-L130 VanDerWaalsContact O-N 3.11Å; K126-E162 WeakPolarHBondContact CE-OE1 3.4Å; K126-E162 WeakPolarHBondContact CE-OE2 3.47Å; K126-E162 IonicContact NZ-OE1 3.78Å; K126-E162 PolarHBondContact NZ-OE1 2.8Å; K126-E162 IonicContact NZ-OE2 2.91Å |
| 127 | M | 82.5 | Confident | 81.7 | Confident | 110 Ų | 110 | 58.7 Ų | 58.7 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -51.1 | 179.2 | -176.3 | -174.3 | 123.6 | 0 | 0 | 111.2 | L130 E131 | M127-L130 PolarHBondContact O-N 3.48Å; M127-E131 WeakPolarHBondContact O-CG 3.01Å; M127-E131 PolarHBondContact O-N 2.86Å |
| 128 | I | 81.9 | Confident | 81.6 | Confident | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.4 | -42.3 | -175.9 | -61.4 | 163.9 | 0 | 0 | 0 | 110.7 | T101 I118 P119 L124 L130 E131 K132 | T101-I128 HydrophobicContact CG2-CB 4.49Å; T101-I128 HydrophobicContact CG2-CD1 3.81Å; T101-I128 HydrophobicContact CG2-CG1 4.36Å; T101-I128 HydrophobicContact CG2-CG2 3.42Å; T101-I128 VanDerWaalsContact CG2-CG2 3.42Å; I118-I128 HydrophobicContact CD1-CG2 3.51Å; I118-I128 HydrophobicContact CG2-CB 4.47Å; I118-I128 HydrophobicContact CG2-CG2 4.37Å; P119-I128 HydrophobicContact CG-CD1 4.15Å; L124-I128 HydrophobicContact CB-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CB 3.45Å; L124-I128 VanDerWaalsContact O-CD1 3.27Å; L124-I128 WeakPolarHBondContact O-CD1 3.43Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.85Å; I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 3.21Å; I128-E131 PolarHBondContact O-N 3.29Å; I128-K132 HydrophobicContact CG2-CG 3.96Å; I128-K132 WeakPolarHBondContact O-CB 3.46Å; I128-K132 WeakPolarHBondContact O-CG 3.39Å; I128-K132 PolarHBondContact O-N 3.17Å |
| 129 | I | 81.6 | Confident | 81.7 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 177.1 | -72.5 | 170.3 | 0 | 0 | 0 | 110 | C73 I118 R125 E131 K132 L133 L159 V163 L166 | C73-I129 HydrophobicContact CB-CD1 4.23Å; I118-I129 HydrophobicContact CG2-CD1 4.49Å; I118-I129 HydrophobicContact CG2-CG1 4.04Å; R125-I129 HydrophobicContact CG-CD1 3.58Å; R125-I129 VanDerWaalsContact O-CB 3.29Å; R125-I129 WeakPolarHBondContact O-CB 3.36Å; R125-I129 WeakPolarHBondContact O-CD1 3.29Å; R125-I129 WeakPolarHBondContact O-CG1 3.31Å; R125-I129 PolarHBondContact O-N 3.5Å; I129-E131 PolarHBondContact O-N 3.16Å; I129-K132 PolarHBondContact O-N 3.5Å; I129-L133 HydrophobicContact CG2-CD1 3.5Å; I129-L133 HydrophobicContact CG2-CG 4.03Å; I129-L133 VanDerWaalsContact O-CB 3.28Å; I129-L133 WeakPolarHBondContact O-CB 3.45Å; I129-L133 WeakPolarHBondContact O-CG 3.24Å; I129-L133 PolarHBondContact O-N 3.13Å; I129-L159 HydrophobicContact CD1-CD1 4.34Å; I129-V163 HydrophobicContact CD1-CG2 4.14Å; I129-V163 HydrophobicContact CG2-CG2 4.45Å; I129-L166 HydrophobicContact CG2-CD1 3.94Å |
| 130 | L | 82.8 | Confident | 82 | Confident | 64 Ų | 64 | 60 Ų | 60 | 34% | 0.335 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 179 | 179.9 | 63.9 | 0 | 0 | 0 | 111.9 | K126 M127 I128 K134 L166 | K126-L130 WeakPolarHBondContact O-CB 3.27Å; K126-L130 PolarHBondContact O-N 2.89Å; K126-L130 VanDerWaalsContact O-N 3.11Å; M127-L130 PolarHBondContact O-N 3.48Å; I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 3.21Å; L130-K134 VanDerWaalsContact O-CG 3.29Å; L130-K134 WeakPolarHBondContact O-CG 2.97Å; L130-K134 PolarHBondContact O-N 2.9Å; L130-L166 HydrophobicContact CD1-CD2 3.84Å |
| 131 | E | 84.6 | Confident | 82.8 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 178.5 | -74.7 | -174.3 | 166.5 | 0 | 0 | 112.8 | M127 I128 I129 | M127-E131 WeakPolarHBondContact O-CG 3.01Å; M127-E131 PolarHBondContact O-N 2.86Å; I128-E131 PolarHBondContact O-N 3.29Å; I129-E131 PolarHBondContact O-N 3.16Å |
| 132 | K | 83.2 | Confident | 83.6 | Confident | 34 Ų | 34 | 58 Ų | 58 | 15% | 0.148 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.7 | -42.7 | -178.7 | -66.2 | -69.7 | 177.7 | 177.9 | 0 | 111.5 | L71 E103 V116 I118 I128 I129 K134 K135 V137 | L71-K132 HydrophobicContact CD1-CB 3.84Å; L71-K132 HydrophobicContact CD2-CB 3.72Å; L71-K132 HydrophobicContact CD2-CG 4.26Å; L71-K132 HydrophobicContact CG-CB 4.44Å; E103-K132 IonicContact OE1-NZ 3.38Å; E103-K132 PolarHBondContact OE1-NZ 3.25Å; V116-K132 HydrophobicContact CG1-CD 4.33Å; I118-K132 HydrophobicContact CD1-CG 4.37Å; I128-K132 HydrophobicContact CG2-CG 3.96Å; I128-K132 WeakPolarHBondContact O-CB 3.46Å; I128-K132 WeakPolarHBondContact O-CG 3.39Å; I128-K132 PolarHBondContact O-N 3.17Å; I129-K132 PolarHBondContact O-N 3.5Å; K132-K134 PolarHBondContact O-N 3.17Å; K132-K135 WeakPolarHBondContact O-CB 3.3Å; K132-K135 PolarHBondContact O-N 3.16Å; K132-V137 VanDerWaalsContact O-CG2 3.3Å; K132-V137 WeakPolarHBondContact O-CG2 3.45Å |
| 133 | L | 80.3 | Confident | 84.6 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -32.6 | 178 | -71.8 | 177.9 | 0 | 0 | 0 | 112.4 | L71 I129 K135 S136 V137 V140 L166 L167 L170 | L71-L133 HydrophobicContact CD1-CD2 3.71Å; L71-L133 HydrophobicContact CD1-CG 3.96Å; I129-L133 HydrophobicContact CG2-CD1 3.5Å; I129-L133 HydrophobicContact CG2-CG 4.03Å; I129-L133 VanDerWaalsContact O-CB 3.28Å; I129-L133 WeakPolarHBondContact O-CB 3.45Å; I129-L133 WeakPolarHBondContact O-CG 3.24Å; I129-L133 PolarHBondContact O-N 3.13Å; L133-K135 PolarHBondContact O-N 3.09Å; L133-S136 PolarHBondContact O-N 2.77Å; L133-V137 HydrophobicContact CD2-CB 4.07Å; L133-V137 HydrophobicContact CD2-CG1 4.26Å; L133-V137 HydrophobicContact CD2-CG2 4.09Å; L133-V140 HydrophobicContact CD2-CG2 4.05Å; L133-L166 HydrophobicContact CD1-CB 3.71Å; L133-L166 HydrophobicContact CD1-CD1 4.21Å; L133-L167 HydrophobicContact CD2-CD2 3.59Å; L133-L167 HydrophobicContact CD2-CG 4.34Å; L133-L170 HydrophobicContact CB-CD1 3.42Å; L133-L170 VanDerWaalsContact CB-CD1 3.42Å; L133-L170 HydrophobicContact CD1-CD1 4.45Å |
| 134 | K | 78.9 | Confident | 85.7 | Confident | 135 Ų | 135 | 44 Ų | 44 | 59% | 0.587 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.7 | 172.9 | -76.3 | 172.9 | -178.8 | 178.4 | 0 | 113.6 | L130 K132 S136 L170 | L130-K134 VanDerWaalsContact O-CG 3.29Å; L130-K134 WeakPolarHBondContact O-CG 2.97Å; L130-K134 PolarHBondContact O-N 2.9Å; K132-K134 PolarHBondContact O-N 3.17Å; K134-S136 PolarHBondContact O-N 3.14Å; K134-L170 HydrophobicContact CG-CD2 4.14Å |
| 135 | K | 78.5 | Confident | 86.6 | Confident | 143 Ų | 143 | 40.9 Ų | 40.9 | 62% | 0.622 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 21.3 | -178.5 | -64.4 | -175.3 | 179.4 | -176.9 | 0 | 114.1 | K132 L133 | K132-K135 WeakPolarHBondContact O-CB 3.3Å; K132-K135 PolarHBondContact O-N 3.16Å; L133-K135 PolarHBondContact O-N 3.09Å |
| 136 | S | 76.3 | Confident | 87.3 | Confident | 102 Ų | 102 | 40.5 Ų | 40.5 | 71% | 0.713 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 76.4 | -177.9 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | L133 K134 | L133-S136 PolarHBondContact O-N 2.77Å; K134-S136 PolarHBondContact O-N 3.14Å |
| 137 | V | 88.1 | Confident | 88.1 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | trans | -77.1 | 137.5 | 176.7 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | I69 L71 K132 L133 G139 V140 | I69-V137 HydrophobicContact CG2-CG2 4.21Å; I69-V137 WeakPolarHBondContact O-CG1 3.38Å; L71-V137 HydrophobicContact CD1-CG1 4.39Å; L71-V137 HydrophobicContact CD1-CG2 3.96Å; L71-V137 HydrophobicContact CD2-CG2 4.08Å; L71-V137 HydrophobicContact CG-CG1 3.93Å; L71-V137 HydrophobicContact CG-CG2 3.89Å; K132-V137 VanDerWaalsContact O-CG2 3.3Å; K132-V137 WeakPolarHBondContact O-CG2 3.45Å; L133-V137 HydrophobicContact CD2-CB 4.07Å; L133-V137 HydrophobicContact CD2-CG1 4.26Å; L133-V137 HydrophobicContact CD2-CG2 4.09Å; V137-G139 WeakPolarHBondContact CG1-O 3.47Å; V137-V140 HydrophobicContact CG1-CG2 4.13Å | ||
| 138 | S | 90.8 | Very high | 88.7 | Confident | 28 Ų | 28 | 34.3 Ų | 34.3 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -86.2 | -25.4 | 177.1 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | K68 I69 A175 K176 V278 | K68-S138 WeakPolarHBondContact CA-OG 3.24Å; K68-S138 WeakPolarHBondContact CB-OG 3.35Å; I69-S138 PolarHBondContact O-N 3.08Å; S138-A175 WeakPolarHBondContact O-CA 3.32Å; S138-K176 PolarHBondContact O-N 3.36Å; S138-K176 VanDerWaalsContact O-N 3.17Å; S138-V278 VanDerWaalsContact CB-CG1 3.46Å; S138-V278 WeakPolarHBondContact O-CG1 3.47Å |
| 139 | G | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 167.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I69 V70 L71 V137 K176 | I69-G139 PolarHBondContact O-N 2.91Å; V70-G139 VanDerWaalsContact CA-O 3.24Å; V70-G139 WeakPolarHBondContact CA-O 3.26Å; L71-G139 PolarHBondContact N-O 3.33Å; V137-G139 WeakPolarHBondContact CG1-O 3.47Å; G139-K176 CarbonylContact C-O 3.58Å; G139-K176 WeakPolarHBondContact CA-O 3.13Å |
| 140 | V | 94.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 122.7 | 177.7 | -179.6 | 0 | 0 | 0 | 0 | 109 | L71 C73 L133 V137 V163 L167 K176 V177 L178 | L71-V140 HydrophobicContact CB-CG2 4.39Å; L71-V140 CarbonylContact O-C 3.6Å; L71-V140 WeakPolarHBondContact O-CA 3.34Å; C73-V140 WeakPolarHBondContact SG-CG1 3.49Å; L133-V140 HydrophobicContact CD2-CG2 4.05Å; V137-V140 HydrophobicContact CG1-CG2 4.13Å; V140-V163 HydrophobicContact CG1-CG1 4.09Å; V140-L167 HydrophobicContact CG2-CD1 4.15Å; V140-L167 HydrophobicContact CG2-CD2 4.19Å; V140-K176 PolarHBondContact N-O 3.04Å; V140-V177 HydrophobicContact CB-CG2 4.44Å; V140-V177 CarbonylContact O-C 3.37Å; V140-V177 VanDerWaalsContact O-CA 3.27Å; V140-V177 WeakPolarHBondContact O-CA 3.49Å; V140-L178 PolarHBondContact O-N 2.86Å |
| 141 | I | 96.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 111.4 | 168.6 | -58.7 | 172.4 | 0 | 0 | 0 | 107.3 | V70 L71 L72 C73 L115 M143 L178 A180 V271 W274 L275 | V70-I141 HydrophobicContact CG1-CD1 3.96Å; V70-I141 HydrophobicContact CG1-CG1 3.89Å; L71-I141 PolarHBondContact O-N 2.84Å; L72-I141 WeakPolarHBondContact CA-O 3.33Å; L72-I141 HydrophobicContact CD1-CB 3.63Å; L72-I141 HydrophobicContact CD1-CD1 4.47Å; L72-I141 HydrophobicContact CD1-CG2 3.49Å; L72-I141 VanDerWaalsContact CD1-CG2 3.49Å; C73-I141 PolarHBondContact N-O 3.19Å; L115-I141 HydrophobicContact CD1-CD1 4.42Å; I141-M143 HydrophobicContact CG2-CG 4.18Å; I141-L178 CarbonylContact C-O 3.57Å; I141-L178 WeakPolarHBondContact CA-O 3.35Å; I141-L178 HydrophobicContact CG1-CB 4.27Å; I141-L178 HydrophobicContact CG1-CD2 4.3Å; I141-L178 HydrophobicContact CG2-CD2 4.39Å; I141-A180 HydrophobicContact CG2-CB 3.92Å; I141-V271 HydrophobicContact CD1-CG1 3.93Å; I141-W274 HydrophobicContact CD1-CE3 4.37Å; I141-W274 HydrophobicContact CD1-CZ3 4.16Å; I141-W274 HydrophobicContact CG1-CE3 4.14Å; I141-W274 HydrophobicContact CG1-CH2 4.32Å; I141-W274 HydrophobicContact CG1-CZ3 3.62Å; I141-L275 HydrophobicContact CD1-CD1 4.39Å; I141-L275 HydrophobicContact CD1-CD2 3.77Å; I141-L275 HydrophobicContact CD1-CG 4.11Å |
| 142 | F | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 106.9 | 176.4 | -168.2 | -84.6 | 0 | 0 | 0 | 109.6 | C73 I144 V156 L159 L160 L178 I179 A180 | C73-F142 CarbonylContact O-C 3.37Å; C73-F142 WeakPolarHBondContact O-CA 3.47Å; F142-I144 HydrophobicContact CD1-CD1 4.12Å; F142-I144 HydrophobicContact CD1-CG1 3.76Å; F142-I144 HydrophobicContact CE1-CD1 4.1Å; F142-I144 HydrophobicContact CE1-CG1 3.74Å; F142-V156 HydrophobicContact CE1-CG1 3.96Å; F142-V156 HydrophobicContact CZ-CG1 4.42Å; F142-V156 WeakPolarHBondContact CZ-O 3.27Å; F142-L159 HydrophobicContact CE2-CB 4.25Å; F142-L159 HydrophobicContact CE2-CD2 3.57Å; F142-L159 HydrophobicContact CE2-CG 3.76Å; F142-L159 HydrophobicContact CZ-CB 4.21Å; F142-L159 HydrophobicContact CZ-CD2 3.81Å; F142-L159 HydrophobicContact CZ-CG 4.15Å; F142-L160 HydrophobicContact CB-CD1 4.42Å; F142-L160 HydrophobicContact CD1-CD1 4.2Å; F142-L160 HydrophobicContact CD2-CD1 3.87Å; F142-L160 HydrophobicContact CE1-CB 4.11Å; F142-L160 HydrophobicContact CE1-CD1 4.44Å; F142-L160 HydrophobicContact CE2-CB 3.9Å; F142-L160 HydrophobicContact CE2-CD1 4.11Å; F142-L160 HydrophobicContact CG-CD1 3.91Å; F142-L160 HydrophobicContact CZ-CB 3.68Å; F142-L160 HydrophobicContact CZ-CD1 4.41Å; F142-L178 PolarHBondContact N-O 3.47Å; F142-I179 HydrophobicContact CB-CG1 4.43Å; F142-I179 WeakPolarHBondContact O-CA 3.41Å; F142-A180 PolarHBondContact O-N 2.99Å |
| 143 | M | 95.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.6 | -178 | -66.9 | -161.1 | 71.9 | 0 | 0 | 112.3 | L72 C73 S78 K80 A83 I141 A180 N182 | L72-M143 HydrophobicContact CD1-CG 3.62Å; L72-M143 HydrophobicContact CD1-SD 3.62Å; L72-M143 HydrophobicContact CD2-SD 4.19Å; L72-M143 HydrophobicContact CG-CG 4.38Å; L72-M143 HydrophobicContact CG-SD 4.1Å; C73-M143 PolarHBondContact O-N 2.9Å; S78-M143 WeakPolarHBondContact CB-O 3.45Å; K80-M143 WeakPolarHBondContact CA-SD 3.44Å; K80-M143 HydrophobicContact CB-SD 4.33Å; K80-M143 HydrophobicContact CG-CB 4.14Å; K80-M143 HydrophobicContact CG-CG 4.43Å; K80-M143 HydrophobicContact CG-SD 4.23Å; A83-M143 HydrophobicContact CB-CE 3.67Å; A83-M143 HydrophobicContact CB-SD 3.55Å; A83-M143 VanDerWaalsContact CB-SD 3.55Å; I141-M143 HydrophobicContact CG2-CG 4.18Å; M143-A180 WeakPolarHBondContact CA-O 3.45Å; M143-A180 HydrophobicContact CG-CB 4.35Å; M143-N182 HydrophobicContact CE-CB 3.58Å; M143-N182 VanDerWaalsContact CE-CG 3.44Å; M143-N182 WeakPolarHBondContact CE-ND2 3.4Å |
| 144 | I | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.2 | 177.9 | -58.9 | -179 | 0 | 0 | 0 | 109.2 | F142 S146 Y149 V156 I179 A180 N182 L195 L199 | F142-I144 HydrophobicContact CD1-CD1 4.12Å; F142-I144 HydrophobicContact CD1-CG1 3.76Å; F142-I144 HydrophobicContact CE1-CD1 4.1Å; F142-I144 HydrophobicContact CE1-CG1 3.74Å; I144-S146 PolarHBondContact O-N 2.79Å; I144-Y149 HydrophobicContact CG2-CD2 3.84Å; I144-V156 HydrophobicContact CD1-CG1 3.9Å; I144-V156 HydrophobicContact CG1-CG1 4.01Å; I144-V156 HydrophobicContact CG2-CG1 4.37Å; I144-I179 HydrophobicContact CD1-CG2 3.56Å; I144-I179 HydrophobicContact CG1-CG2 4.32Å; I144-A180 PolarHBondContact N-O 2.71Å; I144-N182 WeakPolarHBondContact O-CA 3.47Å; I144-N182 WeakPolarHBondContact O-CB 3.48Å; I144-N182 PolarHBondContact O-N 2.82Å; I144-L195 HydrophobicContact CG2-CD1 4.42Å; I144-L199 HydrophobicContact CD1-CD1 3.77Å |
| 145 | D | 95.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 104.5 | 162.8 | -173.7 | -17.5 | 0 | 0 | 0 | 109.4 | S147 T148 Y149 K183 | D145-S147 PolarHBondContact O-N 2.83Å; D145-S147 WeakPolarHBondContact OD1-CA 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.49Å; D145-S147 PolarHBondContact OD1-N 3.44Å; D145-S147 PolarHBondContact OD1-OG 3.21Å; D145-T148 WeakPolarHBondContact CB-OG1 3.46Å; D145-T148 PolarHBondContact OD1-N 3.24Å; D145-T148 PolarHBondContact OD2-OG1 3.28Å; D145-Y149 PolarHBondContact O-N 3.45Å; D145-Y149 VanDerWaalsContact O-N 3.09Å; D145-K183 WeakPolarHBondContact OD1-CD 3.44Å; D145-K183 WeakPolarHBondContact OD2-CD 3.15Å; D145-K183 WeakPolarHBondContact OD2-CE 3.21Å; D145-K183 IonicContact OD2-NZ 2.87Å; D145-K183 PolarHBondContact OD2-NZ 2.95Å |
| 146 | S | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.5 | -177.2 | -48.2 | 0 | 0 | 0 | 0 | 113.1 | I144 C181 N182 Q184 K190 | I144-S146 PolarHBondContact O-N 2.79Å; S146-C181 VanDerWaalsContact OG-CA 3.29Å; S146-C181 WeakPolarHBondContact OG-CA 3.21Å; S146-C181 VanDerWaalsContact OG-CB 3.31Å; S146-C181 WeakPolarHBondContact OG-CB 3.36Å; S146-C181 PolarHBondContact OG-O 3.37Å; S146-N182 WeakPolarHBondContact CB-O 3.21Å; S146-N182 PolarHBondContact N-O 3.36Å; S146-N182 PolarHBondContact OG-N 3.47Å; S146-N182 PolarHBondContact OG-O 3.3Å; S146-Q184 VanDerWaalsContact CB-NE2 3.33Å; S146-Q184 PolarHBondContact OG-NE2 2.94Å; S146-K190 VanDerWaalsContact CB-O 3.27Å; S146-K190 WeakPolarHBondContact CB-O 3.28Å; S146-K190 WeakPolarHBondContact O-CG 3.22Å; S146-K190 PolarHBondContact O-N 3.25Å |
| 147 | S | 95.1 | Very high | 94.3 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 20% | 0.203 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -28.8 | -177.6 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | D145 L186 S188 | D145-S147 PolarHBondContact O-N 2.83Å; D145-S147 WeakPolarHBondContact OD1-CA 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.49Å; D145-S147 PolarHBondContact OD1-N 3.44Å; D145-S147 PolarHBondContact OD1-OG 3.21Å; S147-L186 WeakPolarHBondContact OG-CD1 3.42Å; S147-S188 WeakPolarHBondContact CB-OG 3.21Å |
| 148 | T | 94.9 | Very high | 94.5 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 1 | -179.5 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | D145 Y150 K151 E152 | D145-T148 WeakPolarHBondContact CB-OG1 3.46Å; D145-T148 PolarHBondContact OD1-N 3.24Å; D145-T148 PolarHBondContact OD2-OG1 3.28Å; T148-Y150 VanDerWaalsContact C-N 3.33Å; T148-Y150 PolarHBondContact O-N 2.71Å; T148-K151 WeakPolarHBondContact O-CB 3.43Å; T148-K151 PolarHBondContact O-N 3.23Å; T148-E152 PolarHBondContact O-N 2.96Å; T148-E152 PolarHBondContact OG1-OE1 2.74Å; T148-E152 VanDerWaalsContact OG1-OE1 3.1Å; T148-E152 PolarHBondContact OG1-OE2 3.36Å |
| 149 | Y | 94.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -42.7 | -50 | -173.6 | 172.1 | -99.7 | 0 | 0 | 0 | 114.7 | I144 D145 K151 E152 S153 V156 L195 S198 L199 | I144-Y149 HydrophobicContact CG2-CD2 3.84Å; D145-Y149 PolarHBondContact O-N 3.45Å; D145-Y149 VanDerWaalsContact O-N 3.09Å; Y149-K151 VanDerWaalsContact C-N 3.26Å; Y149-K151 PolarHBondContact O-N 2.82Å; Y149-E152 CarbonylContact O-C 3.53Å; Y149-E152 PolarHBondContact O-N 2.87Å; Y149-E152 VanDerWaalsContact O-N 3.07Å; Y149-S153 WeakPolarHBondContact O-CA 3.14Å; Y149-S153 WeakPolarHBondContact O-CB 3.48Å; Y149-S153 PolarHBondContact O-N 3.44Å; Y149-V156 HydrophobicContact CD2-CG1 4.32Å; Y149-V156 HydrophobicContact CE2-CG1 4.1Å; Y149-L195 HydrophobicContact CD1-CD2 3.18Å; Y149-L195 HydrophobicContact CD2-CD2 4.12Å; Y149-L195 HydrophobicContact CE1-CD2 3.61Å; Y149-L195 HydrophobicContact CE2-CD2 4.48Å; Y149-L195 HydrophobicContact CG-CD1 4.47Å; Y149-L195 HydrophobicContact CG-CD2 3.45Å; Y149-L195 VanDerWaalsContact CG-CD2 3.45Å; Y149-S198 WeakPolarHBondContact CE1-OG 3.43Å; Y149-S198 PolarHBondContact OH-OG 3.2Å; Y149-L199 HydrophobicContact CE2-CD2 3.74Å; Y149-L199 HydrophobicContact CE2-CG 4.07Å; Y149-L199 PolarHBondContact OH-N 3.05Å |
| 150 | Y | 93.6 | Very high | 94.7 | Very high | 134 Ų | 134 | 37.7 Ų | 37.7 | 53% | 0.525 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.8 | -30.2 | -176.8 | -72.5 | -66.1 | 0 | 0 | 0 | 113.6 | T148 S153 K190 | T148-Y150 VanDerWaalsContact C-N 3.33Å; T148-Y150 PolarHBondContact O-N 2.71Å; Y150-S153 PolarHBondContact O-OG 2.76Å; Y150-S153 VanDerWaalsContact O-OG 3.12Å; Y150-K190 HydrophobicContact CD2-CG 4.49Å; Y150-K190 HydrophobicContact CE2-CD 4.14Å; Y150-K190 HydrophobicContact CE2-CG 4.01Å |
| 151 | K | 94.8 | Very high | 94.5 | Very high | 193 Ų | 193 | 38.2 Ų | 38.2 | 84% | 0.839 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -73 | -32.8 | 175.2 | -62.7 | -177.4 | 179 | -179.2 | 0 | 112 | T148 Y149 | T148-K151 WeakPolarHBondContact O-CB 3.43Å; T148-K151 PolarHBondContact O-N 3.23Å; Y149-K151 VanDerWaalsContact C-N 3.26Å; Y149-K151 PolarHBondContact O-N 2.82Å |
| 152 | E | 93.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -106 | 9 | -175.3 | -65.9 | 170.2 | -158 | 0 | 0 | 112.7 | T148 Y149 K154 E155 V156 | T148-E152 PolarHBondContact O-N 2.96Å; T148-E152 PolarHBondContact OG1-OE1 2.74Å; T148-E152 VanDerWaalsContact OG1-OE1 3.1Å; T148-E152 PolarHBondContact OG1-OE2 3.36Å; Y149-E152 CarbonylContact O-C 3.53Å; Y149-E152 PolarHBondContact O-N 2.87Å; Y149-E152 VanDerWaalsContact O-N 3.07Å; E152-K154 PolarHBondContact O-N 2.82Å; E152-K154 VanDerWaalsContact O-N 3.14Å; E152-E155 PolarHBondContact O-N 2.97Å; E152-E155 VanDerWaalsContact O-N 3.12Å; E152-V156 HydrophobicContact CB-CG2 4.11Å; E152-V156 WeakPolarHBondContact O-CB 3.5Å; E152-V156 VanDerWaalsContact O-CG2 3.31Å; E152-V156 WeakPolarHBondContact O-CG2 3.14Å; E152-V156 PolarHBondContact O-N 3.17Å |
| 153 | S | 93.9 | Very high | 93.9 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.2 | -38.8 | -167.8 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | Y149 Y150 S157 | Y149-S153 WeakPolarHBondContact O-CA 3.14Å; Y149-S153 WeakPolarHBondContact O-CB 3.48Å; Y149-S153 PolarHBondContact O-N 3.44Å; Y150-S153 PolarHBondContact O-OG 2.76Å; Y150-S153 VanDerWaalsContact O-OG 3.12Å; S153-S157 WeakPolarHBondContact O-CB 3.44Å; S153-S157 PolarHBondContact O-N 3.49Å; S153-S157 PolarHBondContact O-OG 3.18Å |
| 154 | K | 93.6 | Very high | 93.6 | Very high | 141 Ų | 141 | 41.2 Ų | 41.2 | 61% | 0.613 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63.2 | -55.5 | 176 | -174.5 | 179.1 | 174 | -175.9 | 0 | 112.3 | E152 V156 S157 E158 | E152-K154 PolarHBondContact O-N 2.82Å; E152-K154 VanDerWaalsContact O-N 3.14Å; K154-V156 VanDerWaalsContact C-N 3.32Å; K154-V156 PolarHBondContact O-N 2.75Å; K154-S157 PolarHBondContact O-N 2.98Å; K154-E158 WeakPolarHBondContact CE-OE1 3.43Å; K154-E158 HydrophobicContact CG-CG 4.47Å; K154-E158 WeakPolarHBondContact CG-OE1 3.29Å; K154-E158 IonicContact NZ-OE1 3.03Å; K154-E158 WeakPolarHBondContact O-CB 3.44Å; K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 2.99Å |
| 155 | E | 93.2 | Very high | 93.2 | Very high | 80 Ų | 80 | 41.9 Ų | 41.9 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -40 | -178.5 | -166.5 | -167.5 | 158.7 | 0 | 0 | 111.5 | V75 R125 E152 L159 | V75-E155 HydrophobicContact CG1-CB 4.24Å; V75-E155 HydrophobicContact CG1-CG 3.86Å; R125-E155 IonicContact CZ-OE1 3.05Å; R125-E155 IonicContact NH1-OE1 2.96Å; R125-E155 IonicContact NH2-OE1 3.97Å; R125-E155 PolarHBondContact NH2-OE1 3.16Å; E152-E155 PolarHBondContact O-N 2.97Å; E152-E155 VanDerWaalsContact O-N 3.12Å; E155-L159 WeakPolarHBondContact O-CB 3.16Å; E155-L159 PolarHBondContact O-N 3.04Å |
| 156 | V | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | V75 F142 I144 Y149 E152 K154 L160 L199 | V75-V156 HydrophobicContact CB-CG2 4.47Å; V75-V156 HydrophobicContact CG1-CB 4.46Å; V75-V156 HydrophobicContact CG1-CG2 3.78Å; V75-V156 HydrophobicContact CG2-CG2 3.83Å; F142-V156 HydrophobicContact CE1-CG1 3.96Å; F142-V156 HydrophobicContact CZ-CG1 4.42Å; F142-V156 WeakPolarHBondContact CZ-O 3.27Å; I144-V156 HydrophobicContact CD1-CG1 3.9Å; I144-V156 HydrophobicContact CG1-CG1 4.01Å; I144-V156 HydrophobicContact CG2-CG1 4.37Å; Y149-V156 HydrophobicContact CD2-CG1 4.32Å; Y149-V156 HydrophobicContact CE2-CG1 4.1Å; E152-V156 HydrophobicContact CB-CG2 4.11Å; E152-V156 WeakPolarHBondContact O-CB 3.5Å; E152-V156 VanDerWaalsContact O-CG2 3.31Å; E152-V156 WeakPolarHBondContact O-CG2 3.14Å; E152-V156 PolarHBondContact O-N 3.17Å; K154-V156 VanDerWaalsContact C-N 3.32Å; K154-V156 PolarHBondContact O-N 2.75Å; V156-L160 WeakPolarHBondContact O-CB 3.48Å; V156-L160 PolarHBondContact O-N 3.41Å; V156-L199 HydrophobicContact CG1-CD2 4.2Å |
| 157 | S | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.2 | -38.9 | -177.4 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | S153 K154 L160 F161 E202 L203 | S153-S157 WeakPolarHBondContact O-CB 3.44Å; S153-S157 PolarHBondContact O-N 3.49Å; S153-S157 PolarHBondContact O-OG 3.18Å; K154-S157 PolarHBondContact O-N 2.98Å; S157-L160 PolarHBondContact O-N 2.89Å; S157-F161 VanDerWaalsContact O-CB 3.27Å; S157-F161 WeakPolarHBondContact O-CB 3.29Å; S157-F161 PolarHBondContact O-N 3.09Å; S157-E202 VanDerWaalsContact OG-CB 3.3Å; S157-E202 WeakPolarHBondContact OG-CB 3.36Å; S157-L203 WeakPolarHBondContact O-CD2 3.31Å |
| 158 | E | 92.4 | Very high | 91.9 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 35% | 0.35 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.4 | -48 | 174.8 | -76 | 173.2 | 174.4 | 0 | 0 | 111.2 | K154 L160 F161 E162 L206 | K154-E158 WeakPolarHBondContact CE-OE1 3.43Å; K154-E158 HydrophobicContact CG-CG 4.47Å; K154-E158 WeakPolarHBondContact CG-OE1 3.29Å; K154-E158 IonicContact NZ-OE1 3.03Å; K154-E158 WeakPolarHBondContact O-CB 3.44Å; K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 2.99Å; E158-L160 PolarHBondContact O-N 2.79Å; E158-F161 WeakPolarHBondContact O-CB 3.45Å; E158-F161 PolarHBondContact O-N 2.58Å; E158-E162 WeakPolarHBondContact O-CG 3.47Å; E158-E162 PolarHBondContact O-N 3.17Å; E158-L206 HydrophobicContact CG-CD1 4.1Å; E158-L206 HydrophobicContact CG-CD2 3.91Å |
| 159 | L | 92.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 177 | -178.5 | 68.2 | 0 | 0 | 0 | 112 | R125 I129 F142 E155 F161 E162 V163 | R125-L159 HydrophobicContact CG-CD1 3.86Å; R125-L159 VanDerWaalsContact NH1-CD2 3.28Å; I129-L159 HydrophobicContact CD1-CD1 4.34Å; F142-L159 HydrophobicContact CE2-CB 4.25Å; F142-L159 HydrophobicContact CE2-CD2 3.57Å; F142-L159 HydrophobicContact CE2-CG 3.76Å; F142-L159 HydrophobicContact CZ-CB 4.21Å; F142-L159 HydrophobicContact CZ-CD2 3.81Å; F142-L159 HydrophobicContact CZ-CG 4.15Å; E155-L159 WeakPolarHBondContact O-CB 3.16Å; E155-L159 PolarHBondContact O-N 3.04Å; L159-F161 VanDerWaalsContact C-N 3.31Å; L159-F161 PolarHBondContact O-N 2.95Å; L159-E162 PolarHBondContact O-N 3Å; L159-V163 WeakPolarHBondContact O-CG2 3.44Å; L159-V163 PolarHBondContact O-N 3.44Å |
| 160 | L | 94.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 178.8 | -179.4 | 59 | 0 | 0 | 0 | 111 | F142 V156 S157 E158 V163 L164 I179 L199 L203 F241 | F142-L160 HydrophobicContact CB-CD1 4.42Å; F142-L160 HydrophobicContact CD1-CD1 4.2Å; F142-L160 HydrophobicContact CD2-CD1 3.87Å; F142-L160 HydrophobicContact CE1-CB 4.11Å; F142-L160 HydrophobicContact CE1-CD1 4.44Å; F142-L160 HydrophobicContact CE2-CB 3.9Å; F142-L160 HydrophobicContact CE2-CD1 4.11Å; F142-L160 HydrophobicContact CG-CD1 3.91Å; F142-L160 HydrophobicContact CZ-CB 3.68Å; F142-L160 HydrophobicContact CZ-CD1 4.41Å; V156-L160 WeakPolarHBondContact O-CB 3.48Å; V156-L160 PolarHBondContact O-N 3.41Å; S157-L160 PolarHBondContact O-N 2.89Å; E158-L160 PolarHBondContact O-N 2.79Å; L160-V163 PolarHBondContact O-N 2.91Å; L160-L164 HydrophobicContact CD1-CD1 4.1Å; L160-L164 HydrophobicContact CD1-CG 4.12Å; L160-L164 HydrophobicContact CG-CD1 4Å; L160-L164 HydrophobicContact CG-CG 4.44Å; L160-L164 WeakPolarHBondContact O-CB 3.36Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.84Å; L160-I179 HydrophobicContact CD1-CD1 4.39Å; L160-I179 HydrophobicContact CD2-CD1 3.93Å; L160-L199 HydrophobicContact CD2-CD1 4.37Å; L160-L199 HydrophobicContact CD2-CD2 4.1Å; L160-L203 HydrophobicContact CD2-CD1 4.01Å; L160-L203 HydrophobicContact CG-CD1 4.44Å; L160-F241 HydrophobicContact CD2-CE1 4.22Å; L160-F241 HydrophobicContact CD2-CZ 4.07Å |
| 161 | F | 92 | Very high | 89.8 | Confident | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -49.1 | 175.2 | -174.1 | -90.7 | 0 | 0 | 0 | 111.3 | S157 E158 L159 V163 L164 C165 L203 L206 N207 Q210 L231 | S157-F161 VanDerWaalsContact O-CB 3.27Å; S157-F161 WeakPolarHBondContact O-CB 3.29Å; S157-F161 PolarHBondContact O-N 3.09Å; E158-F161 WeakPolarHBondContact O-CB 3.45Å; E158-F161 PolarHBondContact O-N 2.58Å; L159-F161 VanDerWaalsContact C-N 3.31Å; L159-F161 PolarHBondContact O-N 2.95Å; F161-V163 PolarHBondContact O-N 3.23Å; F161-L164 PolarHBondContact O-N 3.14Å; F161-C165 VanDerWaalsContact CE1-SG 3.54Å; F161-C165 WeakPolarHBondContact O-CB 3.27Å; F161-C165 PolarHBondContact O-N 2.78Å; F161-C165 PolarHBondContact O-SG 3.32Å; F161-L203 HydrophobicContact CB-CD2 3.63Å; F161-L203 HydrophobicContact CD2-CD2 3.97Å; F161-L203 HydrophobicContact CG-CD2 4.31Å; F161-L206 HydrophobicContact CB-CD1 4.03Å; F161-L206 HydrophobicContact CD2-CB 4Å; F161-L206 HydrophobicContact CE2-CB 4.33Å; F161-L206 HydrophobicContact CG-CB 4.3Å; F161-L206 HydrophobicContact CG-CD1 4.44Å; F161-N207 HydrophobicContact CE2-CB 4.04Å; F161-Q210 HydrophobicContact CE1-CG 3.77Å; F161-Q210 HydrophobicContact CZ-CB 4.35Å; F161-Q210 HydrophobicContact CZ-CG 3.87Å; F161-L231 HydrophobicContact CD2-CD1 4.13Å; F161-L231 HydrophobicContact CE2-CB 3.82Å; F161-L231 HydrophobicContact CE2-CD1 4.2Å; F161-L231 HydrophobicContact CE2-CG 4.46Å; F161-L231 HydrophobicContact CZ-CB 4.29Å |
| 162 | E | 88.9 | Confident | 88.8 | Confident | 67 Ų | 67 | 42.8 Ų | 42.8 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 176.9 | -73.2 | -179.2 | 177.9 | 0 | 0 | 111.8 | K126 E158 L159 L164 C165 L166 | K126-E162 WeakPolarHBondContact CE-OE1 3.4Å; K126-E162 WeakPolarHBondContact CE-OE2 3.47Å; K126-E162 IonicContact NZ-OE1 3.78Å; K126-E162 PolarHBondContact NZ-OE1 2.8Å; K126-E162 IonicContact NZ-OE2 2.91Å; E158-E162 WeakPolarHBondContact O-CG 3.47Å; E158-E162 PolarHBondContact O-N 3.17Å; L159-E162 PolarHBondContact O-N 3Å; E162-L164 PolarHBondContact O-N 3.06Å; E162-C165 PolarHBondContact O-N 2.87Å; E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 VanDerWaalsContact O-CG 3.3Å; E162-L166 WeakPolarHBondContact O-CG 3.31Å; E162-L166 PolarHBondContact O-N 3.49Å |
| 163 | V | 90.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 179.6 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | I129 V140 L159 L160 F161 L166 L167 | I129-V163 HydrophobicContact CD1-CG2 4.14Å; I129-V163 HydrophobicContact CG2-CG2 4.45Å; V140-V163 HydrophobicContact CG1-CG1 4.09Å; L159-V163 WeakPolarHBondContact O-CG2 3.44Å; L159-V163 PolarHBondContact O-N 3.44Å; L160-V163 PolarHBondContact O-N 2.91Å; F161-V163 PolarHBondContact O-N 3.23Å; V163-L166 PolarHBondContact O-N 2.9Å; V163-L167 HydrophobicContact CG1-CD1 4.07Å; V163-L167 WeakPolarHBondContact O-CG 3.48Å; V163-L167 PolarHBondContact O-N 3.32Å |
| 164 | L | 90.9 | Very high | 87 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.7 | -39.8 | -179.7 | -69.4 | 173.9 | 0 | 0 | 0 | 112 | L160 F161 E162 L167 K168 V177 L203 L231 F241 L244 V248 | L160-L164 HydrophobicContact CD1-CD1 4.1Å; L160-L164 HydrophobicContact CD1-CG 4.12Å; L160-L164 HydrophobicContact CG-CD1 4Å; L160-L164 HydrophobicContact CG-CG 4.44Å; L160-L164 WeakPolarHBondContact O-CB 3.36Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.84Å; F161-L164 PolarHBondContact O-N 3.14Å; E162-L164 PolarHBondContact O-N 3.06Å; L164-L167 PolarHBondContact O-N 2.89Å; L164-K168 WeakPolarHBondContact O-CB 3.29Å; L164-K168 PolarHBondContact O-N 3Å; L164-V177 HydrophobicContact CD2-CG2 4.2Å; L164-L203 HydrophobicContact CD1-CD1 4.44Å; L164-L231 HydrophobicContact CB-CD1 3.4Å; L164-L231 HydrophobicContact CD1-CD1 4.21Å; L164-L231 HydrophobicContact CG-CD1 4.46Å; L164-F241 HydrophobicContact CD1-CE1 4.2Å; L164-L244 HydrophobicContact CD1-CD1 4.2Å; L164-L244 HydrophobicContact CD2-CD1 4.37Å; L164-V248 HydrophobicContact CD2-CG2 4.48Å |
| 165 | C | 87.1 | Confident | 86.8 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 9% | 0.088 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 173.2 | -77.7 | 0 | 0 | 0 | 0 | 111.7 | F161 E162 K168 S169 | F161-C165 VanDerWaalsContact CE1-SG 3.54Å; F161-C165 WeakPolarHBondContact O-CB 3.27Å; F161-C165 PolarHBondContact O-N 2.78Å; F161-C165 PolarHBondContact O-SG 3.32Å; E162-C165 PolarHBondContact O-N 2.87Å; C165-K168 PolarHBondContact O-N 2.64Å; C165-S169 VanDerWaalsContact O-CB 3.29Å; C165-S169 WeakPolarHBondContact O-CB 3.28Å; C165-S169 PolarHBondContact O-N 3.2Å |
| 166 | L | 86.5 | Confident | 86.9 | Confident | 46 Ų | 46 | 44 Ų | 44 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.7 | -73.7 | 173.9 | 0 | 0 | 0 | 112.1 | I129 L130 L133 E162 V163 K168 S169 L170 | I129-L166 HydrophobicContact CG2-CD1 3.94Å; L130-L166 HydrophobicContact CD1-CD2 3.84Å; L133-L166 HydrophobicContact CD1-CB 3.71Å; L133-L166 HydrophobicContact CD1-CD1 4.21Å; E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 VanDerWaalsContact O-CG 3.3Å; E162-L166 WeakPolarHBondContact O-CG 3.31Å; E162-L166 PolarHBondContact O-N 3.49Å; V163-L166 PolarHBondContact O-N 2.9Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 2.89Å; L166-S169 PolarHBondContact O-N 2.96Å; L166-L170 WeakPolarHBondContact O-CB 3.43Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 2.92Å |
| 167 | L | 87.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 176.2 | -75 | 169.5 | 0 | 0 | 0 | 112 | L133 V140 V163 L164 A172 A175 V177 I246 | L133-L167 HydrophobicContact CD2-CD2 3.59Å; L133-L167 HydrophobicContact CD2-CG 4.34Å; V140-L167 HydrophobicContact CG2-CD1 4.15Å; V140-L167 HydrophobicContact CG2-CD2 4.19Å; V163-L167 HydrophobicContact CG1-CD1 4.07Å; V163-L167 WeakPolarHBondContact O-CG 3.48Å; V163-L167 PolarHBondContact O-N 3.32Å; L164-L167 PolarHBondContact O-N 2.89Å; L167-A172 HydrophobicContact CD2-CB 4.08Å; L167-A172 PolarHBondContact O-N 2.97Å; L167-A175 HydrophobicContact CD2-CB 3.93Å; L167-V177 HydrophobicContact CD1-CG2 3.45Å; L167-V177 VanDerWaalsContact CD1-CG2 3.45Å; L167-I246 HydrophobicContact CB-CD1 3.66Å |
| 168 | K | 84.5 | Confident | 87 | Confident | 72 Ų | 72 | 43.9 Ų | 43.9 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.5 | -50.2 | 175 | -176.3 | -178 | 176 | -176.9 | 0 | 111.3 | L164 C165 L166 L170 K171 R230 L231 | L164-K168 WeakPolarHBondContact O-CB 3.29Å; L164-K168 PolarHBondContact O-N 3Å; C165-K168 PolarHBondContact O-N 2.64Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 2.89Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.75Å; K168-K171 PolarHBondContact O-N 3.27Å; K168-K171 VanDerWaalsContact O-N 3.08Å; K168-R230 WeakPolarHBondContact CD-O 3.2Å; K168-R230 PolarHBondContact NZ-O 3.32Å; K168-L231 PolarHBondContact NZ-O 2.72Å |
| 169 | S | 81.9 | Confident | 87.2 | Confident | 45 Ų | 45 | 40.3 Ų | 40.3 | 32% | 0.315 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.6 | -42 | -178.5 | 180 | 0 | 0 | 0 | 0 | 112.5 | C165 L166 K171 | C165-S169 VanDerWaalsContact O-CB 3.29Å; C165-S169 WeakPolarHBondContact O-CB 3.28Å; C165-S169 PolarHBondContact O-N 3.2Å; L166-S169 PolarHBondContact O-N 2.96Å; S169-K171 PolarHBondContact O-N 3.38Å; S169-K171 VanDerWaalsContact O-N 3.16Å |
| 170 | L | 81 | Confident | 87.4 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 33% | 0.325 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 3.6 | 179.2 | -66.2 | 171.1 | 0 | 0 | 0 | 113.7 | L133 K134 L166 K168 A172 | L133-L170 HydrophobicContact CB-CD1 3.42Å; L133-L170 VanDerWaalsContact CB-CD1 3.42Å; L133-L170 HydrophobicContact CD1-CD1 4.45Å; K134-L170 HydrophobicContact CG-CD2 4.14Å; L166-L170 WeakPolarHBondContact O-CB 3.43Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 2.92Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.75Å; L170-A172 PolarHBondContact O-N 3.33Å; L170-A172 VanDerWaalsContact O-N 3.14Å |
| 171 | K | 76.9 | Confident | 87.5 | Confident | 172 Ų | 172 | 40 Ų | 40 | 75% | 0.748 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 36.5 | -176.1 | -60.4 | 179.5 | -179.9 | 175.7 | 0 | 112 | K168 S169 K173 | K168-K171 PolarHBondContact O-N 3.27Å; K168-K171 VanDerWaalsContact O-N 3.08Å; S169-K171 PolarHBondContact O-N 3.38Å; S169-K171 VanDerWaalsContact O-N 3.16Å; K171-K173 PolarHBondContact O-N 3.41Å |
| 172 | A | 74.1 | Confident | 87.6 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | trans | -75.2 | 55.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L167 L170 S174 A175 | L167-A172 HydrophobicContact CD2-CB 4.08Å; L167-A172 PolarHBondContact O-N 2.97Å; L170-A172 PolarHBondContact O-N 3.33Å; L170-A172 VanDerWaalsContact O-N 3.14Å; A172-S174 PolarHBondContact O-N 3.44Å; A172-S174 VanDerWaalsContact O-N 3.09Å; A172-A175 HydrophobicContact CB-CB 3.94Å; A172-A175 VanDerWaalsContact O-CB 3.29Å; A172-A175 WeakPolarHBondContact O-CB 3.1Å; A172-A175 PolarHBondContact O-N 2.87Å | ||
| 173 | K | 68.6 | Low | 87.8 | Confident | 159 Ų | 159 | 38.8 Ų | 38.8 | 69% | 0.691 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.3 | -172.7 | -68.9 | -173.7 | 175.6 | -173.7 | 0 | 113.5 | K171 | K171-K173 PolarHBondContact O-N 3.41Š|
| 174 | S | 81.3 | Confident | 87.9 | Confident | 101 Ų | 101 | 41.2 Ų | 41.2 | 71% | 0.706 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10.2 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | A172 K176 | A172-S174 PolarHBondContact O-N 3.44Å; A172-S174 VanDerWaalsContact O-N 3.09Å; S174-K176 PolarHBondContact O-N 2.95Å |
| 175 | A | 89.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | trans | -73.9 | 129.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S138 L167 A172 | S138-A175 WeakPolarHBondContact O-CA 3.32Å; L167-A175 HydrophobicContact CD2-CB 3.93Å; A172-A175 HydrophobicContact CB-CB 3.94Å; A172-A175 VanDerWaalsContact O-CB 3.29Å; A172-A175 WeakPolarHBondContact O-CB 3.1Å; A172-A175 PolarHBondContact O-N 2.87Å | ||
| 176 | K | 93.8 | Very high | 88 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 146.9 | 172 | -59 | -178 | 180 | 175.6 | 0 | 109.9 | S138 G139 V140 S174 H247 W274 A277 V278 | S138-K176 PolarHBondContact O-N 3.36Å; S138-K176 VanDerWaalsContact O-N 3.17Å; G139-K176 CarbonylContact C-O 3.58Å; G139-K176 WeakPolarHBondContact CA-O 3.13Å; V140-K176 PolarHBondContact N-O 3.04Å; S174-K176 PolarHBondContact O-N 2.95Å; K176-H247 HydrophobicContact CG-CB 4.36Å; K176-W274 HydrophobicContact CB-CH2 4.16Å; K176-W274 HydrophobicContact CB-CZ2 3.44Å; K176-W274 VanDerWaalsContact CB-CZ2 3.44Å; K176-W274 WeakPolarHBondContact O-CH2 3.37Å; K176-A277 PolarHBondContact NZ-O 3.42Å; K176-V278 HydrophobicContact CB-CG2 4.4Å; K176-V278 HydrophobicContact CD-CG2 4.28Å |
| 177 | V | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.1 | 175 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | V140 L164 L167 I246 H247 V248 D249 | V140-V177 HydrophobicContact CB-CG2 4.44Å; V140-V177 CarbonylContact O-C 3.37Å; V140-V177 VanDerWaalsContact O-CA 3.27Å; V140-V177 WeakPolarHBondContact O-CA 3.49Å; L164-V177 HydrophobicContact CD2-CG2 4.2Å; L167-V177 HydrophobicContact CD1-CG2 3.45Å; L167-V177 VanDerWaalsContact CD1-CG2 3.45Å; V177-I246 HydrophobicContact CG2-CG2 3.72Å; V177-H247 PolarHBondContact N-O 3.44Å; V177-V248 HydrophobicContact CB-CG1 4.36Å; V177-V248 HydrophobicContact CB-CG2 4.21Å; V177-V248 HydrophobicContact CG1-CG1 4.31Å; V177-V248 CarbonylContact O-C 3.4Å; V177-V248 WeakPolarHBondContact O-CA 3.46Å; V177-D249 PolarHBondContact O-N 2.97Å |
| 178 | L | 97 | Very high | 88.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118 | 171.7 | 177.5 | 63.4 | 0 | 0 | 0 | 109.2 | V140 I141 F142 A180 D249 C251 F270 V271 W274 | V140-L178 PolarHBondContact O-N 2.86Å; I141-L178 CarbonylContact C-O 3.57Å; I141-L178 WeakPolarHBondContact CA-O 3.35Å; I141-L178 HydrophobicContact CG1-CB 4.27Å; I141-L178 HydrophobicContact CG1-CD2 4.3Å; I141-L178 HydrophobicContact CG2-CD2 4.39Å; F142-L178 PolarHBondContact N-O 3.47Å; L178-A180 PolarHBondContact O-N 2.96Å; L178-D249 CarbonylContact C-O 3.59Å; L178-D249 WeakPolarHBondContact CA-O 3.04Å; L178-D249 HydrophobicContact CD1-CB 3.77Å; L178-C251 HydrophobicContact CD1-CB 4.11Å; L178-F270 HydrophobicContact CD1-CD1 4.32Å; L178-F270 HydrophobicContact CD1-CE1 3.75Å; L178-V271 HydrophobicContact CD2-CG1 4.4Å; L178-V271 HydrophobicContact CD2-CG2 4.27Å; L178-W274 HydrophobicContact CB-CD2 3.8Å; L178-W274 HydrophobicContact CB-CE3 4.06Å; L178-W274 HydrophobicContact CB-CG 4.37Å; L178-W274 HydrophobicContact CB-CH2 3.94Å; L178-W274 HydrophobicContact CB-CZ2 3.66Å; L178-W274 HydrophobicContact CB-CZ3 4.13Å; L178-W274 HydrophobicContact CD1-CG 4.35Å; L178-W274 HydrophobicContact CD2-CB 4.12Å; L178-W274 HydrophobicContact CD2-CD2 3.88Å; L178-W274 HydrophobicContact CD2-CE3 4Å; L178-W274 HydrophobicContact CD2-CG 3.92Å; L178-W274 HydrophobicContact CG-CD2 4.32Å; L178-W274 HydrophobicContact CG-CG 4.46Å |
| 179 | I | 97.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 104.9 | 169.3 | -65.1 | 168 | 0 | 0 | 0 | 107.7 | F142 I144 L160 L199 F241 V248 D249 F250 C251 | F142-I179 HydrophobicContact CB-CG1 4.43Å; F142-I179 WeakPolarHBondContact O-CA 3.41Å; I144-I179 HydrophobicContact CD1-CG2 3.56Å; I144-I179 HydrophobicContact CG1-CG2 4.32Å; L160-I179 HydrophobicContact CD1-CD1 4.39Å; L160-I179 HydrophobicContact CD2-CD1 3.93Å; I179-L199 HydrophobicContact CG2-CD1 4.33Å; I179-F241 HydrophobicContact CD1-CE1 3.81Å; I179-F241 HydrophobicContact CD1-CZ 3.88Å; I179-V248 HydrophobicContact CD1-CG1 3.69Å; I179-V248 HydrophobicContact CG1-CG1 4.16Å; I179-D249 PolarHBondContact N-O 2.94Å; I179-F250 HydrophobicContact CB-CD1 3.75Å; I179-F250 HydrophobicContact CB-CE1 3.74Å; I179-F250 HydrophobicContact CB-CG 4.21Å; I179-F250 HydrophobicContact CB-CZ 4.18Å; I179-F250 HydrophobicContact CD1-CD1 4.39Å; I179-F250 HydrophobicContact CD1-CE1 3.6Å; I179-F250 HydrophobicContact CD1-CE2 3.76Å; I179-F250 HydrophobicContact CD1-CZ 3.23Å; I179-F250 HydrophobicContact CG1-CE1 4.26Å; I179-F250 HydrophobicContact CG1-CZ 4.25Å; I179-F250 HydrophobicContact CG2-CD1 3.72Å; I179-F250 HydrophobicContact CG2-CE1 3.57Å; I179-F250 HydrophobicContact CG2-CZ 4.38Å; I179-F250 WeakPolarHBondContact O-CA 3.35Å; I179-C251 PolarHBondContact O-N 3.4Å |
| 180 | A | 96.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 100.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110 | I141 F142 M143 I144 L178 N182 | I141-A180 HydrophobicContact CG2-CB 3.92Å; F142-A180 PolarHBondContact O-N 2.99Å; M143-A180 WeakPolarHBondContact CA-O 3.45Å; M143-A180 HydrophobicContact CG-CB 4.35Å; I144-A180 PolarHBondContact N-O 2.71Å; L178-A180 PolarHBondContact O-N 2.96Å; A180-N182 PolarHBondContact O-N 2.86Å |
| 181 | C | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 90.2 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 109 | S146 Q184 L195 C251 C253 | S146-C181 VanDerWaalsContact OG-CA 3.29Å; S146-C181 WeakPolarHBondContact OG-CA 3.21Å; S146-C181 VanDerWaalsContact OG-CB 3.31Å; S146-C181 WeakPolarHBondContact OG-CB 3.36Å; S146-C181 PolarHBondContact OG-O 3.37Å; C181-Q184 WeakPolarHBondContact O-CG 3.32Å; C181-Q184 PolarHBondContact O-NE2 2.72Å; C181-L195 HydrophobicContact CB-CD1 4.2Å; C181-C251 WeakPolarHBondContact CB-O 3.23Å; C181-C251 PolarHBondContact N-O 2.89Å; C181-C253 PolarHBondContact O-N 3.29Å |
| 182 | N | 95 | Very high | 90.9 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 170.3 | -173.3 | -167.7 | 24.8 | 0 | 0 | 0 | 112.5 | S78 M143 I144 S146 A180 C253 S254 S255 | S78-N182 PolarHBondContact O-ND2 3.23Å; M143-N182 HydrophobicContact CE-CB 3.58Å; M143-N182 VanDerWaalsContact CE-CG 3.44Å; M143-N182 WeakPolarHBondContact CE-ND2 3.4Å; I144-N182 WeakPolarHBondContact O-CA 3.47Å; I144-N182 WeakPolarHBondContact O-CB 3.48Å; I144-N182 PolarHBondContact O-N 2.82Å; S146-N182 WeakPolarHBondContact CB-O 3.21Å; S146-N182 PolarHBondContact N-O 3.36Å; S146-N182 PolarHBondContact OG-N 3.47Å; S146-N182 PolarHBondContact OG-O 3.3Å; A180-N182 PolarHBondContact O-N 2.86Å; N182-C253 CarbonylContact C-O 3.59Å; N182-C253 VanDerWaalsContact CA-O 3.26Å; N182-C253 WeakPolarHBondContact CA-O 3.44Å; N182-C253 PolarHBondContact OD1-O 3.24Å; N182-S254 WeakPolarHBondContact OD1-CA 3.39Å; N182-S255 PolarHBondContact ND2-OG 2.91Å; N182-S255 VanDerWaalsContact ND2-OG 3.17Å; N182-S255 PolarHBondContact OD1-N 3.32Å; N182-S255 PolarHBondContact OD1-OG 2.68Å; N182-S255 VanDerWaalsContact OD1-OG 3.14Å |
| 183 | K | 93.5 | Very high | 91.9 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | trans | 66.2 | 31.9 | 179 | -46.1 | -166.2 | -166 | 174.8 | 0 | 113.8 | S77 D145 D185 L186 A189 C253 | S77-K183 WeakPolarHBondContact O-CE 3.48Å; S77-K183 PolarHBondContact O-NZ 2.87Å; D145-K183 WeakPolarHBondContact OD1-CD 3.44Å; D145-K183 WeakPolarHBondContact OD2-CD 3.15Å; D145-K183 WeakPolarHBondContact OD2-CE 3.21Å; D145-K183 IonicContact OD2-NZ 2.87Å; D145-K183 PolarHBondContact OD2-NZ 2.95Å; K183-D185 VanDerWaalsContact C-OD1 3.28Å; K183-D185 VanDerWaalsContact CA-OD1 3.26Å; K183-D185 WeakPolarHBondContact CA-OD1 3.26Å; K183-D185 PolarHBondContact O-N 3.05Å; K183-D185 VanDerWaalsContact O-N 3.09Å; K183-L186 HydrophobicContact CB-CD1 3.95Å; K183-L186 HydrophobicContact CB-CG 4.3Å; K183-L186 HydrophobicContact CD-CD1 4.14Å; K183-L186 WeakPolarHBondContact O-CB 3.27Å; K183-L186 PolarHBondContact O-N 3.26Å; K183-A189 WeakPolarHBondContact O-CB 3.39Å; K183-C253 PolarHBondContact N-O 2.88Å; K183-C253 VanDerWaalsContact N-O 3.16Å | ||
| 184 | Q | 91.9 | Very high | 93.1 | Very high | 53 Ų | 53 | 46.8 Ų | 46.8 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -7.2 | 175.4 | -62.9 | -65.4 | -31.3 | 0 | 0 | 113.8 | S146 C181 K190 D252 C253 | S146-Q184 VanDerWaalsContact CB-NE2 3.33Å; S146-Q184 PolarHBondContact OG-NE2 2.94Å; C181-Q184 WeakPolarHBondContact O-CG 3.32Å; C181-Q184 PolarHBondContact O-NE2 2.72Å; Q184-K190 PolarHBondContact NE2-O 2.97Å; Q184-D252 HydrophobicContact CG-CB 3.96Å; Q184-D252 PolarHBondContact NE2-OD1 3.14Å; Q184-C253 WeakPolarHBondContact CB-O 3.42Å; Q184-C253 VanDerWaalsContact CG-O 3.24Å; Q184-C253 WeakPolarHBondContact CG-O 3.3Å; Q184-C253 PolarHBondContact N-O 3.06Å; Q184-C253 VanDerWaalsContact N-O 3.17Å |
| 185 | D | 89.6 | Confident | 93.8 | Very high | 76 Ų | 76 | 42 Ų | 42 | 41% | 0.406 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -17.6 | 169 | 54.2 | -66.4 | 0 | 0 | 0 | 113.3 | K183 S254 | K183-D185 VanDerWaalsContact C-OD1 3.28Å; K183-D185 VanDerWaalsContact CA-OD1 3.26Å; K183-D185 WeakPolarHBondContact CA-OD1 3.26Å; K183-D185 PolarHBondContact O-N 3.05Å; K183-D185 VanDerWaalsContact O-N 3.09Å; D185-S254 VanDerWaalsContact CG-OG 3.24Å; D185-S254 WeakPolarHBondContact OD1-CB 3.21Å; D185-S254 PolarHBondContact OD1-OG 2.96Å |
| 186 | L | 91.1 | Very high | 94.1 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 37% | 0.366 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -88.6 | 136.3 | 179.7 | -58.5 | 178.6 | 0 | 0 | 0 | 111.3 | S147 K183 S188 A189 | S147-L186 WeakPolarHBondContact OG-CD1 3.42Å; K183-L186 HydrophobicContact CB-CD1 3.95Å; K183-L186 HydrophobicContact CB-CG 4.3Å; K183-L186 HydrophobicContact CD-CD1 4.14Å; K183-L186 WeakPolarHBondContact O-CB 3.27Å; K183-L186 PolarHBondContact O-N 3.26Å; L186-S188 PolarHBondContact O-N 3.06Å; L186-S188 VanDerWaalsContact O-N 3.13Å; L186-A189 WeakPolarHBondContact O-CB 3.37Å; L186-A189 PolarHBondContact O-N 2.85Å |
| 187 | L | 90.8 | Very high | 94.2 | Very high | 192 Ų | 192 | 44.7 Ų | 44.7 | 100% | 1.005 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.5 | 178.1 | -66 | 174.9 | 0 | 0 | 0 | 113.7 | A189 | L187-A189 VanDerWaalsContact C-N 3.3Š|
| 188 | S | 92.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.9 | 177.4 | 48.9 | 0 | 0 | 0 | 0 | 113.7 | S147 L186 | S147-S188 WeakPolarHBondContact CB-OG 3.21Å; L186-S188 PolarHBondContact O-N 3.06Å; L186-S188 VanDerWaalsContact O-N 3.13Å |
| 189 | A | 93.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -65 | 136.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K183 L186 L187 | K183-A189 WeakPolarHBondContact O-CB 3.39Å; L186-A189 WeakPolarHBondContact O-CB 3.37Å; L186-A189 PolarHBondContact O-N 2.85Å; L187-A189 VanDerWaalsContact C-N 3.3Å |
| 190 | K | 94.7 | Very high | 94 | Very high | 83 Ų | 83 | 47.5 Ų | 47.5 | 36% | 0.361 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 138 | 175.1 | -56.7 | -56.4 | 171.2 | -174.8 | 0 | 110.1 | S146 Y150 Q184 L195 | S146-K190 VanDerWaalsContact CB-O 3.27Å; S146-K190 WeakPolarHBondContact CB-O 3.28Å; S146-K190 WeakPolarHBondContact O-CG 3.22Å; S146-K190 PolarHBondContact O-N 3.25Å; Y150-K190 HydrophobicContact CD2-CG 4.49Å; Y150-K190 HydrophobicContact CE2-CD 4.14Å; Y150-K190 HydrophobicContact CE2-CG 4.01Å; Q184-K190 PolarHBondContact NE2-O 2.97Å; K190-L195 HydrophobicContact CB-CD1 4.19Å; K190-L195 HydrophobicContact CB-CD2 3.69Å; K190-L195 HydrophobicContact CB-CG 3.84Å; K190-L195 HydrophobicContact CG-CD2 4.31Å |
| 191 | T | 93.8 | Very high | 93.9 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 36% | 0.356 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 154.1 | 177.9 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | S193 S194 L195 D252 | T191-S193 PolarHBondContact O-N 2.58Å; T191-S193 PolarHBondContact OG1-OG 3.13Å; T191-S194 PolarHBondContact N-OG 3.11Å; T191-S194 PolarHBondContact O-N 3.03Å; T191-S194 PolarHBondContact O-OG 3.29Å; T191-L195 PolarHBondContact O-N 3.39Å; T191-D252 WeakPolarHBondContact CA-OD1 3.29Å |
| 192 | S | 94.3 | Very high | 93.8 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -51.3 | -38.8 | 174.5 | 61 | 0 | 0 | 0 | 0 | 112.6 | S194 L195 K196 D252 | S192-S194 VanDerWaalsContact C-N 3.29Å; S192-S194 PolarHBondContact O-N 2.91Å; S192-L195 PolarHBondContact O-N 2.79Å; S192-K196 PolarHBondContact O-N 2.96Å; S192-D252 WeakPolarHBondContact CB-OD1 3.42Å; S192-D252 PolarHBondContact N-OD1 3.05Å; S192-D252 PolarHBondContact N-OD2 2.75Å; S192-D252 VanDerWaalsContact OG-CG 3.31Å; S192-D252 PolarHBondContact OG-OD1 2.82Å; S192-D252 PolarHBondContact OG-OD2 3.07Å |
| 193 | S | 94 | Very high | 93.8 | Very high | 89 Ų | 89 | 57 Ų | 57 | 62% | 0.622 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.7 | -32.6 | 175.2 | 66.1 | 0 | 0 | 0 | 0 | 114.1 | T191 P197 | T191-S193 PolarHBondContact O-N 2.58Å; T191-S193 PolarHBondContact OG1-OG 3.13Å; S193-P197 WeakPolarHBondContact O-CD 3.29Å |
| 194 | S | 94.4 | Very high | 93.7 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 28% | 0.28 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -84.7 | -30.7 | 175.8 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | T191 S192 P197 | T191-S194 PolarHBondContact N-OG 3.11Å; T191-S194 PolarHBondContact O-N 3.03Å; T191-S194 PolarHBondContact O-OG 3.29Å; S192-S194 VanDerWaalsContact C-N 3.29Å; S192-S194 PolarHBondContact O-N 2.91Å; S194-P197 WeakPolarHBondContact O-CG 3.42Å |
| 195 | L | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -79.4 | -34.8 | -178.3 | -67.1 | -174.6 | 0 | 0 | 0 | 112.9 | I144 Y149 C181 K190 T191 S192 S198 L199 | I144-L195 HydrophobicContact CG2-CD1 4.42Å; Y149-L195 HydrophobicContact CD1-CD2 3.18Å; Y149-L195 HydrophobicContact CD2-CD2 4.12Å; Y149-L195 HydrophobicContact CE1-CD2 3.61Å; Y149-L195 HydrophobicContact CE2-CD2 4.48Å; Y149-L195 HydrophobicContact CG-CD1 4.47Å; Y149-L195 HydrophobicContact CG-CD2 3.45Å; Y149-L195 VanDerWaalsContact CG-CD2 3.45Å; C181-L195 HydrophobicContact CB-CD1 4.2Å; K190-L195 HydrophobicContact CB-CD1 4.19Å; K190-L195 HydrophobicContact CB-CD2 3.69Å; K190-L195 HydrophobicContact CB-CG 3.84Å; K190-L195 HydrophobicContact CG-CD2 4.31Å; T191-L195 PolarHBondContact O-N 3.39Å; S192-L195 PolarHBondContact O-N 2.79Å; L195-S198 PolarHBondContact O-N 2.9Å; L195-L199 WeakPolarHBondContact O-CB 3.46Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.01Å |
| 196 | K | 96.2 | Very high | 93.7 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 24% | 0.235 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -50.6 | -58.2 | 176.7 | -179.2 | 177.4 | -178.5 | -179.8 | 0 | 112.4 | S192 S198 L199 E200 F241 D242 F250 | S192-K196 PolarHBondContact O-N 2.96Å; K196-S198 VanDerWaalsContact C-N 3.28Å; K196-S198 PolarHBondContact O-N 3.13Å; K196-L199 PolarHBondContact O-N 2.91Å; K196-E200 WeakPolarHBondContact O-CG 3.27Å; K196-E200 PolarHBondContact O-N 3.2Å; K196-F241 HydrophobicContact CG-CD2 4.04Å; K196-F241 HydrophobicContact CG-CE2 4.36Å; K196-D242 IonicContact NZ-OD1 3.64Å; K196-D242 PolarHBondContact NZ-OD1 3.26Å; K196-D242 IonicContact NZ-OD2 2.82Å; K196-F250 HydrophobicContact CB-CD1 4.19Å; K196-F250 HydrophobicContact CB-CE1 3.86Å; K196-F250 HydrophobicContact CB-CE2 4.29Å; K196-F250 HydrophobicContact CB-CZ 3.9Å; K196-F250 HydrophobicContact CD-CD2 4.18Å; K196-F250 HydrophobicContact CD-CE2 4Å; K196-F250 HydrophobicContact CD-CZ 4.44Å; K196-F250 HydrophobicContact CG-CD2 4.38Å; K196-F250 HydrophobicContact CG-CE1 4.28Å; K196-F250 HydrophobicContact CG-CE2 3.86Å; K196-F250 HydrophobicContact CG-CZ 3.79Å |
| 197 | P | 95.5 | Very high | 93.6 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -31 | -179 | 25.3 | -34.8 | 0 | 0 | 0 | 112.9 | S193 S194 E200 K201 | S193-P197 WeakPolarHBondContact O-CD 3.29Å; S194-P197 WeakPolarHBondContact O-CG 3.42Å; P197-E200 PolarHBondContact O-N 3.49Å; P197-K201 PolarHBondContact O-N 3.02Å; P197-K201 VanDerWaalsContact O-N 3.1Å |
| 198 | S | 95.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 176 | -166.5 | 0 | 0 | 0 | 0 | 111.7 | Y149 L195 K196 K201 E202 | Y149-S198 WeakPolarHBondContact CE1-OG 3.43Å; Y149-S198 PolarHBondContact OH-OG 3.2Å; L195-S198 PolarHBondContact O-N 2.9Å; K196-S198 VanDerWaalsContact C-N 3.28Å; K196-S198 PolarHBondContact O-N 3.13Å; S198-K201 PolarHBondContact O-N 3.49Å; S198-E202 PolarHBondContact O-N 2.89Å; S198-E202 VanDerWaalsContact O-N 3.1Å |
| 199 | L | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.8 | -76.5 | 166.4 | 0 | 0 | 0 | 111.4 | I144 Y149 V156 L160 I179 L195 K196 K201 E202 L203 F241 F250 | I144-L199 HydrophobicContact CD1-CD1 3.77Å; Y149-L199 HydrophobicContact CE2-CD2 3.74Å; Y149-L199 HydrophobicContact CE2-CG 4.07Å; Y149-L199 PolarHBondContact OH-N 3.05Å; V156-L199 HydrophobicContact CG1-CD2 4.2Å; L160-L199 HydrophobicContact CD2-CD1 4.37Å; L160-L199 HydrophobicContact CD2-CD2 4.1Å; I179-L199 HydrophobicContact CG2-CD1 4.33Å; L195-L199 WeakPolarHBondContact O-CB 3.46Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.01Å; K196-L199 PolarHBondContact O-N 2.91Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.11Å; L199-E202 PolarHBondContact O-N 2.74Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 3.39Å; L199-F241 HydrophobicContact CB-CE2 4.02Å; L199-F241 HydrophobicContact CB-CZ 4.01Å; L199-F250 HydrophobicContact CD1-CE1 3.98Å; L199-F250 HydrophobicContact CD1-CZ 4.43Å |
| 200 | E | 94.9 | Very high | 92.4 | Very high | 35 Ų | 35 | 50 Ų | 50 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 177.2 | -73.9 | -178.3 | 146.3 | 0 | 0 | 112.2 | K196 P197 S204 F239 S240 F241 | K196-E200 WeakPolarHBondContact O-CG 3.27Å; K196-E200 PolarHBondContact O-N 3.2Å; P197-E200 PolarHBondContact O-N 3.49Å; E200-S204 WeakPolarHBondContact O-CB 3.49Å; E200-S204 PolarHBondContact O-N 3.42Å; E200-S204 PolarHBondContact O-OG 2.99Å; E200-F239 HydrophobicContact CB-CD1 4.28Å; E200-F239 HydrophobicContact CG-CD1 4.2Å; E200-F239 HydrophobicContact CG-CE1 4.12Å; E200-S240 VanDerWaalsContact OE1-CA 3.27Å; E200-S240 WeakPolarHBondContact OE1-CA 3.46Å; E200-S240 WeakPolarHBondContact OE1-CB 3.39Å; E200-S240 PolarHBondContact OE1-OG 2.81Å; E200-F241 HydrophobicContact CG-CD2 3.31Å; E200-F241 HydrophobicContact CG-CE2 3.44Å; E200-F241 VanDerWaalsContact CG-CE2 3.44Å; E200-F241 HydrophobicContact CG-CG 4.38Å; E200-F241 WeakPolarHBondContact OE1-CD2 3.13Å; E200-F241 PolarHBondContact OE1-N 3.03Å |
| 201 | K | 93.8 | Very high | 91.3 | Very high | 145 Ų | 145 | 48.2 Ų | 48.2 | 63% | 0.63 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.5 | -49.6 | 176 | -174.3 | -176.8 | 176.6 | -173.8 | 0 | 111.9 | P197 S198 L199 S204 V205 | P197-K201 PolarHBondContact O-N 3.02Å; P197-K201 VanDerWaalsContact O-N 3.1Å; S198-K201 PolarHBondContact O-N 3.49Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.11Å; K201-S204 WeakPolarHBondContact O-CB 3.43Å; K201-S204 PolarHBondContact O-N 2.85Å; K201-V205 WeakPolarHBondContact O-CG2 3.43Å; K201-V205 PolarHBondContact O-N 3.1Å; K201-V205 VanDerWaalsContact O-N 3.16Å |
| 202 | E | 94.2 | Very high | 90.4 | Very high | 60 Ų | 60 | 52.9 Ų | 52.9 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 179.1 | -68.6 | -57.9 | 137.4 | 0 | 0 | 111.9 | S157 S198 L199 S204 V205 L206 | S157-E202 VanDerWaalsContact OG-CB 3.3Å; S157-E202 WeakPolarHBondContact OG-CB 3.36Å; S198-E202 PolarHBondContact O-N 2.89Å; S198-E202 VanDerWaalsContact O-N 3.1Å; L199-E202 PolarHBondContact O-N 2.74Å; E202-S204 VanDerWaalsContact C-N 3.3Å; E202-S204 PolarHBondContact O-N 3.41Å; E202-V205 WeakPolarHBondContact O-CB 3.49Å; E202-V205 PolarHBondContact O-N 3.33Å; E202-V205 VanDerWaalsContact O-N 3.11Å; E202-L206 PolarHBondContact O-N 2.86Å |
| 203 | L | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -33 | 175.9 | -69.9 | 173.8 | 0 | 0 | 0 | 112.3 | S157 L160 F161 L164 L199 V205 L206 N207 F239 F241 | S157-L203 WeakPolarHBondContact O-CD2 3.31Å; L160-L203 HydrophobicContact CD2-CD1 4.01Å; L160-L203 HydrophobicContact CG-CD1 4.44Å; F161-L203 HydrophobicContact CB-CD2 3.63Å; F161-L203 HydrophobicContact CD2-CD2 3.97Å; F161-L203 HydrophobicContact CG-CD2 4.31Å; L164-L203 HydrophobicContact CD1-CD1 4.44Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 3.39Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-L206 HydrophobicContact CD2-CD1 4.34Å; L203-L206 PolarHBondContact O-N 2.92Å; L203-N207 VanDerWaalsContact O-CB 3.28Å; L203-N207 WeakPolarHBondContact O-CB 3.47Å; L203-N207 PolarHBondContact O-N 3.28Å; L203-F239 HydrophobicContact CB-CB 4.49Å; L203-F239 HydrophobicContact CB-CD1 3.48Å; L203-F239 VanDerWaalsContact CB-CD1 3.48Å; L203-F239 HydrophobicContact CB-CE1 3.91Å; L203-F239 HydrophobicContact CB-CG 4.01Å; L203-F239 HydrophobicContact CD1-CD1 3.85Å; L203-F239 HydrophobicContact CD1-CE1 3.33Å; L203-F239 HydrophobicContact CD1-CZ 3.95Å; L203-F239 HydrophobicContact CG-CD1 4.33Å; L203-F239 HydrophobicContact CG-CE1 4.28Å; L203-F241 HydrophobicContact CD1-CE1 3.78Å; L203-F241 HydrophobicContact CD1-CE2 4.41Å; L203-F241 HydrophobicContact CD1-CZ 3.52Å |
| 204 | S | 92.2 | Very high | 88.1 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 171.8 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | E200 K201 E202 K208 F239 | E200-S204 WeakPolarHBondContact O-CB 3.49Å; E200-S204 PolarHBondContact O-N 3.42Å; E200-S204 PolarHBondContact O-OG 2.99Å; K201-S204 WeakPolarHBondContact O-CB 3.43Å; K201-S204 PolarHBondContact O-N 2.85Å; E202-S204 VanDerWaalsContact C-N 3.3Å; E202-S204 PolarHBondContact O-N 3.41Å; S204-K208 WeakPolarHBondContact O-CG 3.29Å; S204-K208 PolarHBondContact O-N 3.29Å; S204-K208 VanDerWaalsContact O-N 3.08Å; S204-F239 WeakPolarHBondContact OG-CB 3.41Å; S204-F239 PolarHBondContact OG-N 3.34Å |
| 205 | V | 91.4 | Very high | 86.3 | Confident | 76 Ų | 76 | 51.4 Ų | 51.4 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.4 | -48 | 176 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | K201 E202 L203 N207 K208 T209 | K201-V205 WeakPolarHBondContact O-CG2 3.43Å; K201-V205 PolarHBondContact O-N 3.1Å; K201-V205 VanDerWaalsContact O-N 3.16Å; E202-V205 WeakPolarHBondContact O-CB 3.49Å; E202-V205 PolarHBondContact O-N 3.33Å; E202-V205 VanDerWaalsContact O-N 3.11Å; L203-V205 VanDerWaalsContact C-N 3.34Å; V205-N207 PolarHBondContact O-N 3.34Å; V205-K208 PolarHBondContact O-N 3.1Å; V205-T209 PolarHBondContact O-N 3.38Å; V205-T209 PolarHBondContact O-OG1 3.49Å |
| 206 | L | 90.8 | Very high | 84.4 | Confident | 31 Ų | 31 | 55 Ų | 55 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 177.8 | -71.3 | 171.8 | 0 | 0 | 0 | 112.4 | E158 F161 E202 L203 K208 T209 Q210 | E158-L206 HydrophobicContact CG-CD1 4.1Å; E158-L206 HydrophobicContact CG-CD2 3.91Å; F161-L206 HydrophobicContact CB-CD1 4.03Å; F161-L206 HydrophobicContact CD2-CB 4Å; F161-L206 HydrophobicContact CE2-CB 4.33Å; F161-L206 HydrophobicContact CG-CB 4.3Å; F161-L206 HydrophobicContact CG-CD1 4.44Å; E202-L206 PolarHBondContact O-N 2.86Å; L203-L206 HydrophobicContact CD2-CD1 4.34Å; L203-L206 PolarHBondContact O-N 2.92Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 2.94Å; L206-T209 PolarHBondContact O-N 3.45Å; L206-Q210 WeakPolarHBondContact O-CG 3.13Å; L206-Q210 PolarHBondContact O-N 2.95Å |
| 207 | N | 87.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 177.7 | -167.3 | 53 | 0 | 0 | 0 | 111.2 | F161 L203 V205 Q210 M211 L231 | F161-N207 HydrophobicContact CE2-CB 4.04Å; L203-N207 VanDerWaalsContact O-CB 3.28Å; L203-N207 WeakPolarHBondContact O-CB 3.47Å; L203-N207 PolarHBondContact O-N 3.28Å; V205-N207 PolarHBondContact O-N 3.34Å; N207-Q210 PolarHBondContact O-N 3.38Å; N207-M211 VanDerWaalsContact O-CG 3.23Å; N207-M211 WeakPolarHBondContact O-CG 3.34Å; N207-M211 PolarHBondContact O-N 3.46Å; N207-L231 PolarHBondContact OD1-N 3.37Å |
| 208 | K | 86.2 | Confident | 80 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -48.4 | 174.1 | -74 | 177 | -178.4 | -174.6 | 0 | 111.9 | S204 V205 L206 Q210 M211 F212 N236 | S204-K208 WeakPolarHBondContact O-CG 3.29Å; S204-K208 PolarHBondContact O-N 3.29Å; S204-K208 VanDerWaalsContact O-N 3.08Å; V205-K208 PolarHBondContact O-N 3.1Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 2.94Å; K208-Q210 VanDerWaalsContact C-N 3.29Å; K208-Q210 PolarHBondContact O-N 3.42Å; K208-M211 WeakPolarHBondContact O-CB 3.42Å; K208-M211 PolarHBondContact O-N 3.35Å; K208-M211 VanDerWaalsContact O-N 3.1Å; K208-F212 HydrophobicContact CB-CD2 4.43Å; K208-F212 HydrophobicContact CB-CE2 4.18Å; K208-F212 WeakPolarHBondContact O-CD2 3.49Å; K208-F212 PolarHBondContact O-N 2.67Å; K208-N236 WeakPolarHBondContact CE-O 3.46Å; K208-N236 PolarHBondContact NZ-O 2.74Å |
| 209 | T | 85.7 | Confident | 77.9 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 178.9 | -58 | 0 | 0 | 0 | 0 | 111.5 | V205 L206 F212 A213 | V205-T209 PolarHBondContact O-N 3.38Å; V205-T209 PolarHBondContact O-OG1 3.49Å; L206-T209 PolarHBondContact O-N 3.45Å; T209-F212 PolarHBondContact O-N 3.23Å; T209-A213 WeakPolarHBondContact O-CB 3.44Å; T209-A213 PolarHBondContact O-N 3.35Å |
| 210 | Q | 80.2 | Confident | 75.6 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 175.7 | -69.6 | -71.6 | 1.3 | 0 | 0 | 112.5 | F161 L206 N207 K208 F212 A213 L214 | F161-Q210 HydrophobicContact CE1-CG 3.77Å; F161-Q210 HydrophobicContact CZ-CB 4.35Å; F161-Q210 HydrophobicContact CZ-CG 3.87Å; L206-Q210 WeakPolarHBondContact O-CG 3.13Å; L206-Q210 PolarHBondContact O-N 2.95Å; N207-Q210 PolarHBondContact O-N 3.38Å; K208-Q210 VanDerWaalsContact C-N 3.29Å; K208-Q210 PolarHBondContact O-N 3.42Å; Q210-F212 VanDerWaalsContact C-N 3.34Å; Q210-F212 PolarHBondContact O-N 2.96Å; Q210-A213 PolarHBondContact O-N 3.33Å; Q210-L214 WeakPolarHBondContact O-CB 3.42Å; Q210-L214 VanDerWaalsContact O-CG 3.28Å; Q210-L214 WeakPolarHBondContact O-CG 3.4Å; Q210-L214 PolarHBondContact O-N 3.48Å |
| 211 | M | 72.8 | Confident | 73.1 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 173.6 | -71.5 | 169.3 | 74.3 | 0 | 0 | 111.9 | N207 K208 G215 | N207-M211 VanDerWaalsContact O-CG 3.23Å; N207-M211 WeakPolarHBondContact O-CG 3.34Å; N207-M211 PolarHBondContact O-N 3.46Å; K208-M211 WeakPolarHBondContact O-CB 3.42Å; K208-M211 PolarHBondContact O-N 3.35Å; K208-M211 VanDerWaalsContact O-N 3.1Å; M211-G215 PolarHBondContact O-N 3.41Å |
| 212 | F | 74.7 | Confident | 70.8 | Confident | 156 Ų | 156 | 67.1 Ų | 67.1 | 68% | 0.684 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.7 | -40.8 | 177.7 | -71.2 | -64.2 | 0 | 0 | 0 | 112.7 | K208 T209 Q210 L214 G215 S216 | K208-F212 HydrophobicContact CB-CD2 4.43Å; K208-F212 HydrophobicContact CB-CE2 4.18Å; K208-F212 WeakPolarHBondContact O-CD2 3.49Å; K208-F212 PolarHBondContact O-N 2.67Å; T209-F212 PolarHBondContact O-N 3.23Å; Q210-F212 VanDerWaalsContact C-N 3.34Å; Q210-F212 PolarHBondContact O-N 2.96Å; F212-L214 VanDerWaalsContact C-N 3.32Å; F212-L214 PolarHBondContact O-N 2.87Å; F212-G215 PolarHBondContact O-N 3.48Å; F212-G215 VanDerWaalsContact O-N 3.14Å; F212-S216 PolarHBondContact O-N 2.99Å |
| 213 | A | 77.4 | Confident | 68.3 | Low | 49 Ų | 49 | 73 Ų | 73 | 41% | 0.405 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T209 Q210 S216 | T209-A213 WeakPolarHBondContact O-CB 3.44Å; T209-A213 PolarHBondContact O-N 3.35Å; Q210-A213 PolarHBondContact O-N 3.33Å; A213-S216 PolarHBondContact O-N 3.11Å; A213-S216 PolarHBondContact O-OG 3.43Å |
| 214 | L | 62.2 | Low | 65.8 | Low | 37 Ų | 37 | 76.4 Ų | 76.4 | 19% | 0.194 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -70.1 | -30.1 | 175.4 | -66.5 | 168.2 | 0 | 0 | 0 | 113.3 | Q210 F212 T217 A229 R230 | Q210-L214 WeakPolarHBondContact O-CB 3.42Å; Q210-L214 VanDerWaalsContact O-CG 3.28Å; Q210-L214 WeakPolarHBondContact O-CG 3.4Å; Q210-L214 PolarHBondContact O-N 3.48Å; F212-L214 VanDerWaalsContact C-N 3.32Å; F212-L214 PolarHBondContact O-N 2.87Å; L214-T217 PolarHBondContact O-OG1 3.36Å; L214-A229 HydrophobicContact CD1-CB 4.19Å; L214-R230 HydrophobicContact CD1-CG 4.03Å |
| 215 | G | 57 | Low | 63.5 | Low | 31 Ų | 31 | 86.7 Ų | 86.7 | 32% | 0.32 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M211 F212 T217 T218 | M211-G215 PolarHBondContact O-N 3.41Å; F212-G215 PolarHBondContact O-N 3.48Å; F212-G215 VanDerWaalsContact O-N 3.14Å; G215-T217 VanDerWaalsContact C-N 3.29Å; G215-T217 PolarHBondContact O-N 3Å; G215-T218 PolarHBondContact O-N 2.99Å; G215-T218 VanDerWaalsContact O-N 3.13Å; G215-T218 PolarHBondContact O-OG1 3.33Å |
| 216 | S | 55.1 | Low | 61.6 | Low | 74 Ų | 74 | 87.8 Ų | 87.8 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -29 | -179.3 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | F212 A213 T218 | F212-S216 PolarHBondContact O-N 2.99Å; A213-S216 PolarHBondContact O-N 3.11Å; A213-S216 PolarHBondContact O-OG 3.43Å; S216-T218 VanDerWaalsContact C-N 3.29Å; S216-T218 PolarHBondContact O-N 2.97Å |
| 217 | T | 51.5 | Low | 59.6 | Low | 60 Ų | 60 | 90.1 Ų | 90.1 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -77.5 | -12.3 | 176.5 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | L214 G215 I219 T220 | L214-T217 PolarHBondContact O-OG1 3.36Å; G215-T217 VanDerWaalsContact C-N 3.29Å; G215-T217 PolarHBondContact O-N 3Å; T217-I219 VanDerWaalsContact C-N 3.29Å; T217-I219 PolarHBondContact O-N 3.31Å; T217-T220 PolarHBondContact O-N 3.09Å; T217-T220 PolarHBondContact O-OG1 3.34Å |
| 218 | T | 47.4 | Very low | 58 | Low | 95 Ų | 95 | 93.8 Ų | 93.8 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -74.9 | -16.4 | 175.4 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | G215 S216 T220 G221 | G215-T218 PolarHBondContact O-N 2.99Å; G215-T218 VanDerWaalsContact O-N 3.13Å; G215-T218 PolarHBondContact O-OG1 3.33Å; S216-T218 VanDerWaalsContact C-N 3.29Å; S216-T218 PolarHBondContact O-N 2.97Å; T218-T220 PolarHBondContact O-N 3.1Å; T218-G221 PolarHBondContact O-N 3Å |
| 219 | I | 50.7 | Low | 56.7 | Low | 153 Ų | 153 | 91.3 Ų | 91.3 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -65.8 | -21.4 | 172.9 | -57.5 | 176.1 | 0 | 0 | 0 | 110.9 | T217 | T217-I219 VanDerWaalsContact C-N 3.29Å; T217-I219 PolarHBondContact O-N 3.31Å |
| 220 | T | 47.6 | Very low | 55.9 | Low | 106 Ų | 106 | 91.5 Ų | 91.5 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -102.3 | 28.8 | 176.7 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | T217 T218 V222 | T217-T220 PolarHBondContact O-N 3.09Å; T217-T220 PolarHBondContact O-OG1 3.34Å; T218-T220 PolarHBondContact O-N 3.1Å; T220-V222 PolarHBondContact O-N 3.23Å |
| 221 | G | 43 | Very low | 55.6 | Low | 74 Ų | 74 | 87.9 Ų | 87.9 | 76% | 0.763 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118 | T218 | T218-G221 PolarHBondContact O-N 3Š|
| 222 | V | 45.5 | Very low | 55.8 | Low | 97 Ų | 97 | 86.7 Ų | 86.7 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | trans | -101.2 | 103.8 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | T220 S224 | T220-V222 PolarHBondContact O-N 3.23Å; V222-S224 PolarHBondContact O-N 3.5Å | ||
| 223 | E | 42 | Very low | 55.3 | Low | 184 Ų | 184 | 84.9 Ų | 84.9 | 86% | 0.86 | 49% | 0.489 | S | S | * | . | trans | -63.2 | 85.9 | 169.1 | -66.4 | -176.4 | 165.2 | 0 | 0 | 109.4 | R225 | E223-R225 PolarHBondContact O-N 3.42Š| ||
| 224 | S | 40.7 | Very low | 55 | Low | 71 Ų | 71 | 85.6 Ų | 85.6 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | trans | -67.1 | 107.4 | 173.4 | -57 | 0 | 0 | 0 | 0 | 108.9 | V222 D226 | V222-S224 PolarHBondContact O-N 3.5Å; S224-D226 PolarHBondContact O-N 2.86Å | ||
| 225 | R | 43.5 | Very low | 55.2 | Low | 234 Ų | 234 | 89.1 Ų | 89.1 | 88% | 0.883 | 51% | 0.511 | S | S | * | . | trans | -58.6 | 16.8 | 178.1 | -76.5 | 179.2 | 169 | 171.3 | -2.9 | 116 | E223 S227 | E223-R225 PolarHBondContact O-N 3.42Å; R225-S227 VanDerWaalsContact C-N 3.31Å; R225-S227 PolarHBondContact O-N 3.26Å; R225-S227 VanDerWaalsContact O-N 3.11Å | ||
| 226 | D | 51.9 | Low | 56 | Low | 99 Ų | 99 | 92.6 Ų | 92.6 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | trans | -92.6 | 60.8 | -175.3 | -68.8 | -32.3 | 0 | 0 | 0 | 112 | S224 N228 A229 | S224-D226 PolarHBondContact O-N 2.86Å; D226-N228 PolarHBondContact O-N 2.59Å; D226-A229 PolarHBondContact O-N 2.64Å | ||
| 227 | S | 49.8 | Very low | 56.8 | Low | 80 Ų | 80 | 89.1 Ų | 89.1 | 56% | 0.559 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -55.9 | -10.9 | 159.7 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | R225 | R225-S227 VanDerWaalsContact C-N 3.31Å; R225-S227 PolarHBondContact O-N 3.26Å; R225-S227 VanDerWaalsContact O-N 3.11Å |
| 228 | N | 53.4 | Low | 58.2 | Low | 76 Ų | 76 | 92.3 Ų | 92.3 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -79.6 | -15.5 | -177.9 | -63.2 | -24.3 | 0 | 0 | 0 | 114.2 | D226 | D226-N228 PolarHBondContact O-N 2.59Š|
| 229 | A | 59 | Low | 60.1 | Low | 34 Ų | 34 | 88.2 Ų | 88.2 | 28% | 0.281 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -84.4 | -11.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L214 D226 | L214-A229 HydrophobicContact CD1-CB 4.19Å; D226-A229 PolarHBondContact O-N 2.64Å |
| 230 | R | 67.9 | Low | 62 | Low | 87 Ų | 87 | 82.8 Ų | 82.8 | 33% | 0.328 | 46% | 0.459 | S | S | . | . | trans | -93.5 | 130.4 | -178.6 | -63.7 | -177.7 | -177.2 | 176.4 | 0.2 | 110.4 | K168 L214 | K168-R230 WeakPolarHBondContact CD-O 3.2Å; K168-R230 PolarHBondContact NZ-O 3.32Å; L214-R230 HydrophobicContact CD1-CG 4.03Å | ||
| 231 | L | 74.5 | Confident | 64.1 | Low | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.01 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -74.2 | -42.6 | 177.3 | -156.5 | 102.8 | 0 | 0 | 0 | 110.9 | F161 L164 K168 N207 F239 L244 | F161-L231 HydrophobicContact CD2-CD1 4.13Å; F161-L231 HydrophobicContact CE2-CB 3.82Å; F161-L231 HydrophobicContact CE2-CD1 4.2Å; F161-L231 HydrophobicContact CE2-CG 4.46Å; F161-L231 HydrophobicContact CZ-CB 4.29Å; L164-L231 HydrophobicContact CB-CD1 3.4Å; L164-L231 HydrophobicContact CD1-CD1 4.21Å; L164-L231 HydrophobicContact CG-CD1 4.46Å; K168-L231 PolarHBondContact NZ-O 2.72Å; N207-L231 PolarHBondContact OD1-N 3.37Å; L231-F239 HydrophobicContact CD2-CD2 3.13Å; L231-F239 HydrophobicContact CD2-CE2 2.99Å; L231-F239 HydrophobicContact CD2-CG 4.09Å; L231-F239 HydrophobicContact CD2-CZ 3.83Å; L231-F239 HydrophobicContact CG-CE2 4.35Å; L231-L244 HydrophobicContact CD2-CD2 3.93Å; L231-L244 HydrophobicContact CG-CD2 4.02Å |
| 232 | L | 76.5 | Confident | 66.2 | Low | 22 Ų | 22 | 80.3 Ų | 80.3 | 12% | 0.115 | 42% | 0.424 | C | S | . | . | trans | -139.1 | 150.6 | 176.9 | -69.3 | 168.7 | 0 | 0 | 0 | 111.6 | N234 F239 S243 L244 | L232-N234 VanDerWaalsContact C-N 3.32Å; L232-N234 PolarHBondContact O-N 3.42Å; L232-F239 HydrophobicContact CD1-CB 4.38Å; L232-F239 HydrophobicContact CD1-CD2 3.45Å; L232-F239 VanDerWaalsContact CD1-CD2 3.45Å; L232-F239 HydrophobicContact CD1-CE2 4.13Å; L232-F239 HydrophobicContact CD1-CG 4.36Å; L232-F239 HydrophobicContact CG-CD2 4.22Å; L232-S243 WeakPolarHBondContact CD1-OG 3.39Å; L232-L244 HydrophobicContact CD2-CD2 4.09Å; L232-L244 HydrophobicContact CG-CD2 4.31Å | ||
| 233 | D | 65.3 | Low | 68.2 | Low | 118 Ų | 118 | 78.7 Ų | 78.7 | 63% | 0.631 | 42% | 0.417 | S | S | * | . | trans | -95.2 | 27.4 | 177 | -59 | -47 | 0 | 0 | 0 | 112.6 | ||||
| 234 | N | 70.8 | Confident | 70.3 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 34% | 0.337 | 38% | 0.382 | S | S | . | . | trans | -81.1 | 122.6 | 178.2 | -172.3 | -10.8 | 0 | 0 | 0 | 110.2 | L232 N236 G237 | L232-N234 VanDerWaalsContact C-N 3.32Å; L232-N234 PolarHBondContact O-N 3.42Å; N234-N236 PolarHBondContact O-N 3.05Å; N234-N236 VanDerWaalsContact O-N 3.13Å; N234-N236 PolarHBondContact OD1-N 2.62Å; N234-G237 PolarHBondContact O-N 2.98Å | ||
| 235 | P | 66.4 | Low | 72.4 | Confident | 112 Ų | 112 | 75.5 Ų | 75.5 | 73% | 0.727 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.3 | -179.8 | 22.8 | -35.3 | 0 | 0 | 0 | 113.7 | G237 | P235-G237 PolarHBondContact O-N 2.87Š|
| 236 | N | 73.2 | Confident | 74.4 | Confident | 103 Ų | 103 | 65.1 Ų | 65.1 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10.8 | -179.2 | -65.7 | -11.4 | 0 | 0 | 0 | 113.1 | K208 N234 Q238 | K208-N236 WeakPolarHBondContact CE-O 3.46Å; K208-N236 PolarHBondContact NZ-O 2.74Å; N234-N236 PolarHBondContact O-N 3.05Å; N234-N236 VanDerWaalsContact O-N 3.13Å; N234-N236 PolarHBondContact OD1-N 2.62Å; N236-Q238 HydrophobicContact CB-CG 4.34Å; N236-Q238 PolarHBondContact O-N 3.46Å |
| 237 | G | 71.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | trans | 61.8 | 10.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | N234 P235 F239 | N234-G237 PolarHBondContact O-N 2.98Å; P235-G237 PolarHBondContact O-N 2.87Å; G237-F239 PolarHBondContact O-N 3.24Å | ||
| 238 | Q | 81.5 | Confident | 78.5 | Confident | 127 Ų | 127 | 62.6 Ų | 62.6 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | trans | -75.2 | 124 | 174.4 | -70.4 | -176.3 | -0.6 | 0 | 0 | 108.9 | N236 | N236-Q238 HydrophobicContact CB-CG 4.34Å; N236-Q238 PolarHBondContact O-N 3.46Å | ||
| 239 | F | 87.4 | Confident | 80.5 | Confident | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | trans | -102.9 | 135.2 | 178.2 | 170.5 | -97.4 | 0 | 0 | 0 | 110.1 | E200 L203 S204 L231 L232 G237 F241 L244 | E200-F239 HydrophobicContact CB-CD1 4.28Å; E200-F239 HydrophobicContact CG-CD1 4.2Å; E200-F239 HydrophobicContact CG-CE1 4.12Å; L203-F239 HydrophobicContact CB-CB 4.49Å; L203-F239 HydrophobicContact CB-CD1 3.48Å; L203-F239 VanDerWaalsContact CB-CD1 3.48Å; L203-F239 HydrophobicContact CB-CE1 3.91Å; L203-F239 HydrophobicContact CB-CG 4.01Å; L203-F239 HydrophobicContact CD1-CD1 3.85Å; L203-F239 HydrophobicContact CD1-CE1 3.33Å; L203-F239 HydrophobicContact CD1-CZ 3.95Å; L203-F239 HydrophobicContact CG-CD1 4.33Å; L203-F239 HydrophobicContact CG-CE1 4.28Å; S204-F239 WeakPolarHBondContact OG-CB 3.41Å; S204-F239 PolarHBondContact OG-N 3.34Å; L231-F239 HydrophobicContact CD2-CD2 3.13Å; L231-F239 HydrophobicContact CD2-CE2 2.99Å; L231-F239 HydrophobicContact CD2-CG 4.09Å; L231-F239 HydrophobicContact CD2-CZ 3.83Å; L231-F239 HydrophobicContact CG-CE2 4.35Å; L232-F239 HydrophobicContact CD1-CB 4.38Å; L232-F239 HydrophobicContact CD1-CD2 3.45Å; L232-F239 VanDerWaalsContact CD1-CD2 3.45Å; L232-F239 HydrophobicContact CD1-CE2 4.13Å; L232-F239 HydrophobicContact CD1-CG 4.36Å; L232-F239 HydrophobicContact CG-CD2 4.22Å; G237-F239 PolarHBondContact O-N 3.24Å; F239-F241 AromaticContact CE1-CD1 3.81Å; F239-F241 HydrophobicContact CE1-CD1 3.81Å; F239-F241 HydrophobicContact CE1-CD2 4.01Å; F239-F241 AromaticContact CE1-CE1 3.78Å; F239-F241 HydrophobicContact CE1-CE1 3.78Å; F239-F241 AromaticContact CE1-CE2 3.96Å; F239-F241 HydrophobicContact CE1-CE2 3.96Å; F239-F241 AromaticContact CE1-CG 3.93Å; F239-F241 HydrophobicContact CE1-CG 3.93Å; F239-F241 AromaticContact CE1-CZ 3.86Å; F239-F241 HydrophobicContact CE1-CZ 3.86Å; F239-F241 HydrophobicContact CZ-CB 4.45Å; F239-F241 AromaticContact CZ-CD1 3.54Å; F239-F241 HydrophobicContact CZ-CD1 3.54Å; F239-F241 HydrophobicContact CZ-CD2 4.46Å; F239-F241 AromaticContact CZ-CE1 3.78Å; F239-F241 HydrophobicContact CZ-CE1 3.78Å; F239-F241 AromaticContact CZ-CG 3.92Å; F239-F241 HydrophobicContact CZ-CG 3.92Å; F239-F241 HydrophobicContact CZ-CZ 4.34Å; F239-L244 HydrophobicContact CE2-CD1 3.68Å; F239-L244 HydrophobicContact CE2-CD2 3.89Å; F239-L244 HydrophobicContact CE2-CG 3.7Å; F239-L244 HydrophobicContact CZ-CD1 3.71Å; F239-L244 HydrophobicContact CZ-CG 4.19Å | ||
| 240 | S | 89.9 | Confident | 82.2 | Confident | 39 Ų | 39 | 61.1 Ų | 61.1 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | trans | -136.4 | 141.6 | 163.5 | 175.2 | 0 | 0 | 0 | 0 | 109.3 | E200 D242 S243 | E200-S240 VanDerWaalsContact OE1-CA 3.27Å; E200-S240 WeakPolarHBondContact OE1-CA 3.46Å; E200-S240 WeakPolarHBondContact OE1-CB 3.39Å; E200-S240 PolarHBondContact OE1-OG 2.81Å; S240-D242 PolarHBondContact O-N 3.02Å; S240-D242 PolarHBondContact OG-N 2.93Å; S240-S243 PolarHBondContact O-N 3.45Å; S240-S243 VanDerWaalsContact O-N 3.09Å; S240-S243 PolarHBondContact O-OG 3.44Å | ||
| 241 | F | 91.4 | Very high | 83.5 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -58.3 | -33 | 178.8 | -70.8 | -74.3 | 0 | 0 | 0 | 112.1 | L160 L164 I179 K196 L199 E200 L203 F239 S243 L244 V248 F250 | L160-F241 HydrophobicContact CD2-CE1 4.22Å; L160-F241 HydrophobicContact CD2-CZ 4.07Å; L164-F241 HydrophobicContact CD1-CE1 4.2Å; I179-F241 HydrophobicContact CD1-CE1 3.81Å; I179-F241 HydrophobicContact CD1-CZ 3.88Å; K196-F241 HydrophobicContact CG-CD2 4.04Å; K196-F241 HydrophobicContact CG-CE2 4.36Å; L199-F241 HydrophobicContact CB-CE2 4.02Å; L199-F241 HydrophobicContact CB-CZ 4.01Å; E200-F241 HydrophobicContact CG-CD2 3.31Å; E200-F241 HydrophobicContact CG-CE2 3.44Å; E200-F241 VanDerWaalsContact CG-CE2 3.44Å; E200-F241 HydrophobicContact CG-CG 4.38Å; E200-F241 WeakPolarHBondContact OE1-CD2 3.13Å; E200-F241 PolarHBondContact OE1-N 3.03Å; L203-F241 HydrophobicContact CD1-CE1 3.78Å; L203-F241 HydrophobicContact CD1-CE2 4.41Å; L203-F241 HydrophobicContact CD1-CZ 3.52Å; F239-F241 AromaticContact CE1-CD1 3.81Å; F239-F241 HydrophobicContact CE1-CD1 3.81Å; F239-F241 HydrophobicContact CE1-CD2 4.01Å; F239-F241 AromaticContact CE1-CE1 3.78Å; F239-F241 HydrophobicContact CE1-CE1 3.78Å; F239-F241 AromaticContact CE1-CE2 3.96Å; F239-F241 HydrophobicContact CE1-CE2 3.96Å; F239-F241 AromaticContact CE1-CG 3.93Å; F239-F241 HydrophobicContact CE1-CG 3.93Å; F239-F241 AromaticContact CE1-CZ 3.86Å; F239-F241 HydrophobicContact CE1-CZ 3.86Å; F239-F241 HydrophobicContact CZ-CB 4.45Å; F239-F241 AromaticContact CZ-CD1 3.54Å; F239-F241 HydrophobicContact CZ-CD1 3.54Å; F239-F241 HydrophobicContact CZ-CD2 4.46Å; F239-F241 AromaticContact CZ-CE1 3.78Å; F239-F241 HydrophobicContact CZ-CE1 3.78Å; F239-F241 AromaticContact CZ-CG 3.92Å; F239-F241 HydrophobicContact CZ-CG 3.92Å; F239-F241 HydrophobicContact CZ-CZ 4.34Å; F241-S243 PolarHBondContact O-N 3.11Å; F241-L244 HydrophobicContact CD1-CD1 4.28Å; F241-L244 WeakPolarHBondContact O-CB 2.96Å; F241-L244 PolarHBondContact O-N 3.16Å; F241-V248 HydrophobicContact CB-CB 4.42Å; F241-V248 HydrophobicContact CD1-CB 4.14Å; F241-V248 HydrophobicContact CD1-CG1 3.82Å; F241-V248 HydrophobicContact CD1-CG2 4.15Å; F241-V248 HydrophobicContact CE1-CG1 4.28Å; F241-V248 HydrophobicContact CG-CG1 4.42Å; F241-F250 HydrophobicContact CD1-CE2 4.48Å; F241-F250 AromaticContact CD2-CE2 3.81Å; F241-F250 HydrophobicContact CD2-CE2 3.81Å; F241-F250 AromaticContact CD2-CZ 3.74Å; F241-F250 HydrophobicContact CD2-CZ 3.74Å; F241-F250 HydrophobicContact CE1-CZ 4.37Å; F241-F250 HydrophobicContact CE2-CE2 4.04Å; F241-F250 AromaticContact CE2-CZ 3.48Å; F241-F250 HydrophobicContact CE2-CZ 3.48Å; F241-F250 VanDerWaalsContact CE2-CZ 3.48Å; F241-F250 HydrophobicContact CG-CE2 4.05Å; F241-F250 HydrophobicContact CG-CZ 4.31Å; F241-F250 HydrophobicContact CZ-CE2 4.46Å; F241-F250 AromaticContact CZ-CZ 3.82Å; F241-F250 HydrophobicContact CZ-CZ 3.82Å |
| 242 | D | 88.6 | Confident | 84.4 | Confident | 123 Ų | 123 | 60.2 Ų | 60.2 | 66% | 0.658 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -71.1 | -17.4 | -176.9 | -54 | -13.9 | 0 | 0 | 0 | 112.2 | K196 S240 | K196-D242 IonicContact NZ-OD1 3.64Å; K196-D242 PolarHBondContact NZ-OD1 3.26Å; K196-D242 IonicContact NZ-OD2 2.82Å; S240-D242 PolarHBondContact O-N 3.02Å; S240-D242 PolarHBondContact OG-N 2.93Å |
| 243 | S | 86.9 | Confident | 85.2 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -87 | -7.1 | 176.6 | 69 | 0 | 0 | 0 | 0 | 114 | L232 S240 F241 | L232-S243 WeakPolarHBondContact CD1-OG 3.39Å; S240-S243 PolarHBondContact O-N 3.45Å; S240-S243 VanDerWaalsContact O-N 3.09Å; S240-S243 PolarHBondContact O-OG 3.44Å; F241-S243 PolarHBondContact O-N 3.11Å |
| 244 | L | 85.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 54 Ų | 54 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -76 | 148 | 176.3 | -69.1 | 173.1 | 0 | 0 | 0 | 111.3 | L164 L231 L232 F239 F241 I246 V248 | L164-L244 HydrophobicContact CD1-CD1 4.2Å; L164-L244 HydrophobicContact CD2-CD1 4.37Å; L231-L244 HydrophobicContact CD2-CD2 3.93Å; L231-L244 HydrophobicContact CG-CD2 4.02Å; L232-L244 HydrophobicContact CD2-CD2 4.09Å; L232-L244 HydrophobicContact CG-CD2 4.31Å; F239-L244 HydrophobicContact CE2-CD1 3.68Å; F239-L244 HydrophobicContact CE2-CD2 3.89Å; F239-L244 HydrophobicContact CE2-CG 3.7Å; F239-L244 HydrophobicContact CZ-CD1 3.71Å; F239-L244 HydrophobicContact CZ-CG 4.19Å; F241-L244 HydrophobicContact CD1-CD1 4.28Å; F241-L244 WeakPolarHBondContact O-CB 2.96Å; F241-L244 PolarHBondContact O-N 3.16Å; L244-I246 PolarHBondContact O-N 3.08Å; L244-V248 HydrophobicContact CD1-CG2 4.13Å |
| 245 | Q | 84.7 | Confident | 87.1 | Confident | 164 Ų | 164 | 51.1 Ų | 51.1 | 77% | 0.766 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -73.2 | -5.8 | 168.6 | -65 | -177.4 | 3 | 0 | 0 | 113 | ||
| 246 | I | 87.3 | Confident | 87.7 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -101.9 | 130.7 | -177.9 | -61 | 165.8 | 0 | 0 | 0 | 107.4 | L167 V177 L244 V248 | L167-I246 HydrophobicContact CB-CD1 3.66Å; V177-I246 HydrophobicContact CG2-CG2 3.72Å; L244-I246 PolarHBondContact O-N 3.08Å; I246-V248 HydrophobicContact CG2-CG2 4.45Å; I246-V248 PolarHBondContact O-N 3.45Å |
| 247 | H | 91.3 | Very high | 87.3 | Confident | 107 Ų | 107 | 48 Ų | 48 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | trans | -71.1 | 118.7 | 176.2 | -168 | -93.4 | 0 | 0 | 0 | 110.1 | K176 V177 D249 | K176-H247 HydrophobicContact CG-CB 4.36Å; V177-H247 PolarHBondContact N-O 3.44Å; H247-D249 IonicContact CE1-OD1 2.89Å; H247-D249 PolarHBondContact CE1-OD1 3.28Å; H247-D249 IonicContact CE1-OD2 2.62Å; H247-D249 PolarHBondContact CE1-OD2 2.95Å; H247-D249 IonicContact ND1-OD1 2.58Å; H247-D249 IonicContact ND1-OD2 3.68Å; H247-D249 PolarHBondContact ND1-OD2 3.1Å | ||
| 248 | V | 94.6 | Very high | 86.3 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 12% | 0.121 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 112.7 | 179.4 | -171.5 | 0 | 0 | 0 | 0 | 110 | L164 V177 I179 F241 L244 I246 F250 | L164-V248 HydrophobicContact CD2-CG2 4.48Å; V177-V248 HydrophobicContact CB-CG1 4.36Å; V177-V248 HydrophobicContact CB-CG2 4.21Å; V177-V248 HydrophobicContact CG1-CG1 4.31Å; V177-V248 CarbonylContact O-C 3.4Å; V177-V248 WeakPolarHBondContact O-CA 3.46Å; I179-V248 HydrophobicContact CD1-CG1 3.69Å; I179-V248 HydrophobicContact CG1-CG1 4.16Å; F241-V248 HydrophobicContact CB-CB 4.42Å; F241-V248 HydrophobicContact CD1-CB 4.14Å; F241-V248 HydrophobicContact CD1-CG1 3.82Å; F241-V248 HydrophobicContact CD1-CG2 4.15Å; F241-V248 HydrophobicContact CE1-CG1 4.28Å; F241-V248 HydrophobicContact CG-CG1 4.42Å; L244-V248 HydrophobicContact CD1-CG2 4.13Å; I246-V248 HydrophobicContact CG2-CG2 4.45Å; I246-V248 PolarHBondContact O-N 3.45Å; V248-F250 HydrophobicContact CG1-CE2 4.02Å |
| 249 | D | 95.4 | Very high | 84.9 | Confident | 42 Ų | 42 | 49.3 Ų | 49.3 | 23% | 0.225 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 156.9 | 173.9 | -68 | -55.1 | 0 | 0 | 0 | 111.1 | V177 L178 I179 H247 W274 | V177-D249 PolarHBondContact O-N 2.97Å; L178-D249 CarbonylContact C-O 3.59Å; L178-D249 WeakPolarHBondContact CA-O 3.04Å; L178-D249 HydrophobicContact CD1-CB 3.77Å; I179-D249 PolarHBondContact N-O 2.94Å; H247-D249 IonicContact CE1-OD1 2.89Å; H247-D249 PolarHBondContact CE1-OD1 3.28Å; H247-D249 IonicContact CE1-OD2 2.62Å; H247-D249 PolarHBondContact CE1-OD2 2.95Å; H247-D249 IonicContact ND1-OD1 2.58Å; H247-D249 IonicContact ND1-OD2 3.68Å; H247-D249 PolarHBondContact ND1-OD2 3.1Å; D249-W274 VanDerWaalsContact OD2-CD1 3.32Å; D249-W274 PolarHBondContact OD2-NE1 3.12Å |
| 250 | F | 95.7 | Very high | 83.1 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141 | 175 | -80.1 | -100.7 | 0 | 0 | 0 | 109.8 | I179 K196 L199 F241 V248 | I179-F250 HydrophobicContact CB-CD1 3.75Å; I179-F250 HydrophobicContact CB-CE1 3.74Å; I179-F250 HydrophobicContact CB-CG 4.21Å; I179-F250 HydrophobicContact CB-CZ 4.18Å; I179-F250 HydrophobicContact CD1-CD1 4.39Å; I179-F250 HydrophobicContact CD1-CE1 3.6Å; I179-F250 HydrophobicContact CD1-CE2 3.76Å; I179-F250 HydrophobicContact CD1-CZ 3.23Å; I179-F250 HydrophobicContact CG1-CE1 4.26Å; I179-F250 HydrophobicContact CG1-CZ 4.25Å; I179-F250 HydrophobicContact CG2-CD1 3.72Å; I179-F250 HydrophobicContact CG2-CE1 3.57Å; I179-F250 HydrophobicContact CG2-CZ 4.38Å; I179-F250 WeakPolarHBondContact O-CA 3.35Å; K196-F250 HydrophobicContact CB-CD1 4.19Å; K196-F250 HydrophobicContact CB-CE1 3.86Å; K196-F250 HydrophobicContact CB-CE2 4.29Å; K196-F250 HydrophobicContact CB-CZ 3.9Å; K196-F250 HydrophobicContact CD-CD2 4.18Å; K196-F250 HydrophobicContact CD-CE2 4Å; K196-F250 HydrophobicContact CD-CZ 4.44Å; K196-F250 HydrophobicContact CG-CD2 4.38Å; K196-F250 HydrophobicContact CG-CE1 4.28Å; K196-F250 HydrophobicContact CG-CE2 3.86Å; K196-F250 HydrophobicContact CG-CZ 3.79Å; L199-F250 HydrophobicContact CD1-CE1 3.98Å; L199-F250 HydrophobicContact CD1-CZ 4.43Å; F241-F250 HydrophobicContact CD1-CE2 4.48Å; F241-F250 AromaticContact CD2-CE2 3.81Å; F241-F250 HydrophobicContact CD2-CE2 3.81Å; F241-F250 AromaticContact CD2-CZ 3.74Å; F241-F250 HydrophobicContact CD2-CZ 3.74Å; F241-F250 HydrophobicContact CE1-CZ 4.37Å; F241-F250 HydrophobicContact CE2-CE2 4.04Å; F241-F250 AromaticContact CE2-CZ 3.48Å; F241-F250 HydrophobicContact CE2-CZ 3.48Å; F241-F250 VanDerWaalsContact CE2-CZ 3.48Å; F241-F250 HydrophobicContact CG-CE2 4.05Å; F241-F250 HydrophobicContact CG-CZ 4.31Å; F241-F250 HydrophobicContact CZ-CE2 4.46Å; F241-F250 AromaticContact CZ-CZ 3.82Å; F241-F250 HydrophobicContact CZ-CZ 3.82Å; V248-F250 HydrophobicContact CG1-CE2 4.02Å |
| 251 | C | 94.6 | Very high | 81.1 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 152.3 | 173 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | L178 I179 C181 F270 | L178-C251 HydrophobicContact CD1-CB 4.11Å; I179-C251 PolarHBondContact O-N 3.4Å; C181-C251 WeakPolarHBondContact CB-O 3.23Å; C181-C251 PolarHBondContact N-O 2.89Å; C251-F270 HydrophobicContact CB-CB 4.36Å; C251-F270 HydrophobicContact CB-CD1 3.19Å; C251-F270 HydrophobicContact CB-CE1 3.5Å; C251-F270 HydrophobicContact CB-CG 3.81Å; C251-F270 HydrophobicContact CB-CZ 4.32Å |
| 252 | D | 93.9 | Very high | 78.8 | Confident | 65 Ų | 65 | 66 Ų | 66 | 35% | 0.348 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.8 | 171.8 | -72 | -48 | 0 | 0 | 0 | 109.3 | Q184 T191 S192 | Q184-D252 HydrophobicContact CG-CB 3.96Å; Q184-D252 PolarHBondContact NE2-OD1 3.14Å; T191-D252 WeakPolarHBondContact CA-OD1 3.29Å; S192-D252 WeakPolarHBondContact CB-OD1 3.42Å; S192-D252 PolarHBondContact N-OD1 3.05Å; S192-D252 PolarHBondContact N-OD2 2.75Å; S192-D252 VanDerWaalsContact OG-CG 3.31Å; S192-D252 PolarHBondContact OG-OD1 2.82Å; S192-D252 PolarHBondContact OG-OD2 3.07Å |
| 253 | C | 92.3 | Very high | 76.8 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.034 | 37% | 0.365 | C | S | . | . | trans | -144.6 | 162.3 | -178.5 | 69.8 | 0 | 0 | 0 | 0 | 113.6 | C181 N182 K183 Q184 T267 L268 V271 | C181-C253 PolarHBondContact O-N 3.29Å; N182-C253 CarbonylContact C-O 3.59Å; N182-C253 VanDerWaalsContact CA-O 3.26Å; N182-C253 WeakPolarHBondContact CA-O 3.44Å; N182-C253 PolarHBondContact OD1-O 3.24Å; K183-C253 PolarHBondContact N-O 2.88Å; K183-C253 VanDerWaalsContact N-O 3.16Å; Q184-C253 WeakPolarHBondContact CB-O 3.42Å; Q184-C253 VanDerWaalsContact CG-O 3.24Å; Q184-C253 WeakPolarHBondContact CG-O 3.3Å; Q184-C253 PolarHBondContact N-O 3.06Å; Q184-C253 VanDerWaalsContact N-O 3.17Å; C253-T267 WeakPolarHBondContact CA-O 3.5Å; C253-T267 WeakPolarHBondContact CB-O 3.33Å; C253-L268 HydrophobicContact CB-CD2 3.99Å; C253-V271 HydrophobicContact CB-CG2 4.38Å | ||
| 254 | S | 91.3 | Very high | 75 | Confident | 5 Ų | 5 | 69 Ų | 69 | 4% | 0.035 | 37% | 0.369 | C | S | . | . | trans | -138.1 | 119.1 | 170 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | N182 D185 K256 T267 | N182-S254 WeakPolarHBondContact OD1-CA 3.39Å; D185-S254 VanDerWaalsContact CG-OG 3.24Å; D185-S254 WeakPolarHBondContact OD1-CB 3.21Å; D185-S254 PolarHBondContact OD1-OG 2.96Å; S254-K256 VanDerWaalsContact C-N 3.26Å; S254-K256 PolarHBondContact OG-N 3.12Å; S254-K256 PolarHBondContact OG-O 3.48Å; S254-T267 VanDerWaalsContact O-CB 3.27Å; S254-T267 WeakPolarHBondContact O-CB 3.34Å; S254-T267 PolarHBondContact O-OG1 2.95Å | ||
| 255 | S | 85.3 | Confident | 73.4 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.014 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -75.5 | -15.6 | 172.2 | -44.1 | 0 | 0 | 0 | 0 | 113 | A83 N182 | A83-S255 WeakPolarHBondContact CB-OG 3.35Å; N182-S255 PolarHBondContact ND2-OG 2.91Å; N182-S255 VanDerWaalsContact ND2-OG 3.17Å; N182-S255 PolarHBondContact OD1-N 3.32Å; N182-S255 PolarHBondContact OD1-OG 2.68Å; N182-S255 VanDerWaalsContact OD1-OG 3.14Å |
| 256 | K | 78.8 | Confident | 72.2 | Confident | 117 Ų | 117 | 68.7 Ų | 68.7 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | trans | -106 | 97.6 | 179.5 | -74.3 | -170.9 | 176.5 | -174.7 | 0 | 109.1 | F92 S254 | F92-K256 HydrophobicContact CD2-CG 4.07Å; F92-K256 HydrophobicContact CE2-CD 4.19Å; F92-K256 HydrophobicContact CE2-CG 3.56Å; F92-K256 HydrophobicContact CZ-CD 4.33Å; F92-K256 HydrophobicContact CZ-CG 4.14Å; S254-K256 VanDerWaalsContact C-N 3.26Å; S254-K256 PolarHBondContact OG-N 3.12Å; S254-K256 PolarHBondContact OG-O 3.48Å | ||
| 257 | T | 64.7 | Low | 71.5 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 19% | 0.19 | 38% | 0.377 | C | S | . | . | trans | -134.3 | 116.6 | 166.9 | -51.7 | 0 | 0 | 0 | 0 | 108.1 | A259 T267 | T257-A259 PolarHBondContact O-N 2.95Å; T257-T267 HydrophobicContact CG2-CG2 4.49Å; T257-T267 VanDerWaalsContact OG1-CG2 3.29Å; T257-T267 WeakPolarHBondContact OG1-CG2 3.21Å | ||
| 258 | S | 51.2 | Low | 71.1 | Confident | 90 Ų | 90 | 65 Ų | 65 | 63% | 0.629 | 36% | 0.356 | S | S | * | . | trans | -59.2 | 134.4 | 173.8 | -56.7 | 0 | 0 | 0 | 0 | 109 | T260 V261 | S258-T260 PolarHBondContact O-N 3.46Å; S258-V261 PolarHBondContact O-N 3.34Å | ||
| 259 | A | 51.8 | Low | 70.6 | Confident | 67 Ų | 67 | 70 Ų | 70 | 55% | 0.554 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -11.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T257 V261 E264 | T257-A259 PolarHBondContact O-N 2.95Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 PolarHBondContact O-N 2.98Å; A259-E264 WeakPolarHBondContact CB-OE1 3.42Å |
| 260 | T | 49.5 | Very low | 70.2 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 80% | 0.798 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.2 | -175.3 | -14.3 | 0 | 0 | 0 | 0 | 114.5 | S258 | S258-T260 PolarHBondContact O-N 3.46Š|
| 261 | V | 48 | Very low | 70 | Confident | 93 Ų | 93 | 70.8 Ų | 70.8 | 56% | 0.564 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -104.4 | 116.5 | 171 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | S258 A259 K263 | S258-V261 PolarHBondContact O-N 3.34Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 PolarHBondContact O-N 2.98Å; V261-K263 PolarHBondContact O-N 3.39Å |
| 262 | L | 44.2 | Very low | 69.8 | Low | 180 Ų | 180 | 74.8 Ų | 74.8 | 94% | 0.942 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -58.7 | 48.7 | 175.3 | -81.6 | 157.3 | 0 | 0 | 0 | 114.3 | ||
| 263 | K | 47.1 | Very low | 69.6 | Low | 135 Ų | 135 | 78 Ų | 78 | 59% | 0.587 | 41% | 0.405 | S | S | * | . | trans | -141.3 | 45.8 | 168.3 | -72.9 | -173.1 | 170.2 | 179.7 | 0 | 109.7 | V261 E265 T266 | V261-K263 PolarHBondContact O-N 3.39Å; K263-E265 PolarHBondContact O-N 3.17Å; K263-T266 HydrophobicContact CB-CG2 4Å; K263-T266 WeakPolarHBondContact CB-OG1 3.22Å; K263-T266 HydrophobicContact CD-CG2 4.07Å; K263-T266 HydrophobicContact CG-CG2 4.23Å; K263-T266 PolarHBondContact O-N 3.46Å; K263-T266 PolarHBondContact O-OG1 3.36Å; K263-T266 VanDerWaalsContact O-OG1 3.12Å | ||
| 264 | E | 48.3 | Very low | 69.6 | Low | 115 Ų | 115 | 78.5 Ų | 78.5 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -15.4 | 178.3 | -71.9 | -173.4 | 132.7 | 0 | 0 | 114.4 | A259 | A259-E264 WeakPolarHBondContact CB-OE1 3.42Š|
| 265 | E | 52.3 | Low | 69.7 | Low | 126 Ų | 126 | 78.3 Ų | 78.3 | 59% | 0.589 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -15.4 | 177 | -67.8 | -177.3 | 150 | 0 | 0 | 114.7 | K263 R269 | K263-E265 PolarHBondContact O-N 3.17Å; E265-R269 VanDerWaalsContact CB-NE 3.3Å; E265-R269 VanDerWaalsContact O-CB 3.23Å; E265-R269 WeakPolarHBondContact O-CB 3.38Å; E265-R269 WeakPolarHBondContact O-CD 3.4Å; E265-R269 WeakPolarHBondContact O-CG 3.43Å; E265-R269 PolarHBondContact O-N 3.29Å; E265-R269 PolarHBondContact O-NE 3.34Å; E265-R269 IonicContact OE2-CZ 3.1Å; E265-R269 IonicContact OE2-NE 3.66Å; E265-R269 IonicContact OE2-NH2 2.66Å; E265-R269 PolarHBondContact OE2-NH2 2.93Å |
| 266 | T | 58.8 | Low | 69.9 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 34% | 0.344 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -31.3 | -167.3 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | K263 R269 | K263-T266 HydrophobicContact CB-CG2 4Å; K263-T266 WeakPolarHBondContact CB-OG1 3.22Å; K263-T266 HydrophobicContact CD-CG2 4.07Å; K263-T266 HydrophobicContact CG-CG2 4.23Å; K263-T266 PolarHBondContact O-N 3.46Å; K263-T266 PolarHBondContact O-OG1 3.36Å; K263-T266 VanDerWaalsContact O-OG1 3.12Å; T266-R269 VanDerWaalsContact CG2-NH1 3.27Å |
| 267 | T | 71.7 | Confident | 70.3 | Confident | 33 Ų | 33 | 78.4 Ų | 78.4 | 20% | 0.202 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -79.3 | -26.7 | -165.7 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | C253 S254 T257 | C253-T267 WeakPolarHBondContact CA-O 3.5Å; C253-T267 WeakPolarHBondContact CB-O 3.33Å; S254-T267 VanDerWaalsContact O-CB 3.27Å; S254-T267 WeakPolarHBondContact O-CB 3.34Å; S254-T267 PolarHBondContact O-OG1 2.95Å; T257-T267 HydrophobicContact CG2-CG2 4.49Å; T257-T267 VanDerWaalsContact OG1-CG2 3.29Å; T257-T267 WeakPolarHBondContact OG1-CG2 3.21Å |
| 268 | L | 83.1 | Confident | 71.2 | Confident | 12 Ų | 12 | 78 Ų | 78 | 6% | 0.063 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -114.8 | 11.3 | 174.4 | -67.2 | 173.8 | 0 | 0 | 0 | 112.7 | R86 L87 C253 F270 V271 K272 | R86-L268 HydrophobicContact CB-CD1 4Å; R86-L268 HydrophobicContact CG-CD1 3.52Å; L87-L268 HydrophobicContact CD2-CB 4.47Å; L87-L268 HydrophobicContact CD2-CD1 4.34Å; L87-L268 HydrophobicContact CG-CD1 4.38Å; C253-L268 HydrophobicContact CB-CD2 3.99Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 3.04Å; L268-V271 HydrophobicContact CD2-CB 4.36Å; L268-V271 HydrophobicContact CD2-CG2 3.93Å; L268-V271 PolarHBondContact O-N 3.47Å; L268-V271 VanDerWaalsContact O-N 3.14Å; L268-K272 PolarHBondContact O-N 2.93Å |
| 269 | R | 84.2 | Confident | 72.2 | Confident | 124 Ų | 124 | 77.4 Ų | 77.4 | 47% | 0.468 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -54.6 | -47.4 | 179 | -119 | 169.9 | -140.7 | -177.7 | -2.6 | 111.4 | E265 T266 V271 K272 Q273 | E265-R269 VanDerWaalsContact CB-NE 3.3Å; E265-R269 VanDerWaalsContact O-CB 3.23Å; E265-R269 WeakPolarHBondContact O-CB 3.38Å; E265-R269 WeakPolarHBondContact O-CD 3.4Å; E265-R269 WeakPolarHBondContact O-CG 3.43Å; E265-R269 PolarHBondContact O-N 3.29Å; E265-R269 PolarHBondContact O-NE 3.34Å; E265-R269 IonicContact OE2-CZ 3.1Å; E265-R269 IonicContact OE2-NE 3.66Å; E265-R269 IonicContact OE2-NH2 2.66Å; E265-R269 PolarHBondContact OE2-NH2 2.93Å; T266-R269 VanDerWaalsContact CG2-NH1 3.27Å; R269-V271 PolarHBondContact O-N 3.14Å; R269-K272 PolarHBondContact O-N 2.94Å; R269-Q273 WeakPolarHBondContact O-CB 3.47Å; R269-Q273 PolarHBondContact O-N 2.83Å |
| 270 | F | 87.2 | Confident | 73.3 | Confident | 90 Ų | 90 | 77.9 Ų | 77.9 | 40% | 0.395 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 178.1 | -170.6 | -82.6 | 0 | 0 | 0 | 111.9 | L178 C251 L268 K272 Q273 W274 | L178-F270 HydrophobicContact CD1-CD1 4.32Å; L178-F270 HydrophobicContact CD1-CE1 3.75Å; C251-F270 HydrophobicContact CB-CB 4.36Å; C251-F270 HydrophobicContact CB-CD1 3.19Å; C251-F270 HydrophobicContact CB-CE1 3.5Å; C251-F270 HydrophobicContact CB-CG 3.81Å; C251-F270 HydrophobicContact CB-CZ 4.32Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 3.04Å; F270-K272 VanDerWaalsContact C-N 3.34Å; F270-K272 PolarHBondContact O-N 3.42Å; F270-Q273 PolarHBondContact O-N 3.05Å; F270-W274 HydrophobicContact CD1-CB 4.46Å; F270-W274 HydrophobicContact CE1-CB 4.32Å; F270-W274 VanDerWaalsContact O-CB 3.3Å; F270-W274 WeakPolarHBondContact O-CB 3Å; F270-W274 PolarHBondContact O-N 3.32Å |
| 271 | V | 91.6 | Very high | 74.6 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 178 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | L87 I141 L178 C253 L268 R269 W274 L275 | L87-V271 HydrophobicContact CD1-CG1 4.21Å; I141-V271 HydrophobicContact CD1-CG1 3.93Å; L178-V271 HydrophobicContact CD2-CG1 4.4Å; L178-V271 HydrophobicContact CD2-CG2 4.27Å; C253-V271 HydrophobicContact CB-CG2 4.38Å; L268-V271 HydrophobicContact CD2-CB 4.36Å; L268-V271 HydrophobicContact CD2-CG2 3.93Å; L268-V271 PolarHBondContact O-N 3.47Å; L268-V271 VanDerWaalsContact O-N 3.14Å; R269-V271 PolarHBondContact O-N 3.14Å; V271-W274 PolarHBondContact O-N 3.45Å; V271-L275 HydrophobicContact CG1-CD1 4.14Å; V271-L275 WeakPolarHBondContact O-CB 3.12Å; V271-L275 VanDerWaalsContact O-CG 3.24Å; V271-L275 WeakPolarHBondContact O-CG 3.27Å; V271-L275 PolarHBondContact O-N 2.98Å |
| 272 | K | 89.6 | Confident | 76.2 | Confident | 90 Ų | 90 | 73.9 Ų | 73.9 | 39% | 0.391 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.2 | -71.6 | -176 | 177 | -175.7 | 0 | 112.3 | L87 L268 R269 F270 L275 S276 | L87-K272 HydrophobicContact CD2-CG 3.76Å; L268-K272 PolarHBondContact O-N 2.93Å; R269-K272 PolarHBondContact O-N 2.94Å; F270-K272 VanDerWaalsContact C-N 3.34Å; F270-K272 PolarHBondContact O-N 3.42Å; K272-L275 PolarHBondContact O-N 3.41Å; K272-S276 PolarHBondContact O-N 3.13Å |
| 273 | Q | 90.2 | Very high | 78.2 | Confident | 133 Ų | 133 | 67.3 Ų | 67.3 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 177.4 | -175.6 | 178.6 | 6.2 | 0 | 0 | 111.4 | R269 F270 S276 A277 | R269-Q273 WeakPolarHBondContact O-CB 3.47Å; R269-Q273 PolarHBondContact O-N 2.83Å; F270-Q273 PolarHBondContact O-N 3.05Å; Q273-S276 WeakPolarHBondContact CA-OG 3.28Å; Q273-S276 PolarHBondContact O-N 3.33Å; Q273-S276 PolarHBondContact O-OG 2.62Å; Q273-A277 PolarHBondContact O-N 3.24Å; Q273-A277 VanDerWaalsContact O-N 3.16Å |
| 274 | W | 93.6 | Very high | 80.3 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 175.8 | -173.8 | 90.9 | 0 | 0 | 0 | 111 | V70 I141 K176 L178 D249 F270 V271 S276 A277 V278 | V70-W274 HydrophobicContact CG1-CZ3 4.22Å; I141-W274 HydrophobicContact CD1-CE3 4.37Å; I141-W274 HydrophobicContact CD1-CZ3 4.16Å; I141-W274 HydrophobicContact CG1-CE3 4.14Å; I141-W274 HydrophobicContact CG1-CH2 4.32Å; I141-W274 HydrophobicContact CG1-CZ3 3.62Å; K176-W274 HydrophobicContact CB-CH2 4.16Å; K176-W274 HydrophobicContact CB-CZ2 3.44Å; K176-W274 VanDerWaalsContact CB-CZ2 3.44Å; K176-W274 WeakPolarHBondContact O-CH2 3.37Å; L178-W274 HydrophobicContact CB-CD2 3.8Å; L178-W274 HydrophobicContact CB-CE3 4.06Å; L178-W274 HydrophobicContact CB-CG 4.37Å; L178-W274 HydrophobicContact CB-CH2 3.94Å; L178-W274 HydrophobicContact CB-CZ2 3.66Å; L178-W274 HydrophobicContact CB-CZ3 4.13Å; L178-W274 HydrophobicContact CD1-CG 4.35Å; L178-W274 HydrophobicContact CD2-CB 4.12Å; L178-W274 HydrophobicContact CD2-CD2 3.88Å; L178-W274 HydrophobicContact CD2-CE3 4Å; L178-W274 HydrophobicContact CD2-CG 3.92Å; L178-W274 HydrophobicContact CG-CD2 4.32Å; L178-W274 HydrophobicContact CG-CG 4.46Å; D249-W274 VanDerWaalsContact OD2-CD1 3.32Å; D249-W274 PolarHBondContact OD2-NE1 3.12Å; F270-W274 HydrophobicContact CD1-CB 4.46Å; F270-W274 HydrophobicContact CE1-CB 4.32Å; F270-W274 VanDerWaalsContact O-CB 3.3Å; F270-W274 WeakPolarHBondContact O-CB 3Å; F270-W274 PolarHBondContact O-N 3.32Å; V271-W274 PolarHBondContact O-N 3.45Å; W274-S276 VanDerWaalsContact C-N 3.27Å; W274-S276 PolarHBondContact O-N 3.27Å; W274-A277 CarbonylContact O-C 3.59Å; W274-A277 WeakPolarHBondContact O-CA 3.49Å; W274-A277 PolarHBondContact O-N 2.8Å; W274-V278 HydrophobicContact CD2-CG2 3.93Å; W274-V278 HydrophobicContact CE3-CG2 3.64Å; W274-V278 HydrophobicContact CH2-CG2 3.56Å; W274-V278 HydrophobicContact CZ2-CG2 3.83Å; W274-V278 HydrophobicContact CZ3-CG2 3.44Å; W274-V278 VanDerWaalsContact CZ3-CG2 3.44Å; W274-V278 WeakPolarHBondContact O-CG2 3.45Å; W274-V278 PolarHBondContact O-N 2.76Å |
| 275 | L | 92.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.1 | -34.6 | 174.9 | -75.1 | 168.5 | 0 | 0 | 0 | 113 | V70 L87 L106 L108 V113 I141 V271 K272 A277 | V70-L275 HydrophobicContact CB-CD2 4.08Å; V70-L275 HydrophobicContact CG1-CD2 3.81Å; V70-L275 HydrophobicContact CG2-CD2 3.98Å; L87-L275 HydrophobicContact CD1-CD1 4.17Å; L87-L275 HydrophobicContact CD2-CD1 4.5Å; L106-L275 HydrophobicContact CD1-CD1 4.06Å; L108-L275 HydrophobicContact CD1-CB 3.36Å; L108-L275 HydrophobicContact CD1-CD1 4.46Å; V113-L275 HydrophobicContact CG1-CD2 4.14Å; I141-L275 HydrophobicContact CD1-CD1 4.39Å; I141-L275 HydrophobicContact CD1-CD2 3.77Å; I141-L275 HydrophobicContact CD1-CG 4.11Å; V271-L275 HydrophobicContact CG1-CD1 4.14Å; V271-L275 WeakPolarHBondContact O-CB 3.12Å; V271-L275 VanDerWaalsContact O-CG 3.24Å; V271-L275 WeakPolarHBondContact O-CG 3.27Å; V271-L275 PolarHBondContact O-N 2.98Å; K272-L275 PolarHBondContact O-N 3.41Å; L275-A277 VanDerWaalsContact C-N 3.29Å |
| 276 | S | 88.7 | Confident | 84.9 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.7 | -21.4 | 173.9 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | K272 Q273 W274 | K272-S276 PolarHBondContact O-N 3.13Å; Q273-S276 WeakPolarHBondContact CA-OG 3.28Å; Q273-S276 PolarHBondContact O-N 3.33Å; Q273-S276 PolarHBondContact O-OG 2.62Å; W274-S276 VanDerWaalsContact C-N 3.27Å; W274-S276 PolarHBondContact O-N 3.27Å |
| 277 | A | 88 | Confident | 87.1 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 49% | 0.488 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -95.6 | -15.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K176 Q273 W274 L275 | K176-A277 PolarHBondContact NZ-O 3.42Å; Q273-A277 PolarHBondContact O-N 3.24Å; Q273-A277 VanDerWaalsContact O-N 3.16Å; W274-A277 CarbonylContact O-C 3.59Å; W274-A277 WeakPolarHBondContact O-CA 3.49Å; W274-A277 PolarHBondContact O-N 2.8Å; L275-A277 VanDerWaalsContact C-N 3.29Å |
| 278 | V | 84.5 | Confident | 88.5 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | trans | -67.5 | 0 | 164.9 | 173.5 | 0 | 0 | 0 | 0 | 108.3 | K68 V70 S138 K176 W274 | K68-V278 HydrophobicContact CD-CG1 4.47Å; K68-V278 WeakPolarHBondContact CD-OXT 2.89Å; K68-V278 WeakPolarHBondContact CE-OXT 3.49Å; K68-V278 PolarHBondContact NZ-O 3.44Å; K68-V278 PolarHBondContact NZ-OXT 2.92Å; V70-V278 HydrophobicContact CG2-CG1 4.11Å; S138-V278 VanDerWaalsContact CB-CG1 3.46Å; S138-V278 WeakPolarHBondContact O-CG1 3.47Å; K176-V278 HydrophobicContact CB-CG2 4.4Å; K176-V278 HydrophobicContact CD-CG2 4.28Å; W274-V278 HydrophobicContact CD2-CG2 3.93Å; W274-V278 HydrophobicContact CE3-CG2 3.64Å; W274-V278 HydrophobicContact CH2-CG2 3.56Å; W274-V278 HydrophobicContact CZ2-CG2 3.83Å; W274-V278 HydrophobicContact CZ3-CG2 3.44Å; W274-V278 VanDerWaalsContact CZ3-CG2 3.44Å; W274-V278 WeakPolarHBondContact O-CG2 3.45Å; W274-V278 PolarHBondContact O-N 2.76Å |
Retrieved 278 of 278 residues in 288.4 ms
(Link to these results)