| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.4 | Very low | 61.2 | Low | 250 Ų | 250 | 131.3 Ų | 131.3 | 100% | 1.232 | 73% | 0.732 | S | S | * | * | 0 | 93.7 | 0 | -86.8 | 175.1 | 153.5 | 0 | 0 | 109.3 | R3 | M1-R3 PolarHBondContact O-N 3.48Š| |||
| 2 | H | 43.2 | Very low | 62.7 | Low | 193 Ų | 193 | 125.2 Ų | 125.2 | 89% | 0.894 | 71% | 0.711 | S | S | * | * | trans | -87.8 | 107.5 | 178.3 | -113.9 | -49.5 | 0 | 0 | 0 | 109.8 | R4 | H2-R4 PolarHBondContact O-N 3.1Å; H2-R4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | R | 53.5 | Low | 64 | Low | 242 Ų | 242 | 128.5 Ų | 128.5 | 91% | 0.913 | 71% | 0.713 | S | S | * | * | trans | -65.3 | 104.2 | 165.2 | -87 | 178.8 | 162.9 | 172.3 | -3.9 | 108 | M1 G5 | M1-R3 PolarHBondContact O-N 3.48Å; R3-G5 PolarHBondContact O-N 3.2Å | ||
| 4 | R | 56.3 | Low | 65.4 | Low | 245 Ų | 245 | 129.1 Ų | 129.1 | 93% | 0.925 | 70% | 0.704 | S | S | * | * | trans | -64.2 | 112.8 | 166.3 | -87.3 | 177.1 | 149.1 | 162.3 | -6.5 | 108 | H2 | H2-R4 PolarHBondContact O-N 3.1Å; H2-R4 VanDerWaalsContact O-N 3.1Å | ||
| 5 | G | 58.8 | Low | 66.6 | Low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 141.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R3 G7 | R3-G5 PolarHBondContact O-N 3.2Å; G5-G7 PolarHBondContact O-N 3.24Å |
| 6 | V | 60.6 | Low | 67.7 | Low | 112 Ų | 112 | 128.4 Ų | 128.4 | 68% | 0.679 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 120.2 | 179.5 | -146.8 | 0 | 0 | 0 | 0 | 108.8 | A10 I11 | V6-A10 HydrophobicContact CG1-CB 4.23Å; V6-I11 HydrophobicContact CB-CD1 4.45Å; V6-I11 HydrophobicContact CB-CG1 4.37Å |
| 7 | G | 68.3 | Low | 68.6 | Low | 48 Ų | 48 | 123.1 Ų | 123.1 | 50% | 0.495 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 142.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | G5 G9 A10 I11 | G5-G7 PolarHBondContact O-N 3.24Å; G7-G9 PolarHBondContact O-N 2.97Å; G7-A10 WeakPolarHBondContact O-CB 3.39Å; G7-A10 PolarHBondContact O-N 3.38Å; G7-I11 PolarHBondContact O-N 3.06Å |
| 8 | A | 69.1 | Low | 69.5 | Low | 84 Ų | 84 | 122.2 Ų | 122.2 | 69% | 0.694 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -51.6 | -34.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | I11 A12 | A8-I11 PolarHBondContact O-N 2.98Å; A8-A12 PolarHBondContact O-N 3.28Å |
| 9 | G | 72.4 | Confident | 70.4 | Confident | 57 Ų | 57 | 118.8 Ų | 118.8 | 59% | 0.588 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.2 | -33.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G7 K13 | G7-G9 PolarHBondContact O-N 2.97Å; G9-K13 WeakPolarHBondContact O-CB 3.41Å; G9-K13 PolarHBondContact O-N 2.99Å |
| 10 | A | 73.3 | Confident | 71.2 | Confident | 56 Ų | 56 | 119.1 Ų | 119.1 | 46% | 0.463 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71 | -35.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V6 G7 K14 | V6-A10 HydrophobicContact CG1-CB 4.23Å; G7-A10 WeakPolarHBondContact O-CB 3.39Å; G7-A10 PolarHBondContact O-N 3.38Å; A10-K14 WeakPolarHBondContact O-CB 3.32Å; A10-K14 PolarHBondContact O-N 2.86Å |
| 11 | I | 76.4 | Confident | 71.9 | Confident | 86 Ų | 86 | 122 Ų | 122 | 44% | 0.441 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.2 | -44.4 | 174.6 | -62.6 | 170.7 | 0 | 0 | 0 | 110.6 | V6 G7 A8 K14 K15 | V6-I11 HydrophobicContact CB-CD1 4.45Å; V6-I11 HydrophobicContact CB-CG1 4.37Å; G7-I11 PolarHBondContact O-N 3.06Å; A8-I11 PolarHBondContact O-N 2.98Å; I11-K14 PolarHBondContact O-N 3.37Å; I11-K15 PolarHBondContact O-N 2.95Å |
| 12 | A | 78.6 | Confident | 74.1 | Confident | 58 Ų | 58 | 117.7 Ų | 117.7 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.1 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A8 K14 K15 L16 | A8-A12 PolarHBondContact O-N 3.28Å; A12-K14 VanDerWaalsContact C-N 3.35Å; A12-K14 PolarHBondContact O-N 3Å; A12-K15 PolarHBondContact O-N 2.9Å; A12-L16 WeakPolarHBondContact O-CB 3.33Å; A12-L16 PolarHBondContact O-N 3.41Å |
| 13 | K | 80.8 | Confident | 76.2 | Confident | 169 Ų | 169 | 114.6 Ų | 114.6 | 74% | 0.735 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.3 | -37.5 | 177.4 | -158.3 | 175.2 | -173.5 | -179.9 | 0 | 112 | G9 A17 | G9-K13 WeakPolarHBondContact O-CB 3.41Å; G9-K13 PolarHBondContact O-N 2.99Å; K13-A17 WeakPolarHBondContact O-CB 3.38Å; K13-A17 PolarHBondContact O-N 3.48Å |
| 14 | K | 82.6 | Confident | 77.8 | Confident | 136 Ų | 136 | 112.6 Ų | 112.6 | 59% | 0.591 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.7 | -47 | 174.1 | -173.2 | 178.2 | 175.4 | -175.5 | 0 | 112 | A10 I11 A12 L16 A17 E18 | A10-K14 WeakPolarHBondContact O-CB 3.32Å; A10-K14 PolarHBondContact O-N 2.86Å; I11-K14 PolarHBondContact O-N 3.37Å; A12-K14 VanDerWaalsContact C-N 3.35Å; A12-K14 PolarHBondContact O-N 3Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 2.96Å; K14-A17 PolarHBondContact O-N 3.39Å; K14-E18 WeakPolarHBondContact CE-OE1 3.4Å; K14-E18 PolarHBondContact O-N 3.38Å |
| 15 | K | 83.4 | Confident | 79.3 | Confident | 145 Ų | 145 | 102.8 Ų | 102.8 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.7 | -41.1 | 175.4 | -82.3 | -172 | 174.2 | -174.8 | 0 | 112.6 | I11 A12 E18 A19 | I11-K15 PolarHBondContact O-N 2.95Å; A12-K15 PolarHBondContact O-N 2.9Å; K15-E18 PolarHBondContact O-N 2.94Å; K15-A19 WeakPolarHBondContact O-CB 3Å; K15-A19 PolarHBondContact O-N 3.43Å |
| 16 | L | 84.3 | Confident | 80.7 | Confident | 103 Ų | 103 | 102.7 Ų | 102.7 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.9 | -34.6 | 179.2 | -161.9 | 142.8 | 0 | 0 | 0 | 111.9 | A12 K14 K20 | A12-L16 WeakPolarHBondContact O-CB 3.33Å; A12-L16 PolarHBondContact O-N 3.41Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 2.96Å; L16-K20 HydrophobicContact CD2-CD 4.06Å; L16-K20 WeakPolarHBondContact O-CG 3.44Å; L16-K20 PolarHBondContact O-N 3.38Å; L16-K20 VanDerWaalsContact O-N 3.12Å |
| 17 | A | 83.3 | Confident | 82 | Confident | 37 Ų | 37 | 100.5 Ų | 100.5 | 31% | 0.306 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.6 | -47.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K13 K14 A19 K20 Y21 | K13-A17 WeakPolarHBondContact O-CB 3.38Å; K13-A17 PolarHBondContact O-N 3.48Å; K14-A17 PolarHBondContact O-N 3.39Å; A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.24Å; A17-K20 PolarHBondContact O-N 2.86Å; A17-Y21 HydrophobicContact CB-CD2 4.38Å; A17-Y21 HydrophobicContact CB-CE2 4.16Å; A17-Y21 WeakPolarHBondContact O-CD2 3.45Å; A17-Y21 PolarHBondContact O-N 3.17Å |
| 18 | E | 84.8 | Confident | 83 | Confident | 107 Ų | 107 | 103.2 Ų | 103.2 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.5 | -42 | 175.6 | -78.8 | 171.3 | -178.6 | 0 | 0 | 112.2 | K14 K15 Y21 K22 | K14-E18 WeakPolarHBondContact CE-OE1 3.4Å; K14-E18 PolarHBondContact O-N 3.38Å; K15-E18 PolarHBondContact O-N 2.94Å; E18-Y21 PolarHBondContact O-N 3.12Å; E18-K22 WeakPolarHBondContact O-CB 3.21Å; E18-K22 PolarHBondContact O-N 2.93Å |
| 19 | A | 86.1 | Confident | 83.8 | Confident | 59 Ų | 59 | 101.3 Ų | 101.3 | 49% | 0.488 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K15 A17 K22 E23 | K15-A19 WeakPolarHBondContact O-CB 3Å; K15-A19 PolarHBondContact O-N 3.43Å; A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.24Å; A19-K22 PolarHBondContact O-N 2.94Å; A19-E23 WeakPolarHBondContact O-CB 3.44Å; A19-E23 PolarHBondContact O-N 2.93Å |
| 20 | K | 86.1 | Confident | 84.6 | Confident | 124 Ų | 124 | 104.3 Ų | 104.3 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | 176.7 | -75.4 | -177.1 | 175.8 | -175.5 | 0 | 113.2 | L16 A17 R24 | L16-K20 HydrophobicContact CD2-CD 4.06Å; L16-K20 WeakPolarHBondContact O-CG 3.44Å; L16-K20 PolarHBondContact O-N 3.38Å; L16-K20 VanDerWaalsContact O-N 3.12Å; A17-K20 PolarHBondContact O-N 2.86Å; K20-R24 WeakPolarHBondContact O-CB 3.41Å; K20-R24 PolarHBondContact O-N 3.28Å |
| 21 | Y | 86 | Confident | 85.5 | Confident | 179 Ų | 179 | 106.3 Ų | 106.3 | 70% | 0.702 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.8 | -39.3 | 174.1 | -76 | -63.2 | 0 | 0 | 0 | 111.4 | A17 E18 G25 | A17-Y21 HydrophobicContact CB-CD2 4.38Å; A17-Y21 HydrophobicContact CB-CE2 4.16Å; A17-Y21 WeakPolarHBondContact O-CD2 3.45Å; A17-Y21 PolarHBondContact O-N 3.17Å; E18-Y21 PolarHBondContact O-N 3.12Å; Y21-G25 PolarHBondContact O-N 2.87Å |
| 22 | K | 88.6 | Confident | 86.1 | Confident | 161 Ų | 161 | 107.6 Ų | 107.6 | 70% | 0.7 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 175.8 | -168.3 | 177.9 | -179.3 | -177.5 | 0 | 111.5 | E18 A19 G25 T26 | E18-K22 WeakPolarHBondContact O-CB 3.21Å; E18-K22 PolarHBondContact O-N 2.93Å; A19-K22 PolarHBondContact O-N 2.94Å; K22-G25 WeakPolarHBondContact O-CA 3.37Å; K22-G25 PolarHBondContact O-N 3.27Å; K22-G25 VanDerWaalsContact O-N 3.16Å; K22-T26 PolarHBondContact O-N 3.4Å |
| 23 | E | 87.8 | Confident | 86.5 | Confident | 127 Ų | 127 | 110 Ų | 110 | 59% | 0.593 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 176.6 | -174.2 | -177.8 | -169.3 | 0 | 0 | 112.2 | A19 G25 T26 V27 | A19-E23 WeakPolarHBondContact O-CB 3.44Å; A19-E23 PolarHBondContact O-N 2.93Å; E23-G25 VanDerWaalsContact C-N 3.27Å; E23-G25 PolarHBondContact O-N 3.1Å; E23-T26 PolarHBondContact O-N 2.98Å; E23-T26 PolarHBondContact O-OG1 2.93Å; E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 3.44Å |
| 24 | R | 86.9 | Confident | 87.1 | Confident | 200 Ų | 200 | 106.7 Ų | 106.7 | 76% | 0.755 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.7 | -33.6 | 172.6 | -78.7 | -166.4 | 173.8 | -155.5 | -1.7 | 112.7 | K20 L28 | K20-R24 WeakPolarHBondContact O-CB 3.41Å; K20-R24 PolarHBondContact O-N 3.28Å; R24-L28 WeakPolarHBondContact O-CB 3.36Å; R24-L28 PolarHBondContact O-N 2.8Å |
| 25 | G | 87.6 | Confident | 87.4 | Confident | 39 Ų | 39 | 105.9 Ų | 105.9 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y21 K22 E23 A29 | Y21-G25 PolarHBondContact O-N 2.87Å; K22-G25 WeakPolarHBondContact O-CA 3.37Å; K22-G25 PolarHBondContact O-N 3.27Å; K22-G25 VanDerWaalsContact O-N 3.16Å; E23-G25 VanDerWaalsContact C-N 3.27Å; E23-G25 PolarHBondContact O-N 3.1Å; G25-A29 WeakPolarHBondContact O-CB 3.48Å; G25-A29 PolarHBondContact O-N 3.16Å; G25-A29 VanDerWaalsContact O-N 3.1Å |
| 26 | T | 88 | Confident | 87.5 | Confident | 69 Ų | 69 | 104.7 Ų | 104.7 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.6 | -43.7 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | K22 E23 L28 A29 E30 | K22-T26 PolarHBondContact O-N 3.4Å; E23-T26 PolarHBondContact O-N 2.98Å; E23-T26 PolarHBondContact O-OG1 2.93Å; T26-L28 VanDerWaalsContact C-N 3.35Å; T26-L28 PolarHBondContact O-N 3.02Å; T26-A29 PolarHBondContact O-N 3.36Å; T26-E30 WeakPolarHBondContact O-CG 3.48Å; T26-E30 PolarHBondContact O-N 3.25Å |
| 27 | V | 87.4 | Confident | 87.6 | Confident | 67 Ų | 67 | 102.4 Ų | 102.4 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | E23 A29 E30 D31 | E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 3.44Å; V27-A29 VanDerWaalsContact C-N 3.31Å; V27-A29 PolarHBondContact O-N 3.38Å; V27-E30 PolarHBondContact O-N 2.91Å; V27-D31 WeakPolarHBondContact O-CB 3.49Å; V27-D31 PolarHBondContact O-N 3.05Å |
| 28 | L | 88.8 | Confident | 87.9 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 177 | -175.2 | 66.4 | 0 | 0 | 0 | 112.3 | R24 T26 Q32 | R24-L28 WeakPolarHBondContact O-CB 3.36Å; R24-L28 PolarHBondContact O-N 2.8Å; T26-L28 VanDerWaalsContact C-N 3.35Å; T26-L28 PolarHBondContact O-N 3.02Å; L28-Q32 WeakPolarHBondContact O-CB 3.48Å; L28-Q32 WeakPolarHBondContact O-CG 3.4Å; L28-Q32 PolarHBondContact O-N 3.2Å |
| 29 | A | 87.3 | Confident | 87.9 | Confident | 44 Ų | 44 | 108.1 Ų | 108.1 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G25 T26 V27 Q32 I33 | G25-A29 WeakPolarHBondContact O-CB 3.48Å; G25-A29 PolarHBondContact O-N 3.16Å; G25-A29 VanDerWaalsContact O-N 3.1Å; T26-A29 PolarHBondContact O-N 3.36Å; V27-A29 VanDerWaalsContact C-N 3.31Å; V27-A29 PolarHBondContact O-N 3.38Å; A29-Q32 PolarHBondContact O-N 2.86Å; A29-I33 VanDerWaalsContact O-CG1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.35Å; A29-I33 PolarHBondContact O-N 3.43Å |
| 30 | E | 89.3 | Confident | 87.6 | Confident | 120 Ų | 120 | 109.9 Ų | 109.9 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.8 | -46.7 | 174.4 | -74.3 | 172.8 | 178.8 | 0 | 0 | 111.3 | T26 V27 Q32 I33 V34 | T26-E30 WeakPolarHBondContact O-CG 3.48Å; T26-E30 PolarHBondContact O-N 3.25Å; V27-E30 PolarHBondContact O-N 2.91Å; E30-Q32 VanDerWaalsContact C-N 3.3Å; E30-Q32 PolarHBondContact O-N 2.85Å; E30-I33 PolarHBondContact O-N 3Å; E30-I33 VanDerWaalsContact O-N 3.14Å; E30-V34 WeakPolarHBondContact O-CG2 3.32Å; E30-V34 PolarHBondContact O-N 3.14Å |
| 31 | D | 91.2 | Very high | 87.4 | Confident | 99 Ų | 99 | 110.5 Ų | 110.5 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 176.2 | -76 | -19.9 | 0 | 0 | 0 | 111.7 | V27 V34 Q35 | V27-D31 WeakPolarHBondContact O-CB 3.49Å; V27-D31 PolarHBondContact O-N 3.05Å; D31-V34 PolarHBondContact O-N 3.4Å; D31-Q35 WeakPolarHBondContact O-CB 3.39Å; D31-Q35 PolarHBondContact O-N 2.95Å |
| 32 | Q | 88.6 | Confident | 87.5 | Confident | 113 Ų | 113 | 105.6 Ų | 105.6 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174.7 | -80.4 | -179.2 | -7.7 | 0 | 0 | 112.3 | L28 A29 E30 Q35 M36 | L28-Q32 WeakPolarHBondContact O-CB 3.48Å; L28-Q32 WeakPolarHBondContact O-CG 3.4Å; L28-Q32 PolarHBondContact O-N 3.2Å; A29-Q32 PolarHBondContact O-N 2.86Å; E30-Q32 VanDerWaalsContact C-N 3.3Å; E30-Q32 PolarHBondContact O-N 2.85Å; Q32-Q35 PolarHBondContact O-N 3.35Å; Q32-M36 WeakPolarHBondContact O-CB 3.42Å; Q32-M36 VanDerWaalsContact O-CG 3.31Å; Q32-M36 WeakPolarHBondContact O-CG 3.31Å; Q32-M36 PolarHBondContact O-N 2.91Å |
| 33 | I | 88.6 | Confident | 87 | Confident | 108 Ų | 108 | 102 Ų | 102 | 55% | 0.554 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -42.1 | 178.1 | -70.3 | 165.9 | 0 | 0 | 0 | 111 | A29 E30 M36 S37 | A29-I33 VanDerWaalsContact O-CG1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.35Å; A29-I33 PolarHBondContact O-N 3.43Å; E30-I33 PolarHBondContact O-N 3Å; E30-I33 VanDerWaalsContact O-N 3.14Å; I33-M36 PolarHBondContact O-N 3.18Å; I33-S37 WeakPolarHBondContact O-CB 3.45Å; I33-S37 PolarHBondContact O-N 3.43Å; I33-S37 PolarHBondContact O-OG 3.05Å |
| 34 | V | 92 | Very high | 86.5 | Confident | 99 Ų | 99 | 101.3 Ų | 101.3 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -44.4 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | E30 D31 S37 K38 | E30-V34 WeakPolarHBondContact O-CG2 3.32Å; E30-V34 PolarHBondContact O-N 3.14Å; D31-V34 PolarHBondContact O-N 3.4Å; V34-S37 PolarHBondContact O-N 3.42Å; V34-K38 PolarHBondContact O-N 3.36Å |
| 35 | Q | 90 | Very high | 86.4 | Confident | 120 Ų | 120 | 95 Ų | 95 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -43.8 | 177 | -173.8 | 179.7 | -10 | 0 | 0 | 111.9 | D31 Q32 K38 Q39 | D31-Q35 WeakPolarHBondContact O-CB 3.39Å; D31-Q35 PolarHBondContact O-N 2.95Å; Q32-Q35 PolarHBondContact O-N 3.35Å; Q35-K38 PolarHBondContact O-N 2.9Å; Q35-Q39 WeakPolarHBondContact O-CG 3.4Å; Q35-Q39 PolarHBondContact O-N 3.49Å |
| 36 | M | 85.9 | Confident | 86.3 | Confident | 119 Ų | 119 | 97.2 Ų | 97.2 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 176.1 | -77.1 | -175.8 | 69.2 | 0 | 0 | 111.8 | Q32 I33 K38 Q39 L40 | Q32-M36 WeakPolarHBondContact O-CB 3.42Å; Q32-M36 VanDerWaalsContact O-CG 3.31Å; Q32-M36 WeakPolarHBondContact O-CG 3.31Å; Q32-M36 PolarHBondContact O-N 2.91Å; I33-M36 PolarHBondContact O-N 3.18Å; M36-K38 VanDerWaalsContact C-N 3.33Å; M36-K38 PolarHBondContact O-N 2.91Å; M36-Q39 PolarHBondContact O-N 2.78Å; M36-L40 WeakPolarHBondContact O-CG 3.44Å; M36-L40 PolarHBondContact O-N 3.02Å |
| 37 | S | 86.3 | Confident | 85.9 | Confident | 56 Ų | 56 | 94.2 Ų | 94.2 | 39% | 0.392 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 177 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | I33 V34 Q39 L40 E41 | I33-S37 WeakPolarHBondContact O-CB 3.45Å; I33-S37 PolarHBondContact O-N 3.43Å; I33-S37 PolarHBondContact O-OG 3.05Å; V34-S37 PolarHBondContact O-N 3.42Å; S37-Q39 VanDerWaalsContact C-N 3.34Å; S37-Q39 PolarHBondContact O-N 3.4Å; S37-L40 PolarHBondContact O-N 3.4Å; S37-E41 PolarHBondContact O-N 3.37Å |
| 38 | K | 88.9 | Confident | 85.6 | Confident | 146 Ų | 146 | 93 Ų | 93 | 64% | 0.635 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.3 | -38.6 | 176.5 | -172.6 | 176.5 | -178.3 | 178.4 | 0 | 112.8 | V34 Q35 M36 E41 T42 | V34-K38 PolarHBondContact O-N 3.36Å; Q35-K38 PolarHBondContact O-N 2.9Å; M36-K38 VanDerWaalsContact C-N 3.33Å; M36-K38 PolarHBondContact O-N 2.91Å; K38-E41 PolarHBondContact O-N 3.42Å; K38-T42 PolarHBondContact O-N 2.81Å; K38-T42 PolarHBondContact O-OG1 3.03Å |
| 39 | Q | 85 | Confident | 85.4 | Confident | 117 Ų | 117 | 94 Ų | 94 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 175.3 | -75.4 | -178.4 | -22.4 | 0 | 0 | 111.5 | Q35 M36 S37 T42 F43 | Q35-Q39 WeakPolarHBondContact O-CG 3.4Å; Q35-Q39 PolarHBondContact O-N 3.49Å; M36-Q39 PolarHBondContact O-N 2.78Å; S37-Q39 VanDerWaalsContact C-N 3.34Å; S37-Q39 PolarHBondContact O-N 3.4Å; Q39-T42 PolarHBondContact O-N 2.88Å; Q39-F43 VanDerWaalsContact O-CB 3.27Å; Q39-F43 WeakPolarHBondContact O-CB 3.32Å; Q39-F43 PolarHBondContact O-N 3.4Å |
| 40 | L | 79.9 | Confident | 85.3 | Confident | 97 Ų | 97 | 95.1 Ų | 95.1 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 175.6 | -73.1 | 172.3 | 0 | 0 | 0 | 112.1 | M36 S37 F43 K44 I75 | M36-L40 WeakPolarHBondContact O-CG 3.44Å; M36-L40 PolarHBondContact O-N 3.02Å; S37-L40 PolarHBondContact O-N 3.4Å; L40-F43 PolarHBondContact O-N 2.78Å; L40-K44 VanDerWaalsContact O-CB 3.32Å; L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 PolarHBondContact O-N 2.83Å; L40-I75 HydrophobicContact CD2-CG2 4.01Å |
| 41 | E | 82.5 | Confident | 85 | Confident | 137 Ų | 137 | 89.4 Ų | 89.4 | 64% | 0.64 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 175.9 | -75.3 | 178.4 | 173.6 | 0 | 0 | 112.3 | S37 K38 F43 K44 S45 | S37-E41 PolarHBondContact O-N 3.37Å; K38-E41 PolarHBondContact O-N 3.42Å; E41-F43 VanDerWaalsContact C-N 3.28Å; E41-F43 PolarHBondContact O-N 3.22Å; E41-K44 PolarHBondContact O-N 3.24Å; E41-S45 PolarHBondContact O-N 2.99Å |
| 42 | T | 86.5 | Confident | 84.6 | Confident | 75 Ų | 75 | 87.5 Ų | 87.5 | 46% | 0.46 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 176.9 | -52.8 | 0 | 0 | 0 | 0 | 110.3 | K38 Q39 S45 N46 | K38-T42 PolarHBondContact O-N 2.81Å; K38-T42 PolarHBondContact O-OG1 3.03Å; Q39-T42 PolarHBondContact O-N 2.88Å; T42-S45 PolarHBondContact O-N 3Å; T42-N46 PolarHBondContact O-N 3.37Å; T42-N46 PolarHBondContact O-ND2 3.48Å; T42-N46 PolarHBondContact O-OD1 3.29Å |
| 43 | F | 79.1 | Confident | 84.7 | Confident | 86 Ų | 86 | 90 Ų | 90 | 38% | 0.377 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 179.5 | -163.1 | -76.8 | 0 | 0 | 0 | 111.9 | Q39 L40 E41 S45 N46 L47 I75 | Q39-F43 VanDerWaalsContact O-CB 3.27Å; Q39-F43 WeakPolarHBondContact O-CB 3.32Å; Q39-F43 PolarHBondContact O-N 3.4Å; L40-F43 PolarHBondContact O-N 2.78Å; E41-F43 VanDerWaalsContact C-N 3.28Å; E41-F43 PolarHBondContact O-N 3.22Å; F43-S45 PolarHBondContact O-N 3.15Å; F43-N46 PolarHBondContact O-N 3.2Å; F43-L47 HydrophobicContact CD1-CB 4.43Å; F43-L47 HydrophobicContact CD1-CD1 4.38Å; F43-L47 HydrophobicContact CE1-CB 4.21Å; F43-L47 HydrophobicContact CE1-CD1 3.68Å; F43-L47 HydrophobicContact CE1-CG 4.47Å; F43-L47 WeakPolarHBondContact O-CB 3.16Å; F43-L47 PolarHBondContact O-N 3.41Å; F43-I75 HydrophobicContact CD1-CD1 3.57Å; F43-I75 HydrophobicContact CD1-CG1 4.27Å; F43-I75 HydrophobicContact CD1-CG2 4.5Å; F43-I75 HydrophobicContact CE1-CD1 2.99Å; F43-I75 HydrophobicContact CE1-CG1 3.97Å; F43-I75 HydrophobicContact CZ-CD1 3.62Å; F43-I75 HydrophobicContact CZ-CG1 4.37Å |
| 44 | K | 77.7 | Confident | 84.6 | Confident | 113 Ų | 113 | 86.7 Ų | 86.7 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -55.8 | -52.1 | 174.7 | -178.5 | -179 | 169.5 | -173.2 | 0 | 110 | L40 E41 N46 L47 E48 | L40-K44 VanDerWaalsContact O-CB 3.32Å; L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 PolarHBondContact O-N 2.83Å; E41-K44 PolarHBondContact O-N 3.24Å; K44-N46 VanDerWaalsContact C-N 3.29Å; K44-N46 PolarHBondContact O-N 3.04Å; K44-L47 PolarHBondContact O-N 3.46Å; K44-L47 VanDerWaalsContact O-N 3.11Å; K44-E48 WeakPolarHBondContact CE-OE1 3.3Å; K44-E48 HydrophobicContact CG-CG 4.34Å; K44-E48 IonicContact NZ-OE1 3.87Å; K44-E48 WeakPolarHBondContact O-CB 3.46Å; K44-E48 VanDerWaalsContact O-CG 3.24Å; K44-E48 WeakPolarHBondContact O-CG 3.24Å; K44-E48 PolarHBondContact O-N 3.35Å |
| 45 | S | 83.1 | Confident | 84.3 | Confident | 68 Ų | 68 | 84.8 Ų | 84.8 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54.8 | -43.5 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | E41 T42 F43 E48 E49 | E41-S45 PolarHBondContact O-N 2.99Å; T42-S45 PolarHBondContact O-N 3Å; F43-S45 PolarHBondContact O-N 3.15Å; S45-E48 PolarHBondContact O-N 2.86Å; S45-E49 PolarHBondContact O-N 3.11Å |
| 46 | N | 86.1 | Confident | 84.1 | Confident | 85 Ų | 85 | 84.2 Ų | 84.2 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 178.9 | -66.5 | -16 | 0 | 0 | 0 | 112.2 | T42 F43 K44 E48 E49 F50 | T42-N46 PolarHBondContact O-N 3.37Å; T42-N46 PolarHBondContact O-ND2 3.48Å; T42-N46 PolarHBondContact O-OD1 3.29Å; F43-N46 PolarHBondContact O-N 3.2Å; K44-N46 VanDerWaalsContact C-N 3.29Å; K44-N46 PolarHBondContact O-N 3.04Å; N46-E48 VanDerWaalsContact C-N 3.31Å; N46-E49 PolarHBondContact O-N 3.29Å; N46-F50 VanDerWaalsContact O-CB 3.3Å; N46-F50 WeakPolarHBondContact O-CB 3.27Å; N46-F50 PolarHBondContact O-N 3Å |
| 47 | L | 80.9 | Confident | 84.1 | Confident | 6 Ų | 6 | 83.1 Ų | 83.1 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.4 | -35.7 | 177 | -158.4 | 154.1 | 0 | 0 | 0 | 110.3 | F43 K44 F50 A51 F68 M71 I75 W87 | F43-L47 HydrophobicContact CD1-CB 4.43Å; F43-L47 HydrophobicContact CD1-CD1 4.38Å; F43-L47 HydrophobicContact CE1-CB 4.21Å; F43-L47 HydrophobicContact CE1-CD1 3.68Å; F43-L47 HydrophobicContact CE1-CG 4.47Å; F43-L47 WeakPolarHBondContact O-CB 3.16Å; F43-L47 PolarHBondContact O-N 3.41Å; K44-L47 PolarHBondContact O-N 3.46Å; K44-L47 VanDerWaalsContact O-N 3.11Å; L47-F50 PolarHBondContact O-N 3.01Å; L47-A51 VanDerWaalsContact O-CB 3.27Å; L47-A51 WeakPolarHBondContact O-CB 3.48Å; L47-A51 PolarHBondContact O-N 2.97Å; L47-F68 HydrophobicContact CD2-CE2 3.55Å; L47-F68 HydrophobicContact CD2-CZ 3.74Å; L47-F68 HydrophobicContact CG-CE2 4.39Å; L47-M71 HydrophobicContact CD1-CG 4.33Å; L47-M71 HydrophobicContact CD1-SD 4.26Å; L47-I75 HydrophobicContact CD1-CD1 3.78Å; L47-W87 HydrophobicContact CB-CH2 3.92Å; L47-W87 HydrophobicContact CD2-CE3 4.19Å; L47-W87 HydrophobicContact CD2-CH2 3Å; L47-W87 HydrophobicContact CD2-CZ2 3.67Å; L47-W87 HydrophobicContact CD2-CZ3 3.3Å; L47-W87 HydrophobicContact CG-CH2 4Å |
| 48 | E | 79.3 | Confident | 84.1 | Confident | 40 Ų | 40 | 80.5 Ų | 80.5 | 19% | 0.187 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 175.1 | -71.3 | -172.6 | 177.3 | 0 | 0 | 110.9 | K44 S45 N46 A51 S52 F86 W87 | K44-E48 WeakPolarHBondContact CE-OE1 3.3Å; K44-E48 HydrophobicContact CG-CG 4.34Å; K44-E48 IonicContact NZ-OE1 3.87Å; K44-E48 WeakPolarHBondContact O-CB 3.46Å; K44-E48 VanDerWaalsContact O-CG 3.24Å; K44-E48 WeakPolarHBondContact O-CG 3.24Å; K44-E48 PolarHBondContact O-N 3.35Å; S45-E48 PolarHBondContact O-N 2.86Å; N46-E48 VanDerWaalsContact C-N 3.31Å; E48-A51 PolarHBondContact O-N 3.31Å; E48-S52 WeakPolarHBondContact O-CB 3.4Å; E48-S52 PolarHBondContact O-N 3.07Å; E48-F86 HydrophobicContact CB-CD1 4.26Å; E48-F86 HydrophobicContact CB-CE1 3.43Å; E48-F86 VanDerWaalsContact CB-CE1 3.43Å; E48-F86 HydrophobicContact CB-CE2 4.39Å; E48-F86 HydrophobicContact CB-CZ 3.49Å; E48-F86 VanDerWaalsContact CB-CZ 3.49Å; E48-F86 HydrophobicContact CG-CD1 3.49Å; E48-F86 VanDerWaalsContact CG-CD1 3.49Å; E48-F86 HydrophobicContact CG-CD2 4.48Å; E48-F86 HydrophobicContact CG-CE1 3.19Å; E48-F86 HydrophobicContact CG-CE2 4.2Å; E48-F86 HydrophobicContact CG-CG 4.16Å; E48-F86 HydrophobicContact CG-CZ 3.57Å; E48-F86 WeakPolarHBondContact OE1-CG 3.36Å; E48-W87 HydrophobicContact CB-CH2 4.15Å; E48-W87 HydrophobicContact CG-CH2 3.44Å; E48-W87 VanDerWaalsContact CG-CH2 3.44Å; E48-W87 HydrophobicContact CG-CZ2 3.91Å; E48-W87 HydrophobicContact CG-CZ3 4.08Å |
| 49 | E | 85.8 | Confident | 83.8 | Confident | 127 Ų | 127 | 77 Ų | 77 | 59% | 0.593 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.6 | -48.3 | 175 | -172.9 | -178.8 | 172.6 | 0 | 0 | 111.3 | S45 N46 A51 S52 K53 | S45-E49 PolarHBondContact O-N 3.11Å; N46-E49 PolarHBondContact O-N 3.29Å; E49-A51 VanDerWaalsContact C-N 3.34Å; E49-A51 PolarHBondContact O-N 3.48Å; E49-S52 PolarHBondContact O-N 3.45Å; E49-S52 PolarHBondContact O-OG 3.44Å; E49-K53 WeakPolarHBondContact O-CB 3.41Å; E49-K53 PolarHBondContact O-N 3.29Å |
| 50 | F | 85.3 | Confident | 83.8 | Confident | 67 Ų | 67 | 78.8 Ų | 78.8 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.4 | -50.1 | 177.1 | 179.1 | -93.9 | 0 | 0 | 0 | 111.3 | N46 L47 S52 K53 H54 F64 F68 | N46-F50 VanDerWaalsContact O-CB 3.3Å; N46-F50 WeakPolarHBondContact O-CB 3.27Å; N46-F50 PolarHBondContact O-N 3Å; L47-F50 PolarHBondContact O-N 3.01Å; F50-S52 VanDerWaalsContact C-N 3.31Å; F50-S52 PolarHBondContact O-N 3.38Å; F50-K53 PolarHBondContact O-N 3.41Å; F50-H54 AromaticContact CD2-CD2 3.64Å; F50-H54 AromaticContact CE2-CD2 3.54Å; F50-H54 AromaticContact CE2-NE2 3.79Å; F50-H54 AromaticContact CZ-CD2 3.92Å; F50-H54 PolarHBondContact O-CD2 3.47Å; F50-H54 VanDerWaalsContact O-CD2 3.25Å; F50-H54 PolarHBondContact O-N 2.86Å; F50-F64 HydrophobicContact CE1-CE1 4.47Å; F50-F64 AromaticContact CE1-CZ 3.88Å; F50-F64 HydrophobicContact CE1-CZ 3.88Å; F50-F64 HydrophobicContact CZ-CE2 4.23Å; F50-F64 AromaticContact CZ-CZ 3.63Å; F50-F64 HydrophobicContact CZ-CZ 3.63Å; F50-F68 HydrophobicContact CD1-CD2 4.17Å; F50-F68 HydrophobicContact CD1-CE2 4.27Å; F50-F68 HydrophobicContact CE1-CD2 4.06Å |
| 51 | A | 82.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.3 | -35.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L47 E48 E49 K53 H54 K55 I58 F68 W87 L91 | L47-A51 VanDerWaalsContact O-CB 3.27Å; L47-A51 WeakPolarHBondContact O-CB 3.48Å; L47-A51 PolarHBondContact O-N 2.97Å; E48-A51 PolarHBondContact O-N 3.31Å; E49-A51 VanDerWaalsContact C-N 3.34Å; E49-A51 PolarHBondContact O-N 3.48Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.28Å; A51-H54 CarbonylContact O-C 3.54Å; A51-H54 PolarHBondContact O-N 3.25Å; A51-K55 WeakPolarHBondContact O-CA 3.27Å; A51-K55 PolarHBondContact O-N 3.1Å; A51-I58 HydrophobicContact CB-CD1 4.23Å; A51-F68 HydrophobicContact CB-CE2 3.67Å; A51-F68 HydrophobicContact CB-CZ 3.69Å; A51-W87 HydrophobicContact CB-CE3 4.36Å; A51-W87 HydrophobicContact CB-CZ3 3.81Å; A51-L91 HydrophobicContact CB-CD1 3.55Å; A51-L91 HydrophobicContact CB-CD2 3.47Å; A51-L91 VanDerWaalsContact CB-CD2 3.47Å; A51-L91 HydrophobicContact CB-CG 4.06Å; A51-L91 WeakPolarHBondContact O-CD2 3.49Å |
| 52 | S | 83.1 | Confident | 84.4 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 174.5 | 79.7 | 0 | 0 | 0 | 0 | 111.9 | E48 E49 F50 | E48-S52 WeakPolarHBondContact O-CB 3.4Å; E48-S52 PolarHBondContact O-N 3.07Å; E49-S52 PolarHBondContact O-N 3.45Å; E49-S52 PolarHBondContact O-OG 3.44Å; F50-S52 VanDerWaalsContact C-N 3.31Å; F50-S52 PolarHBondContact O-N 3.38Å |
| 53 | K | 89.8 | Confident | 84.6 | Confident | 165 Ų | 165 | 74.1 Ų | 74.1 | 72% | 0.717 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.7 | -39.1 | 179.9 | -172.3 | 177.4 | -178.6 | -179.8 | 0 | 112.2 | E49 F50 A51 | E49-K53 WeakPolarHBondContact O-CB 3.41Å; E49-K53 PolarHBondContact O-N 3.29Å; F50-K53 PolarHBondContact O-N 3.41Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.28Å |
| 54 | H | 87.8 | Confident | 85.1 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 18% | 0.181 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 14.7 | -176 | -64.4 | -83.9 | 0 | 0 | 0 | 113.6 | F50 A51 Q56 E57 I58 F64 | F50-H54 AromaticContact CD2-CD2 3.64Å; F50-H54 AromaticContact CE2-CD2 3.54Å; F50-H54 AromaticContact CE2-NE2 3.79Å; F50-H54 AromaticContact CZ-CD2 3.92Å; F50-H54 PolarHBondContact O-CD2 3.47Å; F50-H54 VanDerWaalsContact O-CD2 3.25Å; F50-H54 PolarHBondContact O-N 2.86Å; A51-H54 CarbonylContact O-C 3.54Å; A51-H54 PolarHBondContact O-N 3.25Å; H54-Q56 VanDerWaalsContact C-N 3.27Å; H54-Q56 PolarHBondContact O-N 2.85Å; H54-Q56 VanDerWaalsContact O-N 3.11Å; H54-E57 HydrophobicContact CB-CB 4.5Å; H54-E57 IonicContact CE1-OE2 3.99Å; H54-E57 IonicContact CG-OE2 3.62Å; H54-E57 IonicContact ND1-OE1 3.59Å; H54-E57 IonicContact ND1-OE2 3.81Å; H54-E57 PolarHBondContact ND1-OE2 3.4Å; H54-E57 WeakPolarHBondContact O-CB 3.42Å; H54-E57 PolarHBondContact O-N 3.46Å; H54-I58 WeakPolarHBondContact O-CG1 3.48Å; H54-I58 PolarHBondContact O-N 2.95Å; H54-F64 HydrophobicContact CB-CE1 3.68Å; H54-F64 HydrophobicContact CB-CZ 3.83Å |
| 55 | K | 84.6 | Confident | 85.7 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -50.1 | -42.6 | -176.2 | 178.9 | 175 | 178.2 | 167.3 | 0 | 113.9 | A51 R59 M90 L91 | A51-K55 WeakPolarHBondContact O-CA 3.27Å; A51-K55 PolarHBondContact O-N 3.1Å; K55-R59 VanDerWaalsContact CE-CZ 3.42Å; K55-R59 VanDerWaalsContact CE-NH2 3.26Å; K55-R59 WeakPolarHBondContact O-CG 3.5Å; K55-R59 PolarHBondContact O-N 2.88Å; K55-R59 VanDerWaalsContact O-N 3.08Å; K55-M90 WeakPolarHBondContact CD-O 2.97Å; K55-M90 WeakPolarHBondContact CE-O 3.44Å; K55-M90 PolarHBondContact NZ-O 2.74Å; K55-L91 HydrophobicContact CB-CD2 4.38Å; K55-L91 HydrophobicContact CG-CD2 4.46Å |
| 56 | Q | 85.3 | Confident | 85.9 | Confident | 108 Ų | 108 | 64.7 Ų | 64.7 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.9 | -32.9 | -179.3 | -63.1 | -60.9 | -25 | 0 | 0 | 112.6 | H54 R59 K60 | H54-Q56 VanDerWaalsContact C-N 3.27Å; H54-Q56 PolarHBondContact O-N 2.85Å; H54-Q56 VanDerWaalsContact O-N 3.11Å; Q56-R59 PolarHBondContact O-N 2.88Å; Q56-K60 WeakPolarHBondContact O-CB 3.5Å; Q56-K60 WeakPolarHBondContact O-CG 3.16Å; Q56-K60 PolarHBondContact O-N 2.92Å |
| 57 | E | 87.6 | Confident | 86 | Confident | 97 Ų | 97 | 66 Ų | 66 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.8 | -42.1 | 176.4 | -66.3 | 173 | -166.5 | 0 | 0 | 110.5 | H54 R59 K60 S61 F64 | H54-E57 HydrophobicContact CB-CB 4.5Å; H54-E57 IonicContact CE1-OE2 3.99Å; H54-E57 IonicContact CG-OE2 3.62Å; H54-E57 IonicContact ND1-OE1 3.59Å; H54-E57 IonicContact ND1-OE2 3.81Å; H54-E57 PolarHBondContact ND1-OE2 3.4Å; H54-E57 WeakPolarHBondContact O-CB 3.42Å; H54-E57 PolarHBondContact O-N 3.46Å; E57-R59 VanDerWaalsContact C-N 3.28Å; E57-R59 PolarHBondContact O-N 2.99Å; E57-K60 PolarHBondContact O-N 2.69Å; E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 3.22Å; E57-F64 HydrophobicContact CB-CD1 3.79Å; E57-F64 HydrophobicContact CB-CE1 3.91Å; E57-F64 HydrophobicContact CB-CG 4.42Å |
| 58 | I | 85.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 171.3 | -60.5 | 174.3 | 0 | 0 | 0 | 109.4 | A51 H54 F64 R65 F68 L91 V93 | A51-I58 HydrophobicContact CB-CD1 4.23Å; H54-I58 WeakPolarHBondContact O-CG1 3.48Å; H54-I58 PolarHBondContact O-N 2.95Å; I58-F64 HydrophobicContact CB-CD1 4.4Å; I58-F64 HydrophobicContact CD1-CE1 4.42Å; I58-F64 HydrophobicContact CG1-CD1 3.68Å; I58-F64 HydrophobicContact CG1-CE1 3.52Å; I58-R65 HydrophobicContact CG2-CG 3.87Å; I58-R65 WeakPolarHBondContact O-CD 3.3Å; I58-R65 WeakPolarHBondContact O-CG 3.48Å; I58-R65 PolarHBondContact O-NH1 3.14Å; I58-F68 HydrophobicContact CD1-CD1 4.01Å; I58-F68 HydrophobicContact CD1-CD2 4.01Å; I58-F68 HydrophobicContact CD1-CE1 4.14Å; I58-F68 HydrophobicContact CD1-CE2 4.14Å; I58-F68 HydrophobicContact CD1-CG 3.93Å; I58-F68 HydrophobicContact CD1-CZ 4.21Å; I58-F68 HydrophobicContact CG1-CG 4.41Å; I58-F68 HydrophobicContact CG2-CD1 4.48Å; I58-L91 HydrophobicContact CD1-CD1 4.39Å; I58-V93 HydrophobicContact CG2-CG1 3.87Å |
| 59 | R | 82.3 | Confident | 86.5 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.1 | -38.4 | -179.6 | -75.1 | 175.2 | 177.6 | -157.2 | -6.7 | 113.9 | K55 Q56 E57 R65 L91 Q137 | K55-R59 VanDerWaalsContact CE-CZ 3.42Å; K55-R59 VanDerWaalsContact CE-NH2 3.26Å; K55-R59 WeakPolarHBondContact O-CG 3.5Å; K55-R59 PolarHBondContact O-N 2.88Å; K55-R59 VanDerWaalsContact O-N 3.08Å; Q56-R59 PolarHBondContact O-N 2.88Å; E57-R59 VanDerWaalsContact C-N 3.28Å; E57-R59 PolarHBondContact O-N 2.99Å; R59-R65 PolarHBondContact O-NH1 3.25Å; R59-R65 VanDerWaalsContact O-NH1 3.07Å; R59-L91 VanDerWaalsContact CZ-O 3.3Å; R59-L91 PolarHBondContact NE-O 3.43Å; R59-L91 PolarHBondContact NH2-O 3.08Å; R59-Q137 WeakPolarHBondContact O-CG 3.36Å |
| 60 | K | 84.4 | Confident | 86.5 | Confident | 156 Ų | 156 | 63.3 Ų | 63.3 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -88.5 | -36.7 | -172.1 | -71.9 | -178.5 | 178.9 | -176.9 | 0 | 114 | Q56 E57 | Q56-K60 WeakPolarHBondContact O-CB 3.5Å; Q56-K60 WeakPolarHBondContact O-CG 3.16Å; Q56-K60 PolarHBondContact O-N 2.92Å; E57-K60 PolarHBondContact O-N 2.69Å |
| 61 | S | 87.8 | Confident | 86.5 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | trans | -104.2 | 113.5 | -173 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | E57 Q63 F64 R65 | E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 3.22Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 3.39Å; S61-F64 PolarHBondContact O-N 3.48Å; S61-F64 PolarHBondContact OG-N 3.43Å; S61-R65 WeakPolarHBondContact O-CG 3.41Å; S61-R65 PolarHBondContact O-N 3.45Å; S61-R65 VanDerWaalsContact O-N 3.11Å | ||
| 62 | S | 88.9 | Confident | 86.5 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 173.5 | 53 | 0 | 0 | 0 | 0 | 111.9 | F64 R65 V66 D138 | S62-F64 VanDerWaalsContact C-N 3.34Å; S62-F64 PolarHBondContact O-N 3.26Å; S62-R65 WeakPolarHBondContact O-CB 3.42Å; S62-R65 PolarHBondContact O-N 3.34Å; S62-V66 WeakPolarHBondContact O-CG2 3.35Å; S62-V66 PolarHBondContact O-N 2.94Å; S62-D138 WeakPolarHBondContact CB-OD2 3.42Å; S62-D138 PolarHBondContact OG-OD2 2.95Å |
| 63 | Q | 89.6 | Confident | 86.6 | Confident | 146 Ų | 146 | 64.1 Ų | 64.1 | 68% | 0.682 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.5 | -42.5 | 177.1 | -67.7 | -173.9 | -6.8 | 0 | 0 | 113 | S61 R65 V66 Q67 | S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 3.39Å; Q63-R65 VanDerWaalsContact C-N 3.34Å; Q63-R65 PolarHBondContact O-N 3.35Å; Q63-V66 PolarHBondContact O-N 3.47Å; Q63-Q67 PolarHBondContact O-N 2.94Å |
| 64 | F | 89.9 | Confident | 86.2 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.1 | -33.8 | 179.7 | -169.4 | -107.7 | 0 | 0 | 0 | 111.9 | F50 H54 E57 I58 S61 S62 Q67 F68 | F50-F64 HydrophobicContact CE1-CE1 4.47Å; F50-F64 AromaticContact CE1-CZ 3.88Å; F50-F64 HydrophobicContact CE1-CZ 3.88Å; F50-F64 HydrophobicContact CZ-CE2 4.23Å; F50-F64 AromaticContact CZ-CZ 3.63Å; F50-F64 HydrophobicContact CZ-CZ 3.63Å; H54-F64 HydrophobicContact CB-CE1 3.68Å; H54-F64 HydrophobicContact CB-CZ 3.83Å; E57-F64 HydrophobicContact CB-CD1 3.79Å; E57-F64 HydrophobicContact CB-CE1 3.91Å; E57-F64 HydrophobicContact CB-CG 4.42Å; I58-F64 HydrophobicContact CB-CD1 4.4Å; I58-F64 HydrophobicContact CD1-CE1 4.42Å; I58-F64 HydrophobicContact CG1-CD1 3.68Å; I58-F64 HydrophobicContact CG1-CE1 3.52Å; S61-F64 PolarHBondContact O-N 3.48Å; S61-F64 PolarHBondContact OG-N 3.43Å; S62-F64 VanDerWaalsContact C-N 3.34Å; S62-F64 PolarHBondContact O-N 3.26Å; F64-Q67 PolarHBondContact O-N 3.49Å; F64-F68 WeakPolarHBondContact O-CB 3.45Å; F64-F68 PolarHBondContact O-N 3.06Å |
| 65 | R | 89.3 | Confident | 85.7 | Confident | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 172 | -69.8 | -165.1 | -63.5 | -96.8 | -0.7 | 112.4 | I58 R59 S61 S62 Q63 Q67 F68 Q69 D138 D143 | I58-R65 HydrophobicContact CG2-CG 3.87Å; I58-R65 WeakPolarHBondContact O-CD 3.3Å; I58-R65 WeakPolarHBondContact O-CG 3.48Å; I58-R65 PolarHBondContact O-NH1 3.14Å; R59-R65 PolarHBondContact O-NH1 3.25Å; R59-R65 VanDerWaalsContact O-NH1 3.07Å; S61-R65 WeakPolarHBondContact O-CG 3.41Å; S61-R65 PolarHBondContact O-N 3.45Å; S61-R65 VanDerWaalsContact O-N 3.11Å; S62-R65 WeakPolarHBondContact O-CB 3.42Å; S62-R65 PolarHBondContact O-N 3.34Å; Q63-R65 VanDerWaalsContact C-N 3.34Å; Q63-R65 PolarHBondContact O-N 3.35Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 3.45Å; R65-F68 PolarHBondContact O-N 3.2Å; R65-Q69 VanDerWaalsContact O-CG 3.28Å; R65-Q69 WeakPolarHBondContact O-CG 3.07Å; R65-Q69 PolarHBondContact O-N 2.91Å; R65-D138 PolarHBondContact NH1-O 2.75Å; R65-D138 PolarHBondContact NH2-O 3.23Å; R65-D143 IonicContact CZ-OD1 2.69Å; R65-D143 IonicContact CZ-OD2 4Å; R65-D143 IonicContact NE-OD1 3.14Å; R65-D143 PolarHBondContact NE-OD1 2.86Å; R65-D143 IonicContact NE-OD2 3.26Å; R65-D143 IonicContact NH2-OD1 3.04Å; R65-D143 IonicContact NH2-OD2 3.67Å; R65-D143 PolarHBondContact NH2-OD2 3.4Å |
| 66 | V | 87.5 | Confident | 85.3 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 180 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | S62 Q63 F68 Q69 E70 D142 | S62-V66 WeakPolarHBondContact O-CG2 3.35Å; S62-V66 PolarHBondContact O-N 2.94Å; Q63-V66 PolarHBondContact O-N 3.47Å; V66-F68 PolarHBondContact O-N 3.06Å; V66-Q69 PolarHBondContact O-N 2.69Å; V66-Q69 VanDerWaalsContact O-N 3.14Å; V66-E70 HydrophobicContact CG1-CG 4.48Å; V66-E70 WeakPolarHBondContact O-CG 3.28Å; V66-E70 PolarHBondContact O-N 3.12Å; V66-D142 HydrophobicContact CG2-CB 4.19Å |
| 67 | Q | 88.6 | Confident | 85 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 179.4 | -67.1 | 175 | -8.3 | 0 | 0 | 112.6 | Q63 F64 R65 Q69 E70 M71 | Q63-Q67 PolarHBondContact O-N 2.94Å; F64-Q67 PolarHBondContact O-N 3.49Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 3.45Å; Q67-Q69 VanDerWaalsContact C-N 3.25Å; Q67-Q69 PolarHBondContact O-N 2.88Å; Q67-E70 PolarHBondContact O-N 2.62Å; Q67-M71 PolarHBondContact O-N 2.96Å; Q67-M71 VanDerWaalsContact O-N 3.07Å |
| 68 | F | 86.9 | Confident | 84.4 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 176.5 | 174.3 | -107.8 | 0 | 0 | 0 | 111.4 | L47 F50 A51 I58 F64 R65 V66 M71 C72 P79 W87 L91 | L47-F68 HydrophobicContact CD2-CE2 3.55Å; L47-F68 HydrophobicContact CD2-CZ 3.74Å; L47-F68 HydrophobicContact CG-CE2 4.39Å; F50-F68 HydrophobicContact CD1-CD2 4.17Å; F50-F68 HydrophobicContact CD1-CE2 4.27Å; F50-F68 HydrophobicContact CE1-CD2 4.06Å; A51-F68 HydrophobicContact CB-CE2 3.67Å; A51-F68 HydrophobicContact CB-CZ 3.69Å; I58-F68 HydrophobicContact CD1-CD1 4.01Å; I58-F68 HydrophobicContact CD1-CD2 4.01Å; I58-F68 HydrophobicContact CD1-CE1 4.14Å; I58-F68 HydrophobicContact CD1-CE2 4.14Å; I58-F68 HydrophobicContact CD1-CG 3.93Å; I58-F68 HydrophobicContact CD1-CZ 4.21Å; I58-F68 HydrophobicContact CG1-CG 4.41Å; I58-F68 HydrophobicContact CG2-CD1 4.48Å; F64-F68 WeakPolarHBondContact O-CB 3.45Å; F64-F68 PolarHBondContact O-N 3.06Å; R65-F68 PolarHBondContact O-N 3.2Å; V66-F68 PolarHBondContact O-N 3.06Å; F68-M71 WeakPolarHBondContact O-CB 3.43Å; F68-M71 PolarHBondContact O-N 3.33Å; F68-C72 PolarHBondContact O-N 3.02Å; F68-C72 VanDerWaalsContact O-N 3.1Å; F68-C72 PolarHBondContact O-SG 3.19Å; F68-P79 HydrophobicContact CE1-CB 4.49Å; F68-W87 HydrophobicContact CZ-CE3 4.24Å; F68-W87 HydrophobicContact CZ-CZ3 4.26Å; F68-L91 HydrophobicContact CE1-CD1 3.89Å; F68-L91 HydrophobicContact CZ-CD1 3.76Å |
| 69 | Q | 84.2 | Confident | 83.9 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -77.7 | -32.9 | -178.8 | -67.2 | -175.5 | 26.9 | 0 | 0 | 114 | R65 V66 Q67 M71 C72 A73 P79 Y97 R146 | R65-Q69 VanDerWaalsContact O-CG 3.28Å; R65-Q69 WeakPolarHBondContact O-CG 3.07Å; R65-Q69 PolarHBondContact O-N 2.91Å; V66-Q69 PolarHBondContact O-N 2.69Å; V66-Q69 VanDerWaalsContact O-N 3.14Å; Q67-Q69 VanDerWaalsContact C-N 3.25Å; Q67-Q69 PolarHBondContact O-N 2.88Å; Q69-M71 VanDerWaalsContact C-N 3.25Å; Q69-M71 PolarHBondContact O-N 2.95Å; Q69-C72 PolarHBondContact O-N 2.85Å; Q69-A73 WeakPolarHBondContact O-CB 3.42Å; Q69-A73 PolarHBondContact O-N 3.36Å; Q69-P79 HydrophobicContact CG-CG 4.22Å; Q69-Y97 VanDerWaalsContact NE2-CE2 3.35Å; Q69-Y97 PolarHBondContact NE2-OH 3.39Å; Q69-R146 VanDerWaalsContact CB-NH1 3.27Å |
| 70 | E | 86.4 | Confident | 83.4 | Confident | 110 Ų | 110 | 56.9 Ų | 56.9 | 51% | 0.514 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 170 | -74.1 | 175.5 | 171.5 | 0 | 0 | 111.1 | V66 Q67 A73 T74 | V66-E70 HydrophobicContact CG1-CG 4.48Å; V66-E70 WeakPolarHBondContact O-CG 3.28Å; V66-E70 PolarHBondContact O-N 3.12Å; Q67-E70 PolarHBondContact O-N 2.62Å; E70-A73 PolarHBondContact O-N 3.16Å; E70-T74 PolarHBondContact O-N 3.18Å; E70-T74 PolarHBondContact O-OG1 3.3Å |
| 71 | M | 84.3 | Confident | 82.7 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -52 | 172.7 | -170.2 | -173.3 | -55.6 | 0 | 0 | 110.9 | L47 Q67 F68 Q69 A73 T74 I75 | L47-M71 HydrophobicContact CD1-CG 4.33Å; L47-M71 HydrophobicContact CD1-SD 4.26Å; Q67-M71 PolarHBondContact O-N 2.96Å; Q67-M71 VanDerWaalsContact O-N 3.07Å; F68-M71 WeakPolarHBondContact O-CB 3.43Å; F68-M71 PolarHBondContact O-N 3.33Å; Q69-M71 VanDerWaalsContact C-N 3.25Å; Q69-M71 PolarHBondContact O-N 2.95Å; M71-A73 VanDerWaalsContact C-N 3.34Å; M71-A73 PolarHBondContact O-N 2.79Å; M71-T74 PolarHBondContact O-N 2.97Å; M71-I75 HydrophobicContact CG-CD1 4.48Å; M71-I75 WeakPolarHBondContact O-CD1 3.12Å |
| 72 | C | 83.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.3 | -45.7 | 177.1 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | F68 Q69 T74 I75 G76 V77 P79 | F68-C72 PolarHBondContact O-N 3.02Å; F68-C72 VanDerWaalsContact O-N 3.1Å; F68-C72 PolarHBondContact O-SG 3.19Å; Q69-C72 PolarHBondContact O-N 2.85Å; C72-T74 PolarHBondContact O-N 3.38Å; C72-I75 PolarHBondContact O-N 3.5Å; C72-G76 PolarHBondContact O-N 3.11Å; C72-V77 CarbonylContact C-O 3.56Å; C72-V77 HydrophobicContact CB-CB 4.44Å; C72-V77 VanDerWaalsContact CB-O 3.27Å; C72-V77 WeakPolarHBondContact CB-O 3.45Å; C72-V77 PolarHBondContact O-N 2.88Å; C72-P79 HydrophobicContact CB-CG 4.25Å |
| 73 | A | 83.9 | Confident | 79.9 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 55% | 0.554 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q69 E70 M71 I75 G76 | Q69-A73 WeakPolarHBondContact O-CB 3.42Å; Q69-A73 PolarHBondContact O-N 3.36Å; E70-A73 PolarHBondContact O-N 3.16Å; M71-A73 VanDerWaalsContact C-N 3.34Å; M71-A73 PolarHBondContact O-N 2.79Å; A73-I75 PolarHBondContact O-N 3.2Å; A73-I75 VanDerWaalsContact O-N 3.15Å; A73-G76 PolarHBondContact O-N 3.32Å |
| 74 | T | 83.1 | Confident | 78.3 | Confident | 126 Ų | 126 | 56.7 Ų | 56.7 | 77% | 0.773 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.7 | -27.5 | 177.7 | -59 | 0 | 0 | 0 | 0 | 112.3 | E70 M71 C72 | E70-T74 PolarHBondContact O-N 3.18Å; E70-T74 PolarHBondContact O-OG1 3.3Å; M71-T74 PolarHBondContact O-N 2.97Å; C72-T74 PolarHBondContact O-N 3.38Å |
| 75 | I | 76.4 | Confident | 77.1 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 28% | 0.277 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -97.3 | -8.9 | -178.1 | -54.1 | 144.2 | 0 | 0 | 0 | 111.3 | L40 F43 L47 M71 C72 A73 V77 | L40-I75 HydrophobicContact CD2-CG2 4.01Å; F43-I75 HydrophobicContact CD1-CD1 3.57Å; F43-I75 HydrophobicContact CD1-CG1 4.27Å; F43-I75 HydrophobicContact CD1-CG2 4.5Å; F43-I75 HydrophobicContact CE1-CD1 2.99Å; F43-I75 HydrophobicContact CE1-CG1 3.97Å; F43-I75 HydrophobicContact CZ-CD1 3.62Å; F43-I75 HydrophobicContact CZ-CG1 4.37Å; L47-I75 HydrophobicContact CD1-CD1 3.78Å; M71-I75 HydrophobicContact CG-CD1 4.48Å; M71-I75 WeakPolarHBondContact O-CD1 3.12Å; C72-I75 PolarHBondContact O-N 3.5Å; A73-I75 PolarHBondContact O-N 3.2Å; A73-I75 VanDerWaalsContact O-N 3.15Å; I75-V77 HydrophobicContact CB-CG2 4.38Å; I75-V77 HydrophobicContact CG2-CG2 4.12Å |
| 76 | G | 75.8 | Confident | 75.9 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 72% | 0.722 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 21.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C72 A73 | C72-G76 PolarHBondContact O-N 3.11Å; A73-G76 PolarHBondContact O-N 3.32Å |
| 77 | V | 78.3 | Confident | 75 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 26% | 0.255 | 35% | 0.35 | S | S | . | . | trans | -95.5 | 124.2 | 171.9 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | C72 I75 P79 W87 | C72-V77 CarbonylContact C-O 3.56Å; C72-V77 HydrophobicContact CB-CB 4.44Å; C72-V77 VanDerWaalsContact CB-O 3.27Å; C72-V77 WeakPolarHBondContact CB-O 3.45Å; C72-V77 PolarHBondContact O-N 2.88Å; I75-V77 HydrophobicContact CB-CG2 4.38Å; I75-V77 HydrophobicContact CG2-CG2 4.12Å; V77-P79 WeakPolarHBondContact O-CD 3.27Å; V77-W87 HydrophobicContact CG1-CZ2 4.29Å; V77-W87 VanDerWaalsContact CG1-NE1 3.33Å | ||
| 78 | D | 75.5 | Confident | 74 | Confident | 74 Ų | 74 | 53.3 Ų | 53.3 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | trans | -103.1 | 106.8 | 172.1 | 178.4 | -0.6 | 0 | 0 | 0 | 109.5 | L80 A81 K150 | D78-L80 PolarHBondContact O-N 2.97Å; D78-L80 WeakPolarHBondContact OD1-CA 2.76Å; D78-L80 WeakPolarHBondContact OD1-CB 3.37Å; D78-L80 PolarHBondContact OD1-N 3.33Å; D78-A81 HydrophobicContact CB-CB 3.93Å; D78-A81 WeakPolarHBondContact O-CB 3.4Å; D78-A81 PolarHBondContact O-N 2.96Å; D78-A81 PolarHBondContact OD1-N 3.39Å; D78-K150 IonicContact OD1-NZ 2.76Å; D78-K150 IonicContact OD2-NZ 3.12Å; D78-K150 PolarHBondContact OD2-NZ 3.1Å | ||
| 79 | P | 74.5 | Confident | 73 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -9.5 | -178.4 | 27.8 | -32.7 | 0 | 0 | 0 | 113 | F68 Q69 C72 V77 W87 V93 | F68-P79 HydrophobicContact CE1-CB 4.49Å; Q69-P79 HydrophobicContact CG-CG 4.22Å; C72-P79 HydrophobicContact CB-CG 4.25Å; V77-P79 WeakPolarHBondContact O-CD 3.27Å; P79-W87 HydrophobicContact CB-CB 3.88Å; P79-W87 HydrophobicContact CB-CG 4.02Å; P79-W87 WeakPolarHBondContact O-CB 3.41Å; P79-V93 HydrophobicContact CB-CG2 4.39Å |
| 80 | L | 73.1 | Confident | 72 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 10.5 | -178 | -52.3 | -179.9 | 0 | 0 | 0 | 112.7 | D78 V93 Y97 K150 | D78-L80 PolarHBondContact O-N 2.97Å; D78-L80 WeakPolarHBondContact OD1-CA 2.76Å; D78-L80 WeakPolarHBondContact OD1-CB 3.37Å; D78-L80 PolarHBondContact OD1-N 3.33Å; L80-V93 HydrophobicContact CD2-CB 4.11Å; L80-V93 HydrophobicContact CD2-CG2 4.04Å; L80-Y97 HydrophobicContact CD1-CD1 4.14Å; L80-Y97 HydrophobicContact CD1-CD2 3.39Å; L80-Y97 HydrophobicContact CD1-CE1 4.34Å; L80-Y97 HydrophobicContact CD1-CE2 3.6Å; L80-Y97 HydrophobicContact CD1-CG 3.69Å; L80-Y97 HydrophobicContact CD2-CD2 3.24Å; L80-Y97 HydrophobicContact CD2-CE2 3.75Å; L80-Y97 HydrophobicContact CD2-CG 4.09Å; L80-Y97 HydrophobicContact CG-CD2 3.92Å; L80-Y97 HydrophobicContact CG-CE2 4.23Å; L80-K150 VanDerWaalsContact CB-CE 3.48Å; L80-K150 PolarHBondContact O-NZ 3.17Å |
| 81 | A | 68.8 | Low | 71 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 60% | 0.595 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -71.1 | -29.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D78 | D78-A81 HydrophobicContact CB-CB 3.93Å; D78-A81 WeakPolarHBondContact O-CB 3.4Å; D78-A81 PolarHBondContact O-N 2.96Å; D78-A81 PolarHBondContact OD1-N 3.39Å |
| 82 | S | 59.2 | Low | 70.3 | Confident | 59 Ų | 59 | 56 Ų | 56 | 41% | 0.413 | 34% | 0.342 | S | S | . | . | trans | -147.8 | 132.3 | -176.8 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | K84 G85 S88 | S82-K84 PolarHBondContact O-N 3.11Å; S82-K84 PolarHBondContact OG-N 2.9Å; S82-K84 VanDerWaalsContact OG-N 3.16Å; S82-G85 PolarHBondContact O-N 3.31Å; S82-G85 PolarHBondContact OG-N 2.68Å; S82-S88 VanDerWaalsContact O-CB 3.3Å; S82-S88 WeakPolarHBondContact O-CB 3.37Å | ||
| 83 | G | 58.4 | Low | 69.8 | Low | 39 Ų | 39 | 56.3 Ų | 56.3 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y98 | G83-Y98 PolarHBondContact N-OH 2.73Š|
| 84 | K | 57.7 | Low | 69.6 | Low | 193 Ų | 193 | 53.2 Ų | 53.2 | 84% | 0.839 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 8.6 | 169.6 | -65.7 | -171.9 | 179.7 | -177.9 | 0 | 112.9 | S82 | S82-K84 PolarHBondContact O-N 3.11Å; S82-K84 PolarHBondContact OG-N 2.9Å; S82-K84 VanDerWaalsContact OG-N 3.16Å |
| 85 | G | 63.9 | Low | 69.6 | Low | 20 Ų | 20 | 52.2 Ų | 52.2 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -74.9 | 146.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S82 W87 S88 E89 | S82-G85 PolarHBondContact O-N 3.31Å; S82-G85 PolarHBondContact OG-N 2.68Å; G85-W87 PolarHBondContact O-N 3.02Å; G85-S88 PolarHBondContact O-N 3.35Å; G85-E89 PolarHBondContact O-N 3.3Å |
| 86 | F | 64.4 | Low | 70.1 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 28% | 0.281 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -43.3 | -43 | 174.8 | 176.2 | -86.5 | 0 | 0 | 0 | 112.1 | E48 M90 | E48-F86 HydrophobicContact CB-CD1 4.26Å; E48-F86 HydrophobicContact CB-CE1 3.43Å; E48-F86 VanDerWaalsContact CB-CE1 3.43Å; E48-F86 HydrophobicContact CB-CE2 4.39Å; E48-F86 HydrophobicContact CB-CZ 3.49Å; E48-F86 VanDerWaalsContact CB-CZ 3.49Å; E48-F86 HydrophobicContact CG-CD1 3.49Å; E48-F86 VanDerWaalsContact CG-CD1 3.49Å; E48-F86 HydrophobicContact CG-CD2 4.48Å; E48-F86 HydrophobicContact CG-CE1 3.19Å; E48-F86 HydrophobicContact CG-CE2 4.2Å; E48-F86 HydrophobicContact CG-CG 4.16Å; E48-F86 HydrophobicContact CG-CZ 3.57Å; E48-F86 WeakPolarHBondContact OE1-CG 3.36Å; F86-M90 HydrophobicContact CD1-CB 4.3Å; F86-M90 HydrophobicContact CE1-CB 3.91Å; F86-M90 HydrophobicContact CE1-CG 4.02Å; F86-M90 HydrophobicContact CE2-CB 4.42Å; F86-M90 HydrophobicContact CE2-CE 3.74Å; F86-M90 HydrophobicContact CZ-CB 4Å; F86-M90 HydrophobicContact CZ-CE 3.68Å; F86-M90 HydrophobicContact CZ-CG 3.83Å; F86-M90 WeakPolarHBondContact O-CB 3.3Å; F86-M90 PolarHBondContact O-N 3.41Å |
| 87 | W | 67.1 | Low | 70.7 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | -178.6 | -53.4 | 113.4 | 0 | 0 | 0 | 113.8 | L47 E48 A51 F68 V77 P79 G85 L91 V93 | L47-W87 HydrophobicContact CB-CH2 3.92Å; L47-W87 HydrophobicContact CD2-CE3 4.19Å; L47-W87 HydrophobicContact CD2-CH2 3Å; L47-W87 HydrophobicContact CD2-CZ2 3.67Å; L47-W87 HydrophobicContact CD2-CZ3 3.3Å; L47-W87 HydrophobicContact CG-CH2 4Å; E48-W87 HydrophobicContact CB-CH2 4.15Å; E48-W87 HydrophobicContact CG-CH2 3.44Å; E48-W87 VanDerWaalsContact CG-CH2 3.44Å; E48-W87 HydrophobicContact CG-CZ2 3.91Å; E48-W87 HydrophobicContact CG-CZ3 4.08Å; A51-W87 HydrophobicContact CB-CE3 4.36Å; A51-W87 HydrophobicContact CB-CZ3 3.81Å; F68-W87 HydrophobicContact CZ-CE3 4.24Å; F68-W87 HydrophobicContact CZ-CZ3 4.26Å; V77-W87 HydrophobicContact CG1-CZ2 4.29Å; V77-W87 VanDerWaalsContact CG1-NE1 3.33Å; P79-W87 HydrophobicContact CB-CB 3.88Å; P79-W87 HydrophobicContact CB-CG 4.02Å; P79-W87 WeakPolarHBondContact O-CB 3.41Å; G85-W87 PolarHBondContact O-N 3.02Å; W87-L91 HydrophobicContact CE3-CD1 3.75Å; W87-L91 HydrophobicContact CZ3-CD1 4.42Å; W87-L91 WeakPolarHBondContact O-CB 3.21Å; W87-L91 PolarHBondContact O-N 2.57Å; W87-V93 HydrophobicContact CB-CG2 4.43Å; W87-V93 WeakPolarHBondContact O-CG2 3.19Å |
| 88 | S | 68.2 | Low | 71.1 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -46.7 | 179.2 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | S82 G85 G92 G94 | S82-S88 VanDerWaalsContact O-CB 3.3Å; S82-S88 WeakPolarHBondContact O-CB 3.37Å; G85-S88 PolarHBondContact O-N 3.35Å; S88-G92 WeakPolarHBondContact O-CA 3.21Å; S88-G92 PolarHBondContact O-N 3.04Å; S88-G94 WeakPolarHBondContact OG-CA 3.48Å |
| 89 | E | 66 | Low | 71.7 | Confident | 161 Ų | 161 | 51.6 Ų | 51.6 | 75% | 0.752 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -71.3 | -43 | -177.4 | -167.6 | 172 | -171.4 | 0 | 0 | 112.4 | G85 | G85-E89 PolarHBondContact O-N 3.3Å |
| 90 | M | 63.3 | Low | 72.6 | Confident | 78 Ų | 78 | 51.1 Ų | 51.1 | 38% | 0.384 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -76.4 | -40.5 | -177.7 | -171.7 | 63.7 | 90.4 | 0 | 0 | 112.2 | K55 F86 | K55-M90 WeakPolarHBondContact CD-O 2.97Å; K55-M90 WeakPolarHBondContact CE-O 3.44Å; K55-M90 PolarHBondContact NZ-O 2.74Å; F86-M90 HydrophobicContact CD1-CB 4.3Å; F86-M90 HydrophobicContact CE1-CB 3.91Å; F86-M90 HydrophobicContact CE1-CG 4.02Å; F86-M90 HydrophobicContact CE2-CB 4.42Å; F86-M90 HydrophobicContact CE2-CE 3.74Å; F86-M90 HydrophobicContact CZ-CB 4Å; F86-M90 HydrophobicContact CZ-CE 3.68Å; F86-M90 HydrophobicContact CZ-CG 3.83Å; F86-M90 WeakPolarHBondContact O-CB 3.3Å; F86-M90 PolarHBondContact O-N 3.41Å |
| 91 | L | 64.9 | Low | 73.5 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -102.7 | -20.8 | -172 | -50.2 | 175.3 | 0 | 0 | 0 | 113.6 | A51 K55 I58 R59 F68 W87 V93 | A51-L91 HydrophobicContact CB-CD1 3.55Å; A51-L91 HydrophobicContact CB-CD2 3.47Å; A51-L91 VanDerWaalsContact CB-CD2 3.47Å; A51-L91 HydrophobicContact CB-CG 4.06Å; A51-L91 WeakPolarHBondContact O-CD2 3.49Å; K55-L91 HydrophobicContact CB-CD2 4.38Å; K55-L91 HydrophobicContact CG-CD2 4.46Å; I58-L91 HydrophobicContact CD1-CD1 4.39Å; R59-L91 VanDerWaalsContact CZ-O 3.3Å; R59-L91 PolarHBondContact NE-O 3.43Å; R59-L91 PolarHBondContact NH2-O 3.08Å; F68-L91 HydrophobicContact CE1-CD1 3.89Å; F68-L91 HydrophobicContact CZ-CD1 3.76Å; W87-L91 HydrophobicContact CE3-CD1 3.75Å; W87-L91 HydrophobicContact CZ3-CD1 4.42Å; W87-L91 WeakPolarHBondContact O-CB 3.21Å; W87-L91 PolarHBondContact O-N 2.57Å; L91-V93 HydrophobicContact CB-CB 4.48Å; L91-V93 HydrophobicContact CB-CG1 3.82Å; L91-V93 HydrophobicContact CB-CG2 4.17Å; L91-V93 HydrophobicContact CD1-CG1 4.33Å; L91-V93 HydrophobicContact CD1-CG2 4.45Å; L91-V93 PolarHBondContact O-N 2.69Å |
| 92 | G | 70.6 | Confident | 74.6 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | trans | 63.2 | 22.1 | -170 | 0 | 0 | 0 | 0 | 0 | 113.1 | S88 G94 F96 | S88-G92 WeakPolarHBondContact O-CA 3.21Å; S88-G92 PolarHBondContact O-N 3.04Å; G92-G94 VanDerWaalsContact C-N 3.31Å; G92-F96 PolarHBondContact O-N 3.18Å | ||
| 93 | V | 73.4 | Confident | 76.3 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68 | -34.6 | 175.1 | -70.2 | 0 | 0 | 0 | 0 | 110.7 | I58 P79 L80 W87 L91 F96 Y97 | I58-V93 HydrophobicContact CG2-CG1 3.87Å; P79-V93 HydrophobicContact CB-CG2 4.39Å; L80-V93 HydrophobicContact CD2-CB 4.11Å; L80-V93 HydrophobicContact CD2-CG2 4.04Å; W87-V93 HydrophobicContact CB-CG2 4.43Å; W87-V93 WeakPolarHBondContact O-CG2 3.19Å; L91-V93 HydrophobicContact CB-CB 4.48Å; L91-V93 HydrophobicContact CB-CG1 3.82Å; L91-V93 HydrophobicContact CB-CG2 4.17Å; L91-V93 HydrophobicContact CD1-CG1 4.33Å; L91-V93 HydrophobicContact CD1-CG2 4.45Å; L91-V93 PolarHBondContact O-N 2.69Å; V93-F96 PolarHBondContact O-N 3.5Å; V93-Y97 WeakPolarHBondContact O-CD2 3.49Å; V93-Y97 PolarHBondContact O-N 3.43Å |
| 94 | G | 79.5 | Confident | 78 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -53.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S88 G92 F96 Y97 Y98 | S88-G94 WeakPolarHBondContact OG-CA 3.48Å; G92-G94 VanDerWaalsContact C-N 3.31Å; G94-F96 VanDerWaalsContact C-N 3.29Å; G94-F96 PolarHBondContact O-N 3.02Å; G94-Y97 PolarHBondContact O-N 3.28Å; G94-Y98 VanDerWaalsContact C-CD2 3.42Å; G94-Y98 WeakPolarHBondContact O-CD2 3.07Å; G94-Y98 PolarHBondContact O-N 2.85Å |
| 95 | D | 82.5 | Confident | 79.7 | Confident | 106 Ų | 106 | 41 Ų | 41 | 57% | 0.567 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -55.1 | -43.1 | 179.6 | -60.8 | -12.5 | 0 | 0 | 0 | 112.5 | Y97 Y98 E99 | D95-Y97 PolarHBondContact O-N 3.41Å; D95-Y98 PolarHBondContact O-N 3.03Å; D95-E99 WeakPolarHBondContact O-CB 3.4Å; D95-E99 PolarHBondContact O-N 2.99Å |
| 96 | F | 86.8 | Confident | 81 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 176 | 168.4 | -99.1 | 0 | 0 | 0 | 112.4 | G92 V93 G94 L100 Q137 V139 D143 | G92-F96 PolarHBondContact O-N 3.18Å; V93-F96 PolarHBondContact O-N 3.5Å; G94-F96 VanDerWaalsContact C-N 3.29Å; G94-F96 PolarHBondContact O-N 3.02Å; F96-L100 HydrophobicContact CE1-CD2 4.29Å; F96-L100 HydrophobicContact CZ-CD2 4.34Å; F96-L100 VanDerWaalsContact O-CB 3.27Å; F96-L100 WeakPolarHBondContact O-CB 3.45Å; F96-L100 PolarHBondContact O-N 3.07Å; F96-Q137 HydrophobicContact CD2-CB 4.3Å; F96-Q137 HydrophobicContact CE2-CB 3.98Å; F96-V139 HydrophobicContact CE2-CG2 4.35Å; F96-V139 HydrophobicContact CZ-CG2 4.25Å; F96-D143 HydrophobicContact CE1-CB 4.23Å; F96-D143 HydrophobicContact CZ-CB 4.41Å |
| 97 | Y | 88.4 | Confident | 82.4 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.2 | -29 | -179.8 | -77.7 | -74.4 | 0 | 0 | 0 | 113 | Q69 L80 V93 G94 D95 L100 G101 D143 R146 A147 | Q69-Y97 VanDerWaalsContact NE2-CE2 3.35Å; Q69-Y97 PolarHBondContact NE2-OH 3.39Å; L80-Y97 HydrophobicContact CD1-CD1 4.14Å; L80-Y97 HydrophobicContact CD1-CD2 3.39Å; L80-Y97 HydrophobicContact CD1-CE1 4.34Å; L80-Y97 HydrophobicContact CD1-CE2 3.6Å; L80-Y97 HydrophobicContact CD1-CG 3.69Å; L80-Y97 HydrophobicContact CD2-CD2 3.24Å; L80-Y97 HydrophobicContact CD2-CE2 3.75Å; L80-Y97 HydrophobicContact CD2-CG 4.09Å; L80-Y97 HydrophobicContact CG-CD2 3.92Å; L80-Y97 HydrophobicContact CG-CE2 4.23Å; V93-Y97 WeakPolarHBondContact O-CD2 3.49Å; V93-Y97 PolarHBondContact O-N 3.43Å; G94-Y97 PolarHBondContact O-N 3.28Å; D95-Y97 PolarHBondContact O-N 3.41Å; Y97-L100 HydrophobicContact CD1-CD2 4.35Å; Y97-G101 PolarHBondContact O-N 3.26Å; Y97-D143 HydrophobicContact CE1-CB 3.97Å; Y97-D143 WeakPolarHBondContact CE1-O 3.35Å; Y97-D143 PolarHBondContact OH-OD1 2.89Å; Y97-R146 HydrophobicContact CD1-CB 4.39Å; Y97-R146 HydrophobicContact CE1-CB 3.93Å; Y97-A147 HydrophobicContact CD1-CB 4.24Å |
| 98 | Y | 86.5 | Confident | 83.7 | Confident | 106 Ų | 106 | 42.8 Ų | 42.8 | 42% | 0.416 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.5 | -46 | 172.7 | -59.4 | -34.6 | 0 | 0 | 0 | 111.1 | G83 G94 D95 L100 G101 V102 | G83-Y98 PolarHBondContact N-OH 2.73Å; G94-Y98 VanDerWaalsContact C-CD2 3.42Å; G94-Y98 WeakPolarHBondContact O-CD2 3.07Å; G94-Y98 PolarHBondContact O-N 2.85Å; D95-Y98 PolarHBondContact O-N 3.03Å; Y98-L100 PolarHBondContact O-N 2.89Å; Y98-G101 PolarHBondContact O-N 3.26Å; Y98-V102 WeakPolarHBondContact O-CG2 3.2Å; Y98-V102 PolarHBondContact O-N 3.32Å |
| 99 | E | 89.4 | Confident | 84.8 | Confident | 103 Ų | 103 | 48.2 Ų | 48.2 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -45.7 | 173.5 | -171.1 | -162.7 | 147.9 | 0 | 0 | 111.2 | D95 G101 V102 Q103 | D95-E99 WeakPolarHBondContact O-CB 3.4Å; D95-E99 PolarHBondContact O-N 2.99Å; E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 3.12Å; E99-V102 PolarHBondContact O-N 3.3Å; E99-Q103 WeakPolarHBondContact O-CG 3.34Å; E99-Q103 PolarHBondContact O-N 2.76Å; E99-Q103 PolarHBondContact OE1-NE2 3.47Å |
| 100 | L | 92.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | 176 | -175.2 | 60.9 | 0 | 0 | 0 | 111.7 | F96 Y97 Y98 V102 Q103 I104 V128 V139 D143 L144 A147 | F96-L100 HydrophobicContact CE1-CD2 4.29Å; F96-L100 HydrophobicContact CZ-CD2 4.34Å; F96-L100 VanDerWaalsContact O-CB 3.27Å; F96-L100 WeakPolarHBondContact O-CB 3.45Å; F96-L100 PolarHBondContact O-N 3.07Å; Y97-L100 HydrophobicContact CD1-CD2 4.35Å; Y98-L100 PolarHBondContact O-N 2.89Å; L100-V102 PolarHBondContact O-N 3.28Å; L100-Q103 PolarHBondContact O-N 3.46Å; L100-I104 HydrophobicContact CG-CD1 4.16Å; L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.1Å; L100-I104 PolarHBondContact O-N 3.05Å; L100-V128 HydrophobicContact CD1-CG1 3.72Å; L100-V139 HydrophobicContact CD1-CG1 3.91Å; L100-V139 HydrophobicContact CD1-CG2 4.22Å; L100-V139 HydrophobicContact CD2-CG1 4.01Å; L100-D143 HydrophobicContact CD2-CB 3.77Å; L100-L144 HydrophobicContact CD1-CD2 3.81Å; L100-L144 HydrophobicContact CD2-CD2 4.28Å; L100-L144 HydrophobicContact CG-CD2 4.23Å; L100-A147 HydrophobicContact CB-CB 4.43Å; L100-A147 HydrophobicContact CD2-CB 4.04Å; L100-A147 HydrophobicContact CG-CB 4.06Å |
| 101 | G | 92.6 | Very high | 87.2 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y97 Y98 E99 I104 I105 | Y97-G101 PolarHBondContact O-N 3.26Å; Y98-G101 PolarHBondContact O-N 3.26Å; E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 3.12Å; G101-I104 PolarHBondContact O-N 3.24Å; G101-I105 WeakPolarHBondContact O-CD1 3.42Å; G101-I105 VanDerWaalsContact O-CG1 3.29Å; G101-I105 WeakPolarHBondContact O-CG1 3.37Å; G101-I105 PolarHBondContact O-N 3.11Å |
| 102 | V | 92 | Very high | 88.4 | Confident | 76 Ų | 76 | 45 Ų | 45 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 175.3 | 175.1 | 0 | 0 | 0 | 0 | 111 | Y98 E99 L100 I104 I105 E106 | Y98-V102 WeakPolarHBondContact O-CG2 3.2Å; Y98-V102 PolarHBondContact O-N 3.32Å; E99-V102 PolarHBondContact O-N 3.3Å; L100-V102 PolarHBondContact O-N 3.28Å; V102-I104 VanDerWaalsContact C-N 3.31Å; V102-I104 PolarHBondContact O-N 2.79Å; V102-I105 WeakPolarHBondContact O-CB 3.36Å; V102-I105 PolarHBondContact O-N 2.9Å; V102-I105 VanDerWaalsContact O-N 3.08Å; V102-E106 HydrophobicContact CG1-CG 4.38Å; V102-E106 WeakPolarHBondContact O-CG 3.46Å; V102-E106 PolarHBondContact O-N 3.5Å |
| 103 | Q | 93.3 | Very high | 89.2 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 15% | 0.15 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.8 | -71.5 | 168.6 | -5.5 | 0 | 0 | 112.5 | E99 L100 I105 E106 V107 | E99-Q103 WeakPolarHBondContact O-CG 3.34Å; E99-Q103 PolarHBondContact O-N 2.76Å; E99-Q103 PolarHBondContact OE1-NE2 3.47Å; L100-Q103 PolarHBondContact O-N 3.46Å; Q103-I105 VanDerWaalsContact C-N 3.34Å; Q103-E106 PolarHBondContact O-N 3.41Å; Q103-V107 WeakPolarHBondContact O-CG2 3.27Å; Q103-V107 PolarHBondContact O-N 3.48Å |
| 104 | I | 94.9 | Very high | 90 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 174.1 | -70.5 | 167.6 | 0 | 0 | 0 | 110.3 | L100 G101 V102 E106 V107 C108 L124 V128 L144 A147 I148 L151 F158 | L100-I104 HydrophobicContact CG-CD1 4.16Å; L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.1Å; L100-I104 PolarHBondContact O-N 3.05Å; G101-I104 PolarHBondContact O-N 3.24Å; V102-I104 VanDerWaalsContact C-N 3.31Å; V102-I104 PolarHBondContact O-N 2.79Å; I104-E106 PolarHBondContact O-N 2.92Å; I104-V107 PolarHBondContact O-N 3.4Å; I104-C108 WeakPolarHBondContact O-CB 3.46Å; I104-C108 PolarHBondContact O-N 3.4Å; I104-C108 PolarHBondContact O-SG 2.67Å; I104-L124 HydrophobicContact CG1-CD1 4.47Å; I104-L124 HydrophobicContact CG1-CD2 4.35Å; I104-L124 HydrophobicContact CG2-CD1 4.34Å; I104-L124 HydrophobicContact CG2-CD2 4.07Å; I104-V128 HydrophobicContact CG1-CG2 4.26Å; I104-L144 HydrophobicContact CD1-CB 4.41Å; I104-L144 HydrophobicContact CD1-CD2 3.71Å; I104-L144 HydrophobicContact CG1-CD2 3.89Å; I104-A147 HydrophobicContact CD1-CB 3.61Å; I104-I148 HydrophobicContact CD1-CG1 4.05Å; I104-I148 HydrophobicContact CG2-CG1 4.24Å; I104-L151 HydrophobicContact CB-CD1 4.4Å; I104-L151 HydrophobicContact CG2-CD1 4.06Å; I104-F158 HydrophobicContact CG2-CE1 3.95Å |
| 105 | I | 93.1 | Very high | 90.5 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 26% | 0.256 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 177.2 | -68.1 | 161.2 | 0 | 0 | 0 | 110.9 | G101 V102 Q103 C108 L109 L151 F158 | G101-I105 WeakPolarHBondContact O-CD1 3.42Å; G101-I105 VanDerWaalsContact O-CG1 3.29Å; G101-I105 WeakPolarHBondContact O-CG1 3.37Å; G101-I105 PolarHBondContact O-N 3.11Å; V102-I105 WeakPolarHBondContact O-CB 3.36Å; V102-I105 PolarHBondContact O-N 2.9Å; V102-I105 VanDerWaalsContact O-N 3.08Å; Q103-I105 VanDerWaalsContact C-N 3.34Å; I105-C108 PolarHBondContact O-N 3.38Å; I105-L109 HydrophobicContact CG2-CD1 3.7Å; I105-L109 HydrophobicContact CG2-CG 4.19Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.76Å; I105-L151 HydrophobicContact CD1-CD1 4.36Å; I105-L151 HydrophobicContact CD1-CD2 3.76Å; I105-L151 HydrophobicContact CG1-CD1 4.01Å; I105-L151 HydrophobicContact CG1-CD2 4.33Å; I105-F158 HydrophobicContact CB-CZ 4.33Å; I105-F158 HydrophobicContact CG1-CE2 3.8Å; I105-F158 HydrophobicContact CG1-CZ 3.66Å |
| 106 | E | 92.2 | Very high | 90.9 | Very high | 117 Ų | 117 | 49.7 Ų | 49.7 | 55% | 0.547 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | -179.9 | -72 | 173 | 163.7 | 0 | 0 | 112 | V102 Q103 I104 C108 L109 A110 | V102-E106 HydrophobicContact CG1-CG 4.38Å; V102-E106 WeakPolarHBondContact O-CG 3.46Å; V102-E106 PolarHBondContact O-N 3.5Å; Q103-E106 PolarHBondContact O-N 3.41Å; I104-E106 PolarHBondContact O-N 2.92Å; E106-C108 PolarHBondContact O-N 3.15Å; E106-L109 PolarHBondContact O-N 2.73Å; E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.94Å |
| 107 | V | 93.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 14% | 0.139 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -47.6 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | Q103 I104 L109 A110 L111 I119 L124 R127 V128 | Q103-V107 WeakPolarHBondContact O-CG2 3.27Å; Q103-V107 PolarHBondContact O-N 3.48Å; I104-V107 PolarHBondContact O-N 3.4Å; V107-L109 PolarHBondContact O-N 3.11Å; V107-A110 PolarHBondContact O-N 2.9Å; V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 WeakPolarHBondContact O-CG 3.4Å; V107-L111 PolarHBondContact O-N 3.04Å; V107-L111 VanDerWaalsContact O-N 3.08Å; V107-I119 HydrophobicContact CG1-CD1 4.33Å; V107-L124 HydrophobicContact CB-CD1 4.07Å; V107-L124 HydrophobicContact CG1-CD1 3.74Å; V107-R127 HydrophobicContact CG1-CB 3.6Å; V107-R127 HydrophobicContact CG1-CG 4.11Å; V107-R127 HydrophobicContact CG2-CB 4.11Å; V107-V128 HydrophobicContact CG2-CG2 4.11Å |
| 108 | C | 93.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | -180 | -74.1 | 0 | 0 | 0 | 0 | 112.5 | I104 I105 E106 L111 K112 F158 S171 | I104-C108 WeakPolarHBondContact O-CB 3.46Å; I104-C108 PolarHBondContact O-N 3.4Å; I104-C108 PolarHBondContact O-SG 2.67Å; I105-C108 PolarHBondContact O-N 3.38Å; E106-C108 PolarHBondContact O-N 3.15Å; C108-L111 PolarHBondContact O-N 2.73Å; C108-K112 WeakPolarHBondContact O-CB 3.32Å; C108-K112 PolarHBondContact O-N 2.83Å; C108-F158 HydrophobicContact CB-CE1 4.37Å; C108-F158 HydrophobicContact CB-CZ 4.41Å; C108-S171 VanDerWaalsContact CB-CB 3.44Å |
| 109 | L | 91 | Very high | 91.7 | Very high | 118 Ų | 118 | 44 Ų | 44 | 62% | 0.618 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.2 | -42.1 | 175.4 | -75.9 | 174.2 | 0 | 0 | 0 | 111.8 | I105 E106 V107 L111 | I105-L109 HydrophobicContact CG2-CD1 3.7Å; I105-L109 HydrophobicContact CG2-CG 4.19Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.76Å; E106-L109 PolarHBondContact O-N 2.73Å; V107-L109 PolarHBondContact O-N 3.11Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 2.86Å |
| 110 | A | 90.8 | Very high | 91.9 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 50% | 0.504 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.1 | -35.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E106 V107 H113 | E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.94Å; V107-A110 PolarHBondContact O-N 2.9Å; A110-H113 PolarHBondContact O-CE1 3.01Å; A110-H113 PolarHBondContact O-ND1 3.33Å |
| 111 | L | 90.2 | Very high | 92 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -95 | -12.8 | -175.8 | -62.7 | 172.7 | 0 | 0 | 0 | 114.7 | V107 C108 L109 H113 R114 N115 I119 R127 | V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 WeakPolarHBondContact O-CG 3.4Å; V107-L111 PolarHBondContact O-N 3.04Å; V107-L111 VanDerWaalsContact O-N 3.08Å; C108-L111 PolarHBondContact O-N 2.73Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 2.86Å; L111-H113 PolarHBondContact O-N 3.47Å; L111-H113 VanDerWaalsContact O-N 3.08Å; L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 PolarHBondContact O-N 2.87Å; L111-N115 WeakPolarHBondContact CB-ND2 3.37Å; L111-N115 PolarHBondContact O-N 3.21Å; L111-N115 VanDerWaalsContact O-N 3.13Å; L111-N115 PolarHBondContact O-OD1 3.46Å; L111-N115 VanDerWaalsContact O-OD1 3.07Å; L111-I119 HydrophobicContact CD1-CD1 3.56Å; L111-R127 HydrophobicContact CD1-CG 4.27Å |
| 112 | K | 90.1 | Very high | 91.9 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -48 | -42.6 | -178.3 | 177.2 | -178.5 | 171.2 | 178.1 | 0 | 113.4 | C108 R114 G116 V172 | C108-K112 WeakPolarHBondContact O-CB 3.32Å; C108-K112 PolarHBondContact O-N 2.83Å; K112-R114 PolarHBondContact O-N 2.98Å; K112-G116 WeakPolarHBondContact O-CA 3.06Å; K112-G116 PolarHBondContact O-N 3.14Å; K112-V172 HydrophobicContact CD-CG1 3.84Å; K112-V172 HydrophobicContact CG-CG1 4.19Å |
| 113 | H | 88 | Confident | 91.9 | Very high | 140 Ų | 140 | 42.8 Ų | 42.8 | 65% | 0.648 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.2 | -18.3 | -178.5 | 71.9 | -80.9 | 0 | 0 | 0 | 113.7 | A110 L111 | A110-H113 PolarHBondContact O-CE1 3.01Å; A110-H113 PolarHBondContact O-ND1 3.33Å; L111-H113 PolarHBondContact O-N 3.47Å; L111-H113 VanDerWaalsContact O-N 3.08Å |
| 114 | R | 88.6 | Confident | 91.9 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -100.9 | -40.7 | -178.2 | -56.1 | -175.4 | 174 | -167.9 | -7.6 | 112.7 | L111 K112 P237 S245 | L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 PolarHBondContact O-N 2.87Å; K112-R114 PolarHBondContact O-N 2.98Å; R114-P237 WeakPolarHBondContact O-CB 3.46Å; R114-S245 VanDerWaalsContact CZ-OG 3.28Å; R114-S245 PolarHBondContact NH1-OG 2.83Å; R114-S245 PolarHBondContact NH2-OG 2.93Å |
| 115 | N | 91.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -115.5 | 6.2 | -170.2 | 67 | 15.6 | 0 | 0 | 0 | 114.4 | L111 G117 L118 P237 A238 | L111-N115 WeakPolarHBondContact CB-ND2 3.37Å; L111-N115 PolarHBondContact O-N 3.21Å; L111-N115 VanDerWaalsContact O-N 3.13Å; L111-N115 PolarHBondContact O-OD1 3.46Å; L111-N115 VanDerWaalsContact O-OD1 3.07Å; N115-G117 PolarHBondContact O-N 3.39Å; N115-G117 VanDerWaalsContact O-N 3.11Å; N115-G117 PolarHBondContact OD1-N 2.87Å; N115-L118 VanDerWaalsContact CB-O 3.26Å; N115-L118 WeakPolarHBondContact CB-O 3.46Å; N115-L118 PolarHBondContact ND2-O 3.15Å; N115-L118 PolarHBondContact O-N 2.99Å; N115-L118 PolarHBondContact OD1-O 3.44Å; N115-P237 HydrophobicContact CB-CB 4.38Å; N115-A238 HydrophobicContact CB-CB 4.42Å |
| 116 | G | 90.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 13% | 0.134 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 8.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | K112 V172 G220 L221 | K112-G116 WeakPolarHBondContact O-CA 3.06Å; K112-G116 PolarHBondContact O-N 3.14Å; G116-V172 WeakPolarHBondContact O-CG2 3.45Å; G116-G220 WeakPolarHBondContact CA-O 3.46Å; G116-L221 WeakPolarHBondContact O-CD2 3.31Å |
| 117 | G | 92.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 21.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | N115 Q170 S171 | N115-G117 PolarHBondContact O-N 3.39Å; N115-G117 VanDerWaalsContact O-N 3.11Å; N115-G117 PolarHBondContact OD1-N 2.87Å; G117-Q170 WeakPolarHBondContact O-CA 3.27Å; G117-S171 PolarHBondContact O-N 3.32Å; G117-S171 PolarHBondContact O-OG 2.97Å |
| 118 | L | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.3 | 163.1 | -71.8 | 178.9 | 0 | 0 | 0 | 110.3 | N115 I161 V169 Q170 L184 L221 A238 | N115-L118 VanDerWaalsContact CB-O 3.26Å; N115-L118 WeakPolarHBondContact CB-O 3.46Å; N115-L118 PolarHBondContact ND2-O 3.15Å; N115-L118 PolarHBondContact O-N 2.99Å; N115-L118 PolarHBondContact OD1-O 3.44Å; L118-I161 HydrophobicContact CD2-CD1 3.99Å; L118-V169 WeakPolarHBondContact CA-O 3.43Å; L118-Q170 HydrophobicContact CD2-CB 3.85Å; L118-Q170 HydrophobicContact CD2-CG 4.2Å; L118-L184 HydrophobicContact CD1-CD1 4.23Å; L118-L184 HydrophobicContact CD1-CD2 4.15Å; L118-L221 HydrophobicContact CB-CD2 4.4Å; L118-L221 HydrophobicContact CD1-CB 4.44Å; L118-L221 HydrophobicContact CD1-CD1 3.97Å; L118-L221 HydrophobicContact CD1-CD2 3.8Å; L118-L221 HydrophobicContact CD1-CG 4.29Å; L118-L221 HydrophobicContact CG-CD2 3.73Å; L118-A238 HydrophobicContact CB-CB 3.54Å; L118-A238 WeakPolarHBondContact O-CB 3.46Å |
| 119 | I | 93.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 143.3 | 176.2 | -172.4 | 171.2 | 0 | 0 | 0 | 110 | V107 L111 E123 L124 L168 V169 | V107-I119 HydrophobicContact CG1-CD1 4.33Å; L111-I119 HydrophobicContact CD1-CD1 3.56Å; I119-E123 HydrophobicContact CD1-CB 4.17Å; I119-E123 HydrophobicContact CD1-CG 4.03Å; I119-E123 HydrophobicContact CG1-CB 3.9Å; I119-E123 HydrophobicContact CG1-CG 4.18Å; I119-L124 HydrophobicContact CD1-CB 4.1Å; I119-L124 HydrophobicContact CG1-CB 4.38Å; I119-L124 HydrophobicContact CG2-CB 4.24Å; I119-L168 CarbonylContact O-C 3.54Å; I119-L168 WeakPolarHBondContact O-CA 3.48Å; I119-V169 HydrophobicContact CG2-CB 3.89Å; I119-V169 PolarHBondContact N-O 2.76Å; I119-V169 PolarHBondContact O-N 3.05Å |
| 120 | T | 93.3 | Very high | 91.4 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 148.6 | 172.2 | 57 | 0 | 0 | 0 | 0 | 110.9 | D122 E123 L124 L168 A238 L239 | T120-D122 PolarHBondContact O-N 3.26Å; T120-E123 PolarHBondContact O-N 3.31Å; T120-E123 WeakPolarHBondContact OG1-CB 3.24Å; T120-E123 PolarHBondContact OG1-N 2.92Å; T120-E123 VanDerWaalsContact OG1-N 3.12Å; T120-L124 WeakPolarHBondContact O-CB 3.35Å; T120-L124 PolarHBondContact O-N 3.14Å; T120-L168 HydrophobicContact CG2-CD2 3.86Å; T120-A238 WeakPolarHBondContact CG2-O 3.44Å; T120-L239 HydrophobicContact CG2-CD2 4.19Å |
| 121 | L | 93.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -35.1 | 174.9 | -173.3 | 63.4 | 0 | 0 | 0 | 111.6 | H125 Q141 L144 V145 I148 Y167 V169 | L121-H125 VanDerWaalsContact O-CB 3.27Å; L121-H125 WeakPolarHBondContact O-CB 3.18Å; L121-H125 PolarHBondContact O-N 3.34Å; L121-Q141 HydrophobicContact CD2-CB 4.16Å; L121-Q141 HydrophobicContact CG-CB 4.5Å; L121-L144 HydrophobicContact CD1-CB 3.97Å; L121-L144 HydrophobicContact CD1-CD1 4.05Å; L121-V145 HydrophobicContact CD1-CG2 4.26Å; L121-V145 HydrophobicContact CD2-CG2 3.75Å; L121-I148 HydrophobicContact CD1-CD1 4.45Å; L121-Y167 WeakPolarHBondContact CB-O 3.25Å; L121-Y167 HydrophobicContact CD2-CD2 4.28Å; L121-Y167 PolarHBondContact N-O 3.35Å; L121-V169 HydrophobicContact CD1-CG2 4.22Å |
| 122 | D | 91.8 | Very high | 90.8 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65 | -48.2 | 176.7 | -62.3 | -61.3 | 0 | 0 | 0 | 112.2 | T120 H125 H126 Q141 S166 | T120-D122 PolarHBondContact O-N 3.26Å; D122-H125 PolarHBondContact O-N 3.07Å; D122-H126 PolarHBondContact O-N 3.05Å; D122-Q141 PolarHBondContact OD1-NE2 3.5Å; D122-S166 PolarHBondContact OD2-OG 3.08Å |
| 123 | E | 91.1 | Very high | 90.2 | Very high | 40 Ų | 40 | 44 Ų | 44 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 176.8 | -171.4 | -172.3 | 171.9 | 0 | 0 | 111.1 | I119 T120 H125 H126 R127 | I119-E123 HydrophobicContact CD1-CB 4.17Å; I119-E123 HydrophobicContact CD1-CG 4.03Å; I119-E123 HydrophobicContact CG1-CB 3.9Å; I119-E123 HydrophobicContact CG1-CG 4.18Å; T120-E123 PolarHBondContact O-N 3.31Å; T120-E123 WeakPolarHBondContact OG1-CB 3.24Å; T120-E123 PolarHBondContact OG1-N 2.92Å; T120-E123 VanDerWaalsContact OG1-N 3.12Å; E123-H125 VanDerWaalsContact C-N 3.29Å; E123-H125 PolarHBondContact O-N 3.16Å; E123-H126 PolarHBondContact O-N 3.36Å; E123-R127 HydrophobicContact CG-CG 4.06Å; E123-R127 WeakPolarHBondContact O-CB 3.23Å; E123-R127 WeakPolarHBondContact O-CG 3.48Å; E123-R127 PolarHBondContact O-N 3.44Å; E123-R127 IonicContact OE1-CZ 3.05Å; E123-R127 IonicContact OE1-NE 3.37Å; E123-R127 PolarHBondContact OE1-NE 3.18Å; E123-R127 IonicContact OE1-NH2 2.69Å; E123-R127 PolarHBondContact OE1-NH2 3.37Å |
| 124 | L | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 175.8 | 178.7 | 61.9 | 0 | 0 | 0 | 111 | I104 V107 I119 T120 R127 V128 L144 I148 V169 | I104-L124 HydrophobicContact CG1-CD1 4.47Å; I104-L124 HydrophobicContact CG1-CD2 4.35Å; I104-L124 HydrophobicContact CG2-CD1 4.34Å; I104-L124 HydrophobicContact CG2-CD2 4.07Å; V107-L124 HydrophobicContact CB-CD1 4.07Å; V107-L124 HydrophobicContact CG1-CD1 3.74Å; I119-L124 HydrophobicContact CD1-CB 4.1Å; I119-L124 HydrophobicContact CG1-CB 4.38Å; I119-L124 HydrophobicContact CG2-CB 4.24Å; T120-L124 WeakPolarHBondContact O-CB 3.35Å; T120-L124 PolarHBondContact O-N 3.14Å; L124-R127 PolarHBondContact O-N 3.22Å; L124-V128 HydrophobicContact CD1-CG2 4.05Å; L124-V128 HydrophobicContact CG-CG2 4.42Å; L124-V128 WeakPolarHBondContact O-CB 3.39Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.27Å; L124-V128 PolarHBondContact O-N 3.32Å; L124-L144 HydrophobicContact CG-CD1 4.44Å; L124-I148 HydrophobicContact CD2-CD1 3.99Å; L124-V169 HydrophobicContact CD2-CB 4.29Å; L124-V169 HydrophobicContact CD2-CG1 4.28Å; L124-V169 HydrophobicContact CD2-CG2 3.82Å |
| 125 | H | 93.5 | Very high | 88.7 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 18% | 0.181 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -48 | 177 | -177.7 | -117.4 | 0 | 0 | 0 | 112.2 | L121 D122 E123 R127 V128 L129 V139 Q141 L144 | L121-H125 VanDerWaalsContact O-CB 3.27Å; L121-H125 WeakPolarHBondContact O-CB 3.18Å; L121-H125 PolarHBondContact O-N 3.34Å; D122-H125 PolarHBondContact O-N 3.07Å; E123-H125 VanDerWaalsContact C-N 3.29Å; E123-H125 PolarHBondContact O-N 3.16Å; H125-R127 PolarHBondContact O-N 2.84Å; H125-V128 PolarHBondContact O-N 2.81Å; H125-L129 VanDerWaalsContact CE1-CD1 3.45Å; H125-L129 WeakPolarHBondContact CE1-CD1 3.47Å; H125-L129 WeakPolarHBondContact O-CG 3.45Å; H125-L129 PolarHBondContact O-N 3.48Å; H125-V139 PolarHBondContact NE2-O 3.18Å; H125-Q141 HydrophobicContact CB-CG 4.31Å; H125-L144 VanDerWaalsContact CA-CD1 3.5Å; H125-L144 HydrophobicContact CB-CD1 3.48Å; H125-L144 VanDerWaalsContact CB-CD1 3.48Å |
| 126 | H | 91.3 | Very high | 88.1 | Confident | 119 Ų | 119 | 55.2 Ų | 55.2 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59.8 | -45 | 177 | -174.9 | 76.1 | 0 | 0 | 0 | 112.4 | D122 E123 L129 K130 | D122-H126 PolarHBondContact O-N 3.05Å; E123-H126 PolarHBondContact O-N 3.36Å; H126-L129 PolarHBondContact O-N 3.07Å; H126-K130 WeakPolarHBondContact O-CB 3.31Å; H126-K130 PolarHBondContact O-N 3.33Å |
| 127 | R | 90.9 | Very high | 87.6 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 13% | 0.125 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | -180 | -65.4 | -95.9 | -172 | -174.3 | -2 | 112 | V107 L111 E123 L124 H125 L129 K130 G131 D247 | V107-R127 HydrophobicContact CG1-CB 3.6Å; V107-R127 HydrophobicContact CG1-CG 4.11Å; V107-R127 HydrophobicContact CG2-CB 4.11Å; L111-R127 HydrophobicContact CD1-CG 4.27Å; E123-R127 HydrophobicContact CG-CG 4.06Å; E123-R127 WeakPolarHBondContact O-CB 3.23Å; E123-R127 WeakPolarHBondContact O-CG 3.48Å; E123-R127 PolarHBondContact O-N 3.44Å; E123-R127 IonicContact OE1-CZ 3.05Å; E123-R127 IonicContact OE1-NE 3.37Å; E123-R127 PolarHBondContact OE1-NE 3.18Å; E123-R127 IonicContact OE1-NH2 2.69Å; E123-R127 PolarHBondContact OE1-NH2 3.37Å; L124-R127 PolarHBondContact O-N 3.22Å; H125-R127 PolarHBondContact O-N 2.84Å; R127-L129 VanDerWaalsContact C-N 3.35Å; R127-K130 PolarHBondContact O-N 3.21Å; R127-G131 PolarHBondContact O-N 2.91Å; R127-D247 IonicContact NH1-OD1 2.76Å; R127-D247 PolarHBondContact NH1-OD1 3.25Å |
| 128 | V | 92.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.4 | 167.5 | 0 | 0 | 0 | 0 | 110.6 | L100 I104 V107 L124 H125 K130 G131 R132 L144 | L100-V128 HydrophobicContact CD1-CG1 3.72Å; I104-V128 HydrophobicContact CG1-CG2 4.26Å; V107-V128 HydrophobicContact CG2-CG2 4.11Å; L124-V128 HydrophobicContact CD1-CG2 4.05Å; L124-V128 HydrophobicContact CG-CG2 4.42Å; L124-V128 WeakPolarHBondContact O-CB 3.39Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.27Å; L124-V128 PolarHBondContact O-N 3.32Å; H125-V128 PolarHBondContact O-N 2.81Å; V128-K130 PolarHBondContact O-N 2.85Å; V128-G131 PolarHBondContact O-N 3.15Å; V128-R132 WeakPolarHBondContact O-CG 3.5Å; V128-R132 PolarHBondContact O-N 2.95Å; V128-L144 HydrophobicContact CG1-CD2 4.39Å; V128-L144 HydrophobicContact CG2-CD2 4.25Å |
| 129 | L | 90.5 | Very high | 87.2 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 176.2 | -72.1 | 179.5 | 0 | 0 | 0 | 112.4 | H125 H126 R127 G131 R132 V139 | H125-L129 VanDerWaalsContact CE1-CD1 3.45Å; H125-L129 WeakPolarHBondContact CE1-CD1 3.47Å; H125-L129 WeakPolarHBondContact O-CG 3.45Å; H125-L129 PolarHBondContact O-N 3.48Å; H126-L129 PolarHBondContact O-N 3.07Å; R127-L129 VanDerWaalsContact C-N 3.35Å; L129-G131 VanDerWaalsContact C-N 3.34Å; L129-G131 PolarHBondContact O-N 3.42Å; L129-R132 PolarHBondContact O-N 3.34Å; L129-V139 HydrophobicContact CD2-CB 4.1Å |
| 130 | K | 88.1 | Confident | 87.1 | Confident | 131 Ų | 131 | 62.4 Ų | 62.4 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.4 | -37.3 | 176.5 | -172.5 | -171.6 | 175.9 | -163.3 | 0 | 112.4 | H126 R127 V128 R132 D247 | H126-K130 WeakPolarHBondContact O-CB 3.31Å; H126-K130 PolarHBondContact O-N 3.33Å; R127-K130 PolarHBondContact O-N 3.21Å; V128-K130 PolarHBondContact O-N 2.85Å; K130-R132 VanDerWaalsContact C-N 3.26Å; K130-R132 PolarHBondContact O-N 3.28Å; K130-D247 IonicContact NZ-OD2 2.83Å; K130-D247 PolarHBondContact NZ-OD2 2.74Å |
| 131 | G | 83.7 | Confident | 87 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 74% | 0.742 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -74.6 | -14.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | R127 V128 L129 | R127-G131 PolarHBondContact O-N 2.91Å; V128-G131 PolarHBondContact O-N 3.15Å; L129-G131 VanDerWaalsContact C-N 3.34Å; L129-G131 PolarHBondContact O-N 3.42Å |
| 132 | R | 83.4 | Confident | 86.9 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 10% | 0.102 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -84.1 | 137.8 | -179.2 | -83.2 | 179.1 | 174.3 | -119.2 | -9.1 | 111.8 | V128 L129 K130 A136 Q137 | V128-R132 WeakPolarHBondContact O-CG 3.5Å; V128-R132 PolarHBondContact O-N 2.95Å; L129-R132 PolarHBondContact O-N 3.34Å; K130-R132 VanDerWaalsContact C-N 3.26Å; K130-R132 PolarHBondContact O-N 3.28Å; R132-A136 HydrophobicContact CB-CB 3.67Å; R132-A136 HydrophobicContact CG-CB 3.95Å; R132-Q137 PolarHBondContact NH1-O 3.4Å |
| 133 | G | 78.1 | Confident | 86.9 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 57% | 0.567 | 33% | 0.333 | S | S | * | . | trans | -71.8 | 165.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | F135 A136 | G133-F135 PolarHBondContact O-N 3.43Å; G133-A136 VanDerWaalsContact O-CB 3.23Å; G133-A136 WeakPolarHBondContact O-CB 3.12Å; G133-A136 PolarHBondContact O-N 3.23Å | ||
| 134 | K | 74.8 | Confident | 87.1 | Confident | 198 Ų | 198 | 60.9 Ų | 60.9 | 86% | 0.861 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.5 | -178.9 | -170.9 | 174.5 | 179.7 | 178.8 | 0 | 115.1 | ||
| 135 | F | 71.4 | Confident | 87 | Confident | 204 Ų | 204 | 61.7 Ų | 61.7 | 90% | 0.895 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 5.1 | 179.8 | -60.4 | -73 | 0 | 0 | 0 | 113.6 | G133 | G133-F135 PolarHBondContact O-N 3.43Š|
| 136 | A | 76.9 | Confident | 86.8 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -67.2 | 149.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R132 G133 | R132-A136 HydrophobicContact CB-CB 3.67Å; R132-A136 HydrophobicContact CG-CB 3.95Å; G133-A136 VanDerWaalsContact O-CB 3.23Å; G133-A136 WeakPolarHBondContact O-CB 3.12Å; G133-A136 PolarHBondContact O-N 3.23Å |
| 137 | Q | 80.4 | Confident | 86.9 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 142.4 | 171.8 | -67.6 | 176.9 | -0 | 0 | 0 | 109.7 | R59 F96 R132 | R59-Q137 WeakPolarHBondContact O-CG 3.36Å; F96-Q137 HydrophobicContact CD2-CB 4.3Å; F96-Q137 HydrophobicContact CE2-CB 3.98Å; R132-Q137 PolarHBondContact NH1-O 3.4Å |
| 138 | D | 85.8 | Confident | 87 | Confident | 80 Ų | 80 | 55 Ų | 55 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 151 | 172.7 | -173.8 | 29.3 | 0 | 0 | 0 | 110.2 | S62 R65 | S62-D138 WeakPolarHBondContact CB-OD2 3.42Å; S62-D138 PolarHBondContact OG-OD2 2.95Å; R65-D138 PolarHBondContact NH1-O 2.75Å; R65-D138 PolarHBondContact NH2-O 3.23Å |
| 139 | V | 91.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | trans | -133.7 | 127.8 | -177.8 | -180 | 0 | 0 | 0 | 0 | 108.4 | F96 L100 H125 L129 D143 L144 | F96-V139 HydrophobicContact CE2-CG2 4.35Å; F96-V139 HydrophobicContact CZ-CG2 4.25Å; L100-V139 HydrophobicContact CD1-CG1 3.91Å; L100-V139 HydrophobicContact CD1-CG2 4.22Å; L100-V139 HydrophobicContact CD2-CG1 4.01Å; H125-V139 PolarHBondContact NE2-O 3.18Å; L129-V139 HydrophobicContact CD2-CB 4.1Å; V139-D143 HydrophobicContact CG1-CB 4Å; V139-L144 HydrophobicContact CG1-CD2 4.1Å; V139-L144 HydrophobicContact CG1-CG 4.23Å | ||
| 140 | S | 92.3 | Very high | 86.5 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | trans | -94.4 | 165.3 | 170.4 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | D142 D143 L144 | S140-D142 PolarHBondContact O-N 3.24Å; S140-D143 PolarHBondContact N-OD2 3.2Å; S140-D143 WeakPolarHBondContact O-CB 3.34Å; S140-D143 PolarHBondContact O-N 2.88Å; S140-D143 VanDerWaalsContact O-N 3.14Å; S140-D143 PolarHBondContact OG-N 3.32Å; S140-D143 VanDerWaalsContact OG-N 3.15Å; S140-D143 PolarHBondContact OG-OD2 3.32Å; S140-L144 PolarHBondContact O-N 2.88Å | ||
| 141 | Q | 91.7 | Very high | 86.5 | Confident | 72 Ų | 72 | 55 Ų | 55 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -34.4 | 171.1 | -68.4 | -172.7 | -17.7 | 0 | 0 | 112.6 | L121 D122 H125 D143 L144 V145 | L121-Q141 HydrophobicContact CD2-CB 4.16Å; L121-Q141 HydrophobicContact CG-CB 4.5Å; D122-Q141 PolarHBondContact OD1-NE2 3.5Å; H125-Q141 HydrophobicContact CB-CG 4.31Å; Q141-D143 VanDerWaalsContact C-N 3.28Å; Q141-D143 PolarHBondContact O-N 2.88Å; Q141-L144 WeakPolarHBondContact O-CB 3.43Å; Q141-L144 PolarHBondContact O-N 3.03Å; Q141-L144 VanDerWaalsContact O-N 3.15Å; Q141-V145 WeakPolarHBondContact O-CG2 3.34Å; Q141-V145 PolarHBondContact O-N 3.04Å |
| 142 | D | 91.1 | Very high | 86.6 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 175 | 178.5 | 69.1 | 0 | 0 | 0 | 111.4 | V66 S140 L144 V145 R146 | V66-D142 HydrophobicContact CG2-CB 4.19Å; S140-D142 PolarHBondContact O-N 3.24Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.1Å; D142-V145 PolarHBondContact O-N 2.88Å; D142-R146 VanDerWaalsContact CG-NE 3.3Å; D142-R146 VanDerWaalsContact CG-NH2 3.28Å; D142-R146 VanDerWaalsContact O-CG 3.27Å; D142-R146 WeakPolarHBondContact O-CG 3.36Å; D142-R146 PolarHBondContact O-N 3.35Å; D142-R146 IonicContact OD1-CZ 2.62Å; D142-R146 IonicContact OD1-NE 3.72Å; D142-R146 PolarHBondContact OD1-NE 2.79Å; D142-R146 IonicContact OD1-NH2 2.69Å; D142-R146 PolarHBondContact OD1-NH2 2.66Å; D142-R146 VanDerWaalsContact OD1-NH2 3.12Å; D142-R146 IonicContact OD2-CZ 3.52Å; D142-R146 IonicContact OD2-NE 2.79Å; D142-R146 PolarHBondContact OD2-NE 3.09Å; D142-R146 IonicContact OD2-NH2 3.74Å; D142-R146 PolarHBondContact OD2-NH2 3.29Å |
| 143 | D | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 173 | -64.6 | -58.3 | 0 | 0 | 0 | 111.7 | R65 F96 Y97 L100 V139 S140 Q141 R146 A147 | R65-D143 IonicContact CZ-OD1 2.69Å; R65-D143 IonicContact CZ-OD2 4Å; R65-D143 IonicContact NE-OD1 3.14Å; R65-D143 PolarHBondContact NE-OD1 2.86Å; R65-D143 IonicContact NE-OD2 3.26Å; R65-D143 IonicContact NH2-OD1 3.04Å; R65-D143 IonicContact NH2-OD2 3.67Å; R65-D143 PolarHBondContact NH2-OD2 3.4Å; F96-D143 HydrophobicContact CE1-CB 4.23Å; F96-D143 HydrophobicContact CZ-CB 4.41Å; Y97-D143 HydrophobicContact CE1-CB 3.97Å; Y97-D143 WeakPolarHBondContact CE1-O 3.35Å; Y97-D143 PolarHBondContact OH-OD1 2.89Å; L100-D143 HydrophobicContact CD2-CB 3.77Å; V139-D143 HydrophobicContact CG1-CB 4Å; S140-D143 PolarHBondContact N-OD2 3.2Å; S140-D143 WeakPolarHBondContact O-CB 3.34Å; S140-D143 PolarHBondContact O-N 2.88Å; S140-D143 VanDerWaalsContact O-N 3.14Å; S140-D143 PolarHBondContact OG-N 3.32Å; S140-D143 VanDerWaalsContact OG-N 3.15Å; S140-D143 PolarHBondContact OG-OD2 3.32Å; Q141-D143 VanDerWaalsContact C-N 3.28Å; Q141-D143 PolarHBondContact O-N 2.88Å; D143-R146 PolarHBondContact O-N 3.47Å; D143-A147 WeakPolarHBondContact O-CB 3.27Å; D143-A147 PolarHBondContact O-N 2.76Å |
| 144 | L | 94.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 176.5 | -61.6 | 174.4 | 0 | 0 | 0 | 111.8 | L100 I104 L121 L124 H125 V128 V139 S140 Q141 D142 R146 A147 I148 | L100-L144 HydrophobicContact CD1-CD2 3.81Å; L100-L144 HydrophobicContact CD2-CD2 4.28Å; L100-L144 HydrophobicContact CG-CD2 4.23Å; I104-L144 HydrophobicContact CD1-CB 4.41Å; I104-L144 HydrophobicContact CD1-CD2 3.71Å; I104-L144 HydrophobicContact CG1-CD2 3.89Å; L121-L144 HydrophobicContact CD1-CB 3.97Å; L121-L144 HydrophobicContact CD1-CD1 4.05Å; L124-L144 HydrophobicContact CG-CD1 4.44Å; H125-L144 VanDerWaalsContact CA-CD1 3.5Å; H125-L144 HydrophobicContact CB-CD1 3.48Å; H125-L144 VanDerWaalsContact CB-CD1 3.48Å; V128-L144 HydrophobicContact CG1-CD2 4.39Å; V128-L144 HydrophobicContact CG2-CD2 4.25Å; V139-L144 HydrophobicContact CG1-CD2 4.1Å; V139-L144 HydrophobicContact CG1-CG 4.23Å; S140-L144 PolarHBondContact O-N 2.88Å; Q141-L144 WeakPolarHBondContact O-CB 3.43Å; Q141-L144 PolarHBondContact O-N 3.03Å; Q141-L144 VanDerWaalsContact O-N 3.15Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.1Å; L144-R146 PolarHBondContact O-N 2.69Å; L144-A147 PolarHBondContact O-N 2.9Å; L144-A147 VanDerWaalsContact O-N 3.15Å; L144-I148 WeakPolarHBondContact O-CD1 3.24Å; L144-I148 VanDerWaalsContact O-CG1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.46Å |
| 145 | V | 93 | Very high | 86.3 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.5 | -41.6 | 178.5 | 167.4 | 0 | 0 | 0 | 0 | 110.5 | L121 Q141 D142 K149 M160 | L121-V145 HydrophobicContact CD1-CG2 4.26Å; L121-V145 HydrophobicContact CD2-CG2 3.75Å; Q141-V145 WeakPolarHBondContact O-CG2 3.34Å; Q141-V145 PolarHBondContact O-N 3.04Å; D142-V145 PolarHBondContact O-N 2.88Å; V145-K149 HydrophobicContact CG1-CD 4.35Å; V145-K149 VanDerWaalsContact O-CG 3.3Å; V145-K149 WeakPolarHBondContact O-CG 3.41Å; V145-K149 PolarHBondContact O-N 2.97Å; V145-M160 HydrophobicContact CB-SD 4.3Å; V145-M160 HydrophobicContact CG1-CE 3.98Å; V145-M160 HydrophobicContact CG1-SD 3.93Å; V145-M160 HydrophobicContact CG2-SD 4.2Å |
| 146 | R | 89.6 | Confident | 86.4 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 18% | 0.177 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.6 | -44.6 | 177.4 | -67.3 | 179.2 | -156.4 | -110.7 | 0 | 112.3 | Q69 Y97 D142 D143 L144 I148 K149 K150 | Q69-R146 VanDerWaalsContact CB-NH1 3.27Å; Y97-R146 HydrophobicContact CD1-CB 4.39Å; Y97-R146 HydrophobicContact CE1-CB 3.93Å; D142-R146 VanDerWaalsContact CG-NE 3.3Å; D142-R146 VanDerWaalsContact CG-NH2 3.28Å; D142-R146 VanDerWaalsContact O-CG 3.27Å; D142-R146 WeakPolarHBondContact O-CG 3.36Å; D142-R146 PolarHBondContact O-N 3.35Å; D142-R146 IonicContact OD1-CZ 2.62Å; D142-R146 IonicContact OD1-NE 3.72Å; D142-R146 PolarHBondContact OD1-NE 2.79Å; D142-R146 IonicContact OD1-NH2 2.69Å; D142-R146 PolarHBondContact OD1-NH2 2.66Å; D142-R146 VanDerWaalsContact OD1-NH2 3.12Å; D142-R146 IonicContact OD2-CZ 3.52Å; D142-R146 IonicContact OD2-NE 2.79Å; D142-R146 PolarHBondContact OD2-NE 3.09Å; D142-R146 IonicContact OD2-NH2 3.74Å; D142-R146 PolarHBondContact OD2-NH2 3.29Å; D143-R146 PolarHBondContact O-N 3.47Å; L144-R146 PolarHBondContact O-N 2.69Å; R146-I148 VanDerWaalsContact C-N 3.32Å; R146-I148 PolarHBondContact O-N 3.48Å; R146-K149 PolarHBondContact O-N 3.03Å; R146-K150 WeakPolarHBondContact O-CG 3.45Å; R146-K150 PolarHBondContact O-N 3.15Å; R146-K150 VanDerWaalsContact O-N 3.07Å |
| 147 | A | 92.3 | Very high | 86.7 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y97 L100 I104 D143 L144 K149 K150 L151 | Y97-A147 HydrophobicContact CD1-CB 4.24Å; L100-A147 HydrophobicContact CB-CB 4.43Å; L100-A147 HydrophobicContact CD2-CB 4.04Å; L100-A147 HydrophobicContact CG-CB 4.06Å; I104-A147 HydrophobicContact CD1-CB 3.61Å; D143-A147 WeakPolarHBondContact O-CB 3.27Å; D143-A147 PolarHBondContact O-N 2.76Å; L144-A147 PolarHBondContact O-N 2.9Å; L144-A147 VanDerWaalsContact O-N 3.15Å; A147-K149 PolarHBondContact O-N 3.13Å; A147-K150 CarbonylContact O-C 3.57Å; A147-K150 WeakPolarHBondContact O-CA 3.43Å; A147-K150 WeakPolarHBondContact O-CB 3.48Å; A147-K150 PolarHBondContact O-N 3.44Å; A147-L151 WeakPolarHBondContact O-CG 3.47Å; A147-L151 PolarHBondContact O-N 3.39Å |
| 148 | I | 92.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 178.2 | -65.1 | 159.7 | 0 | 0 | 0 | 111.5 | I104 L121 L124 L144 R146 K150 L151 K152 F158 M160 V169 | I104-I148 HydrophobicContact CD1-CG1 4.05Å; I104-I148 HydrophobicContact CG2-CG1 4.24Å; L121-I148 HydrophobicContact CD1-CD1 4.45Å; L124-I148 HydrophobicContact CD2-CD1 3.99Å; L144-I148 WeakPolarHBondContact O-CD1 3.24Å; L144-I148 VanDerWaalsContact O-CG1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.46Å; R146-I148 VanDerWaalsContact C-N 3.32Å; R146-I148 PolarHBondContact O-N 3.48Å; I148-K150 PolarHBondContact O-N 3.47Å; I148-L151 WeakPolarHBondContact O-CB 3.45Å; I148-L151 PolarHBondContact O-N 3.2Å; I148-L151 VanDerWaalsContact O-N 3.1Å; I148-K152 PolarHBondContact O-N 3.47Å; I148-F158 HydrophobicContact CG2-CB 4.48Å; I148-M160 HydrophobicContact CB-CG 4.47Å; I148-M160 HydrophobicContact CB-SD 4.33Å; I148-M160 HydrophobicContact CD1-SD 4.5Å; I148-M160 HydrophobicContact CG2-CG 3.67Å; I148-M160 HydrophobicContact CG2-SD 4.13Å; I148-V169 HydrophobicContact CD1-CB 4.34Å; I148-V169 HydrophobicContact CD1-CG1 3.79Å; I148-V169 HydrophobicContact CD1-CG2 3.56Å; I148-V169 HydrophobicContact CG1-CG1 4.29Å; I148-V169 HydrophobicContact CG2-CG1 4.47Å |
| 149 | K | 89.3 | Confident | 87.3 | Confident | 124 Ų | 124 | 50.8 Ų | 50.8 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.8 | -34.4 | 173.8 | -76.3 | 173.4 | -177.3 | 176.2 | 0 | 111.9 | V145 R146 A147 K152 M160 | V145-K149 HydrophobicContact CG1-CD 4.35Å; V145-K149 VanDerWaalsContact O-CG 3.3Å; V145-K149 WeakPolarHBondContact O-CG 3.41Å; V145-K149 PolarHBondContact O-N 2.97Å; R146-K149 PolarHBondContact O-N 3.03Å; A147-K149 PolarHBondContact O-N 3.13Å; K149-K152 WeakPolarHBondContact O-CB 3.45Å; K149-M160 HydrophobicContact CG-CE 3.98Å |
| 150 | K | 85.1 | Confident | 87.4 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.5 | -39.2 | 174 | -63.8 | -60.3 | -179.1 | 168.1 | 0 | 112.3 | D78 L80 R146 A147 I148 K152 V153 | D78-K150 IonicContact OD1-NZ 2.76Å; D78-K150 IonicContact OD2-NZ 3.12Å; D78-K150 PolarHBondContact OD2-NZ 3.1Å; L80-K150 VanDerWaalsContact CB-CE 3.48Å; L80-K150 PolarHBondContact O-NZ 3.17Å; R146-K150 WeakPolarHBondContact O-CG 3.45Å; R146-K150 PolarHBondContact O-N 3.15Å; R146-K150 VanDerWaalsContact O-N 3.07Å; A147-K150 CarbonylContact O-C 3.57Å; A147-K150 WeakPolarHBondContact O-CA 3.43Å; A147-K150 WeakPolarHBondContact O-CB 3.48Å; A147-K150 PolarHBondContact O-N 3.44Å; I148-K150 PolarHBondContact O-N 3.47Å; K150-K152 PolarHBondContact O-N 3.02Å; K150-V153 WeakPolarHBondContact O-CG2 3.42Å; K150-V153 PolarHBondContact O-N 3.29Å; K150-V153 VanDerWaalsContact O-N 3.11Å |
| 151 | L | 88.1 | Confident | 87.3 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.3 | -31.9 | 174.3 | -67.8 | 179.6 | 0 | 0 | 0 | 112.5 | I104 I105 A147 I148 V153 M154 F158 | I104-L151 HydrophobicContact CB-CD1 4.4Å; I104-L151 HydrophobicContact CG2-CD1 4.06Å; I105-L151 HydrophobicContact CD1-CD1 4.36Å; I105-L151 HydrophobicContact CD1-CD2 3.76Å; I105-L151 HydrophobicContact CG1-CD1 4.01Å; I105-L151 HydrophobicContact CG1-CD2 4.33Å; A147-L151 WeakPolarHBondContact O-CG 3.47Å; A147-L151 PolarHBondContact O-N 3.39Å; I148-L151 WeakPolarHBondContact O-CB 3.45Å; I148-L151 PolarHBondContact O-N 3.2Å; I148-L151 VanDerWaalsContact O-N 3.1Å; L151-V153 PolarHBondContact O-N 2.94Å; L151-V153 VanDerWaalsContact O-N 3.12Å; L151-M154 HydrophobicContact CD2-SD 4.15Å; L151-M154 WeakPolarHBondContact O-CB 3.29Å; L151-M154 PolarHBondContact O-N 3.39Å; L151-F158 HydrophobicContact CB-CB 4.03Å; L151-F158 HydrophobicContact CB-CD2 4.22Å; L151-F158 HydrophobicContact CB-CG 4.05Å; L151-F158 HydrophobicContact CD1-CD1 4.01Å; L151-F158 HydrophobicContact CD1-CD2 4.31Å; L151-F158 HydrophobicContact CD1-CE1 4.09Å; L151-F158 HydrophobicContact CD1-CE2 4.4Å; L151-F158 HydrophobicContact CD1-CG 4.12Å; L151-F158 HydrophobicContact CD1-CZ 4.29Å |
| 152 | K | 84.3 | Confident | 87.2 | Confident | 134 Ų | 134 | 52.7 Ų | 52.7 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -57.8 | -24.9 | 176.1 | -167.7 | 172.7 | -177.5 | 176.4 | 0 | 113.8 | I148 K149 K150 M154 G155 | I148-K152 PolarHBondContact O-N 3.47Å; K149-K152 WeakPolarHBondContact O-CB 3.45Å; K150-K152 PolarHBondContact O-N 3.02Å; K152-M154 PolarHBondContact O-N 3.35Å; K152-G155 PolarHBondContact O-N 2.89Å; K152-G155 VanDerWaalsContact O-O 3.1Å |
| 153 | V | 79.1 | Confident | 87 | Confident | 122 Ų | 122 | 50.3 Ų | 50.3 | 74% | 0.739 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -70.5 | -17.8 | 176.8 | -48 | 0 | 0 | 0 | 0 | 112.8 | K150 L151 G155 | K150-V153 WeakPolarHBondContact O-CG2 3.42Å; K150-V153 PolarHBondContact O-N 3.29Å; K150-V153 VanDerWaalsContact O-N 3.11Å; L151-V153 PolarHBondContact O-N 2.94Å; L151-V153 VanDerWaalsContact O-N 3.12Å; V153-G155 VanDerWaalsContact C-N 3.25Å; V153-G155 PolarHBondContact O-N 2.91Å |
| 154 | M | 75.9 | Confident | 86.4 | Confident | 155 Ų | 155 | 53.4 Ų | 53.4 | 76% | 0.764 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -80.4 | -6.8 | 177.8 | -58.6 | -178.2 | 67.1 | 0 | 0 | 112.8 | L151 K152 | L151-M154 HydrophobicContact CD2-SD 4.15Å; L151-M154 WeakPolarHBondContact O-CB 3.29Å; L151-M154 PolarHBondContact O-N 3.39Å; K152-M154 PolarHBondContact O-N 3.35Å |
| 155 | G | 76.6 | Confident | 85.8 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | trans | 134.4 | -169.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K152 V153 G157 | K152-G155 PolarHBondContact O-N 2.89Å; K152-G155 VanDerWaalsContact O-O 3.1Å; V153-G155 VanDerWaalsContact C-N 3.25Å; V153-G155 PolarHBondContact O-N 2.91Å; G155-G157 PolarHBondContact O-N 2.92Å | ||
| 156 | N | 73.7 | Confident | 85.5 | Confident | 147 Ų | 147 | 57.9 Ų | 57.9 | 79% | 0.786 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 20.3 | -174.9 | -64.2 | -17.9 | 0 | 0 | 0 | 114.1 | ||
| 157 | G | 81.3 | Confident | 85.7 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -28.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G155 S171 V172 | G155-G157 PolarHBondContact O-N 2.92Å; G157-S171 CarbonylContact O-C 3.54Å; G157-S171 WeakPolarHBondContact O-CA 3.42Å; G157-V172 PolarHBondContact O-N 3.49Å |
| 158 | F | 90.4 | Very high | 85.7 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 13% | 0.127 | 36% | 0.358 | C | S | . | . | trans | -120.3 | 131.2 | -178.5 | -80.2 | -94.6 | 0 | 0 | 0 | 112.4 | I104 I105 C108 I148 L151 V169 Q170 | I104-F158 HydrophobicContact CG2-CE1 3.95Å; I105-F158 HydrophobicContact CB-CZ 4.33Å; I105-F158 HydrophobicContact CG1-CE2 3.8Å; I105-F158 HydrophobicContact CG1-CZ 3.66Å; C108-F158 HydrophobicContact CB-CE1 4.37Å; C108-F158 HydrophobicContact CB-CZ 4.41Å; I148-F158 HydrophobicContact CG2-CB 4.48Å; L151-F158 HydrophobicContact CB-CB 4.03Å; L151-F158 HydrophobicContact CB-CD2 4.22Å; L151-F158 HydrophobicContact CB-CG 4.05Å; L151-F158 HydrophobicContact CD1-CD1 4.01Å; L151-F158 HydrophobicContact CD1-CD2 4.31Å; L151-F158 HydrophobicContact CD1-CE1 4.09Å; L151-F158 HydrophobicContact CD1-CE2 4.4Å; L151-F158 HydrophobicContact CD1-CG 4.12Å; L151-F158 HydrophobicContact CD1-CZ 4.29Å; F158-V169 HydrophobicContact CD1-CG1 4.4Å; F158-Q170 CarbonylContact C-O 2.93Å; F158-Q170 VanDerWaalsContact CA-O 3.23Å; F158-Q170 WeakPolarHBondContact CA-O 3.41Å | ||
| 159 | G | 90 | Very high | 85.8 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 13% | 0.134 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 161.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | V169 Q170 | G159-V169 WeakPolarHBondContact O-CA 3.37Å; G159-Q170 PolarHBondContact N-O 3.23Å; G159-Q170 PolarHBondContact O-N 2.94Å |
| 160 | M | 91.7 | Very high | 86 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 27% | 0.271 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.3 | 169.8 | -63.4 | -176 | -52.3 | 0 | 0 | 108.2 | V145 I148 K149 Y167 L168 | V145-M160 HydrophobicContact CB-SD 4.3Å; V145-M160 HydrophobicContact CG1-CE 3.98Å; V145-M160 HydrophobicContact CG1-SD 3.93Å; V145-M160 HydrophobicContact CG2-SD 4.2Å; I148-M160 HydrophobicContact CB-CG 4.47Å; I148-M160 HydrophobicContact CB-SD 4.33Å; I148-M160 HydrophobicContact CD1-SD 4.5Å; I148-M160 HydrophobicContact CG2-CG 3.67Å; I148-M160 HydrophobicContact CG2-SD 4.13Å; K149-M160 HydrophobicContact CG-CE 3.98Å; M160-Y167 HydrophobicContact CB-CD1 4.23Å; M160-L168 CarbonylContact C-O 3.59Å; M160-L168 WeakPolarHBondContact CA-O 3.47Å |
| 161 | I | 91.2 | Very high | 86.3 | Confident | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118 | -180 | -55 | 173.1 | 0 | 0 | 0 | 106.7 | L118 V163 Y167 L168 Q170 L176 T181 L184 | L118-I161 HydrophobicContact CD2-CD1 3.99Å; I161-V163 HydrophobicContact CG2-CG1 4.42Å; I161-V163 PolarHBondContact O-N 3.49Å; I161-Y167 WeakPolarHBondContact O-CA 3.49Å; I161-L168 HydrophobicContact CB-CB 4.24Å; I161-L168 PolarHBondContact N-O 2.87Å; I161-L168 PolarHBondContact O-N 3.48Å; I161-Q170 HydrophobicContact CD1-CB 4.42Å; I161-L176 HydrophobicContact CD1-CD1 3.59Å; I161-T181 HydrophobicContact CG2-CG2 3.78Å; I161-L184 HydrophobicContact CD1-CD1 4.03Å; I161-L184 HydrophobicContact CG2-CD1 4.32Å |
| 162 | P | 90.3 | Very high | 86.2 | Confident | 69 Ų | 69 | 54.4 Ų | 54.4 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 123.8 | 177.3 | 27.9 | -32.3 | 0 | 0 | 0 | 109.7 | Y167 Q185 | P162-Y167 HydrophobicContact CB-CD1 4.34Å; P162-Y167 HydrophobicContact CB-CE1 4.16Å; P162-Q185 PolarHBondContact O-NE2 2.65Å |
| 163 | V | 86.8 | Confident | 86.1 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 118.3 | 172.7 | -65.6 | 0 | 0 | 0 | 0 | 109.2 | I161 G165 S166 L168 L184 Q185 E188 | I161-V163 HydrophobicContact CG2-CG1 4.42Å; I161-V163 PolarHBondContact O-N 3.49Å; V163-G165 PolarHBondContact O-N 3.34Å; V163-S166 PolarHBondContact N-O 3.47Å; V163-S166 VanDerWaalsContact N-O 3.14Å; V163-S166 CarbonylContact O-C 3.14Å; V163-S166 PolarHBondContact O-N 2.9Å; V163-L168 HydrophobicContact CG1-CD1 3.71Å; V163-L168 HydrophobicContact CG1-CG 4.06Å; V163-L168 HydrophobicContact CG2-CD1 4.29Å; V163-L168 HydrophobicContact CG2-CG 3.79Å; V163-L184 HydrophobicContact CG1-CB 4.26Å; V163-Q185 HydrophobicContact CB-CG 4.31Å; V163-Q185 HydrophobicContact CG1-CG 4.07Å; V163-E188 HydrophobicContact CB-CG 4.4Å; V163-E188 HydrophobicContact CG2-CG 4.4Å; V163-E188 VanDerWaalsContact O-OE1 3.13Å |
| 164 | G | 79.3 | Confident | 86.1 | Confident | 65 Ų | 65 | 47.6 Ų | 47.6 | 67% | 0.67 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | -111.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E188 | G164-E188 WeakPolarHBondContact CA-OE2 3.46Å; G164-E188 PolarHBondContact N-OE2 3.1Å; G164-E188 VanDerWaalsContact N-OE2 3.11Å |
| 165 | G | 81.4 | Confident | 86.4 | Confident | 86 Ų | 86 | 48.7 Ų | 48.7 | 89% | 0.887 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 0.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V163 | V163-G165 PolarHBondContact O-N 3.34Š|
| 166 | S | 87.2 | Confident | 86.9 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | -162.7 | -174.9 | -166.4 | 0 | 0 | 0 | 0 | 111.1 | D122 V163 | D122-S166 PolarHBondContact OD2-OG 3.08Å; V163-S166 PolarHBondContact N-O 3.47Å; V163-S166 VanDerWaalsContact N-O 3.14Å; V163-S166 CarbonylContact O-C 3.14Å; V163-S166 PolarHBondContact O-N 2.9Å |
| 167 | Y | 92.1 | Very high | 87.7 | Confident | 104 Ų | 104 | 45.6 Ų | 45.6 | 41% | 0.408 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.7 | 179.6 | -65.3 | -89.6 | 0 | 0 | 0 | 111.2 | L121 M160 I161 P162 | L121-Y167 WeakPolarHBondContact CB-O 3.25Å; L121-Y167 HydrophobicContact CD2-CD2 4.28Å; L121-Y167 PolarHBondContact N-O 3.35Å; M160-Y167 HydrophobicContact CB-CD1 4.23Å; I161-Y167 WeakPolarHBondContact O-CA 3.49Å; P162-Y167 HydrophobicContact CB-CD1 4.34Å; P162-Y167 HydrophobicContact CB-CE1 4.16Å |
| 168 | L | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.8 | 158.9 | -76.3 | 172.8 | 0 | 0 | 0 | 109 | I119 T120 M160 I161 V163 L184 A238 L239 | I119-L168 CarbonylContact O-C 3.54Å; I119-L168 WeakPolarHBondContact O-CA 3.48Å; T120-L168 HydrophobicContact CG2-CD2 3.86Å; M160-L168 CarbonylContact C-O 3.59Å; M160-L168 WeakPolarHBondContact CA-O 3.47Å; I161-L168 HydrophobicContact CB-CB 4.24Å; I161-L168 PolarHBondContact N-O 2.87Å; I161-L168 PolarHBondContact O-N 3.48Å; V163-L168 HydrophobicContact CG1-CD1 3.71Å; V163-L168 HydrophobicContact CG1-CG 4.06Å; V163-L168 HydrophobicContact CG2-CD1 4.29Å; V163-L168 HydrophobicContact CG2-CG 3.79Å; L168-L184 HydrophobicContact CD1-CB 4.35Å; L168-L184 HydrophobicContact CD1-CD1 4.22Å; L168-L184 HydrophobicContact CD1-CD2 4.46Å; L168-A238 HydrophobicContact CD2-CB 4.43Å; L168-L239 HydrophobicContact CD1-CD2 4.25Å; L168-L239 HydrophobicContact CD2-CD2 3.86Å; L168-L239 HydrophobicContact CG-CD2 4.38Å |
| 169 | V | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 122.4 | 172 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | L118 I119 L121 L124 I148 F158 G159 | L118-V169 WeakPolarHBondContact CA-O 3.43Å; I119-V169 HydrophobicContact CG2-CB 3.89Å; I119-V169 PolarHBondContact N-O 2.76Å; I119-V169 PolarHBondContact O-N 3.05Å; L121-V169 HydrophobicContact CD1-CG2 4.22Å; L124-V169 HydrophobicContact CD2-CB 4.29Å; L124-V169 HydrophobicContact CD2-CG1 4.28Å; L124-V169 HydrophobicContact CD2-CG2 3.82Å; I148-V169 HydrophobicContact CD1-CB 4.34Å; I148-V169 HydrophobicContact CD1-CG1 3.79Å; I148-V169 HydrophobicContact CD1-CG2 3.56Å; I148-V169 HydrophobicContact CG1-CG1 4.29Å; I148-V169 HydrophobicContact CG2-CG1 4.47Å; F158-V169 HydrophobicContact CD1-CG1 4.4Å; G159-V169 WeakPolarHBondContact O-CA 3.37Å |
| 170 | Q | 93.4 | Very high | 88.6 | Confident | 26 Ų | 26 | 51 Ų | 51 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127.5 | 172.3 | -178.3 | -179.2 | 23.5 | 0 | 0 | 108.5 | G117 L118 F158 G159 I161 V172 A174 | G117-Q170 WeakPolarHBondContact O-CA 3.27Å; L118-Q170 HydrophobicContact CD2-CB 3.85Å; L118-Q170 HydrophobicContact CD2-CG 4.2Å; F158-Q170 CarbonylContact C-O 2.93Å; F158-Q170 VanDerWaalsContact CA-O 3.23Å; F158-Q170 WeakPolarHBondContact CA-O 3.41Å; G159-Q170 PolarHBondContact N-O 3.23Å; G159-Q170 PolarHBondContact O-N 2.94Å; I161-Q170 HydrophobicContact CD1-CB 4.42Å; Q170-V172 WeakPolarHBondContact CG-O 3.35Å; Q170-V172 PolarHBondContact NE2-O 3.33Å; Q170-V172 VanDerWaalsContact NE2-O 3.13Å; Q170-A174 PolarHBondContact NE2-O 3.5Å; Q170-A174 VanDerWaalsContact NE2-O 3.08Å |
| 171 | S | 92.1 | Very high | 88.6 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | trans | -120.1 | 2.3 | -178.7 | 69 | 0 | 0 | 0 | 0 | 114 | C108 G117 G157 | C108-S171 VanDerWaalsContact CB-CB 3.44Å; G117-S171 PolarHBondContact O-N 3.32Å; G117-S171 PolarHBondContact O-OG 2.97Å; G157-S171 CarbonylContact O-C 3.54Å; G157-S171 WeakPolarHBondContact O-CA 3.42Å | ||
| 172 | V | 86.4 | Confident | 88.8 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -126.4 | 141.8 | 173.3 | -62.6 | 0 | 0 | 0 | 0 | 109.2 | K112 G116 G157 Q170 A174 | K112-V172 HydrophobicContact CD-CG1 3.84Å; K112-V172 HydrophobicContact CG-CG1 4.19Å; G116-V172 WeakPolarHBondContact O-CG2 3.45Å; G157-V172 PolarHBondContact O-N 3.49Å; Q170-V172 WeakPolarHBondContact CG-O 3.35Å; Q170-V172 PolarHBondContact NE2-O 3.33Å; Q170-V172 VanDerWaalsContact NE2-O 3.13Å; V172-A174 PolarHBondContact O-N 2.88Å |
| 173 | P | 81.1 | Confident | 89 | Confident | 95 Ų | 95 | 47.3 Ų | 47.3 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | trans | -60.3 | 114.7 | 170.8 | -19.2 | 31.1 | 0 | 0 | 0 | 109.3 | ||||
| 174 | A | 80.1 | Confident | 89.3 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | trans | -139.3 | 136.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108 | Q170 V172 L176 | Q170-A174 PolarHBondContact NE2-O 3.5Å; Q170-A174 VanDerWaalsContact NE2-O 3.08Å; V172-A174 PolarHBondContact O-N 2.88Å; A174-L176 HydrophobicContact CB-CG 4.25Å; A174-L176 PolarHBondContact O-N 3.35Å | ||
| 175 | E | 81.7 | Confident | 89.9 | Confident | 177 Ų | 177 | 47.7 Ų | 47.7 | 83% | 0.827 | 27% | 0.27 | S | S | * | . | trans | -79.1 | 72.2 | -179.7 | -66.6 | -170.4 | 174.8 | 0 | 0 | 110.6 | N177 | E175-N177 PolarHBondContact O-N 3.45Š| ||
| 176 | L | 87 | Confident | 90.5 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | trans | -82.9 | 105.4 | 175.5 | -59.8 | 178.6 | 0 | 0 | 0 | 109.6 | I161 A174 H180 L184 L216 L221 | I161-L176 HydrophobicContact CD1-CD1 3.59Å; A174-L176 HydrophobicContact CB-CG 4.25Å; A174-L176 PolarHBondContact O-N 3.35Å; L176-H180 HydrophobicContact CB-CB 4.12Å; L176-H180 HydrophobicContact CD2-CB 3.83Å; L176-L184 HydrophobicContact CD1-CD1 4.33Å; L176-L216 HydrophobicContact CD2-CD2 4.26Å; L176-L221 HydrophobicContact CD1-CD1 4.22Å; L176-L221 HydrophobicContact CD2-CD1 3.87Å | ||
| 177 | N | 90.2 | Very high | 90.8 | Very high | 83 Ų | 83 | 44.2 Ų | 44.2 | 44% | 0.444 | 23% | 0.229 | S | C | . | . | trans | -76.1 | -177.9 | 170.9 | 73.7 | 17.4 | 0 | 0 | 0 | 112.1 | E175 D179 H180 T181 | E175-N177 PolarHBondContact O-N 3.45Å; N177-D179 PolarHBondContact O-N 3.36Å; N177-D179 WeakPolarHBondContact OD1-CA 3.44Å; N177-D179 VanDerWaalsContact OD1-CB 3.31Å; N177-D179 WeakPolarHBondContact OD1-CB 3.21Å; N177-D179 PolarHBondContact OD1-N 3.04Å; N177-H180 VanDerWaalsContact CG-ND1 3.29Å; N177-H180 PolarHBondContact N-ND1 3.08Å; N177-H180 VanDerWaalsContact N-ND1 3.18Å; N177-H180 PolarHBondContact O-N 2.81Å; N177-H180 PolarHBondContact OD1-CE1 2.9Å; N177-H180 PolarHBondContact OD1-N 3.1Å; N177-H180 PolarHBondContact OD1-ND1 3.37Å; N177-T181 PolarHBondContact O-N 3.02Å; N177-T181 PolarHBondContact O-OG1 3.19Å | ||
| 178 | M | 91.4 | Very high | 90.6 | Very high | 138 Ų | 138 | 42.1 Ų | 42.1 | 68% | 0.68 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58.7 | -35 | 179 | -170.7 | 63.6 | 72.6 | 0 | 0 | 112.7 | H180 T181 V182 | M178-H180 PolarHBondContact O-N 3.23Å; M178-T181 WeakPolarHBondContact O-CB 3.22Å; M178-T181 PolarHBondContact O-N 3.25Å; M178-V182 HydrophobicContact CG-CG2 4.42Å; M178-V182 WeakPolarHBondContact O-CG2 3.39Å; M178-V182 PolarHBondContact O-N 2.96Å |
| 179 | D | 94.8 | Very high | 90.1 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 17% | 0.171 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -43.7 | -178 | -71 | 5.4 | 0 | 0 | 0 | 111.5 | N177 T181 V182 V183 W204 R208 V212 | N177-D179 PolarHBondContact O-N 3.36Å; N177-D179 WeakPolarHBondContact OD1-CA 3.44Å; N177-D179 VanDerWaalsContact OD1-CB 3.31Å; N177-D179 WeakPolarHBondContact OD1-CB 3.21Å; N177-D179 PolarHBondContact OD1-N 3.04Å; D179-T181 VanDerWaalsContact C-N 3.3Å; D179-T181 PolarHBondContact O-N 3.03Å; D179-V182 PolarHBondContact O-N 3.02Å; D179-V183 WeakPolarHBondContact O-CG2 3.46Å; D179-V183 PolarHBondContact O-N 3.14Å; D179-W204 HydrophobicContact CB-CH2 3.43Å; D179-W204 VanDerWaalsContact CB-CH2 3.43Å; D179-W204 HydrophobicContact CB-CZ2 4.25Å; D179-W204 HydrophobicContact CB-CZ3 3.96Å; D179-R208 IonicContact OD1-CZ 3.08Å; D179-R208 IonicContact OD1-NE 3.3Å; D179-R208 IonicContact OD1-NH2 2.68Å; D179-R208 PolarHBondContact OD1-NH2 3.04Å; D179-R208 IonicContact OD2-CZ 3.65Å; D179-R208 VanDerWaalsContact OD2-CZ 3.3Å; D179-R208 IonicContact OD2-NE 3.3Å; D179-R208 PolarHBondContact OD2-NE 3.35Å; D179-R208 IonicContact OD2-NH2 3.57Å; D179-R208 PolarHBondContact OD2-NH2 3.35Å; D179-V212 HydrophobicContact CB-CG2 3.73Å |
| 180 | H | 93.9 | Very high | 89.8 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 173.1 | -56.6 | 94.1 | 0 | 0 | 0 | 110.8 | L176 N177 M178 V182 V183 L184 H215 | L176-H180 HydrophobicContact CB-CB 4.12Å; L176-H180 HydrophobicContact CD2-CB 3.83Å; N177-H180 VanDerWaalsContact CG-ND1 3.29Å; N177-H180 PolarHBondContact N-ND1 3.08Å; N177-H180 VanDerWaalsContact N-ND1 3.18Å; N177-H180 PolarHBondContact O-N 2.81Å; N177-H180 PolarHBondContact OD1-CE1 2.9Å; N177-H180 PolarHBondContact OD1-N 3.1Å; N177-H180 PolarHBondContact OD1-ND1 3.37Å; M178-H180 PolarHBondContact O-N 3.23Å; H180-V182 VanDerWaalsContact C-N 3.32Å; H180-V182 PolarHBondContact O-N 3.06Å; H180-V183 PolarHBondContact O-N 3.36Å; H180-V183 VanDerWaalsContact O-N 3.16Å; H180-L184 VanDerWaalsContact O-CG 3.27Å; H180-L184 WeakPolarHBondContact O-CG 3.29Å; H180-L184 PolarHBondContact O-N 3.13Å; H180-H215 AromaticContact CD2-ND1 3.65Å; H180-H215 AromaticContact CE1-ND1 3.77Å; H180-H215 WeakPolarHBondContact NE2-CB 3.49Å; H180-H215 AromaticContact NE2-CE1 3.86Å; H180-H215 AromaticContact NE2-CG 3.27Å; H180-H215 VanDerWaalsContact NE2-CG 3.27Å; H180-H215 AromaticContact NE2-ND1 3.1Å; H180-H215 PolarHBondContact NE2-ND1 3.2Å |
| 181 | T | 92.4 | Very high | 89.7 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | -180 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | I161 N177 M178 D179 L184 Q185 | I161-T181 HydrophobicContact CG2-CG2 3.78Å; N177-T181 PolarHBondContact O-N 3.02Å; N177-T181 PolarHBondContact O-OG1 3.19Å; M178-T181 WeakPolarHBondContact O-CB 3.22Å; M178-T181 PolarHBondContact O-N 3.25Å; D179-T181 VanDerWaalsContact C-N 3.3Å; D179-T181 PolarHBondContact O-N 3.03Å; T181-L184 PolarHBondContact O-N 3.41Å; T181-Q185 VanDerWaalsContact O-CG 3.32Å; T181-Q185 WeakPolarHBondContact O-CG 3.34Å; T181-Q185 PolarHBondContact O-N 2.97Å |
| 182 | V | 94.4 | Very high | 89.8 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 22% | 0.218 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | M178 D179 H180 Q185 L186 L202 | M178-V182 HydrophobicContact CG-CG2 4.42Å; M178-V182 WeakPolarHBondContact O-CG2 3.39Å; M178-V182 PolarHBondContact O-N 2.96Å; D179-V182 PolarHBondContact O-N 3.02Å; H180-V182 VanDerWaalsContact C-N 3.32Å; H180-V182 PolarHBondContact O-N 3.06Å; V182-Q185 WeakPolarHBondContact O-CB 3.47Å; V182-Q185 PolarHBondContact O-N 3.33Å; V182-L186 PolarHBondContact O-N 3.31Å; V182-L202 HydrophobicContact CB-CD1 4.4Å; V182-L202 HydrophobicContact CG1-CD1 3.52Å; V182-L202 HydrophobicContact CG1-CD2 3.48Å; V182-L202 VanDerWaalsContact CG1-CD2 3.48Å; V182-L202 HydrophobicContact CG1-CG 4.16Å |
| 183 | V | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | D179 H180 Q185 L186 A187 V193 I198 L202 W204 V212 L213 L216 | D179-V183 WeakPolarHBondContact O-CG2 3.46Å; D179-V183 PolarHBondContact O-N 3.14Å; H180-V183 PolarHBondContact O-N 3.36Å; H180-V183 VanDerWaalsContact O-N 3.16Å; V183-Q185 VanDerWaalsContact C-N 3.31Å; V183-Q185 PolarHBondContact O-N 3.26Å; V183-L186 WeakPolarHBondContact O-CB 3.17Å; V183-L186 PolarHBondContact O-N 3.11Å; V183-A187 PolarHBondContact O-N 2.84Å; V183-V193 HydrophobicContact CG1-CG1 3.94Å; V183-V193 HydrophobicContact CG1-CG2 4.29Å; V183-I198 HydrophobicContact CG1-CD1 4.09Å; V183-I198 HydrophobicContact CG2-CD1 3.93Å; V183-I198 HydrophobicContact CG2-CG1 4.27Å; V183-L202 HydrophobicContact CG2-CD1 4.34Å; V183-W204 HydrophobicContact CG2-CH2 4.25Å; V183-W204 HydrophobicContact CG2-CZ3 3.94Å; V183-V212 HydrophobicContact CB-CG1 4.02Å; V183-V212 HydrophobicContact CG1-CG1 4.32Å; V183-V212 HydrophobicContact CG2-CG1 3.75Å; V183-L213 HydrophobicContact CG1-CD2 4.45Å; V183-L216 HydrophobicContact CG1-CD1 4.08Å |
| 184 | L | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 172.7 | -68.4 | 176.9 | 0 | 0 | 0 | 111.5 | L118 I161 V163 L168 L176 H180 T181 A187 E188 L236 | L118-L184 HydrophobicContact CD1-CD1 4.23Å; L118-L184 HydrophobicContact CD1-CD2 4.15Å; I161-L184 HydrophobicContact CD1-CD1 4.03Å; I161-L184 HydrophobicContact CG2-CD1 4.32Å; V163-L184 HydrophobicContact CG1-CB 4.26Å; L168-L184 HydrophobicContact CD1-CB 4.35Å; L168-L184 HydrophobicContact CD1-CD1 4.22Å; L168-L184 HydrophobicContact CD1-CD2 4.46Å; L176-L184 HydrophobicContact CD1-CD1 4.33Å; H180-L184 VanDerWaalsContact O-CG 3.27Å; H180-L184 WeakPolarHBondContact O-CG 3.29Å; H180-L184 PolarHBondContact O-N 3.13Å; T181-L184 PolarHBondContact O-N 3.41Å; L184-A187 PolarHBondContact O-N 2.94Å; L184-E188 PolarHBondContact O-N 2.81Å; L184-E188 VanDerWaalsContact O-N 3.15Å; L184-L236 HydrophobicContact CD2-CD2 3.13Å |
| 185 | Q | 92.6 | Very high | 91.8 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 175 | -75.8 | 172 | -3.4 | 0 | 0 | 112.5 | P162 V163 T181 V182 V183 A187 E188 | P162-Q185 PolarHBondContact O-NE2 2.65Å; V163-Q185 HydrophobicContact CB-CG 4.31Å; V163-Q185 HydrophobicContact CG1-CG 4.07Å; T181-Q185 VanDerWaalsContact O-CG 3.32Å; T181-Q185 WeakPolarHBondContact O-CG 3.34Å; T181-Q185 PolarHBondContact O-N 2.97Å; V182-Q185 WeakPolarHBondContact O-CB 3.47Å; V182-Q185 PolarHBondContact O-N 3.33Å; V183-Q185 VanDerWaalsContact C-N 3.31Å; V183-Q185 PolarHBondContact O-N 3.26Å; Q185-A187 VanDerWaalsContact C-N 3.32Å; Q185-A187 PolarHBondContact O-N 3.34Å; Q185-E188 WeakPolarHBondContact O-CB 3.38Å; Q185-E188 PolarHBondContact O-N 2.99Å |
| 186 | L | 93.3 | Very high | 92.4 | Very high | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.199 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 177.4 | -174 | 61.5 | 0 | 0 | 0 | 111.4 | V182 V183 E188 V193 E197 I198 L202 | V182-L186 PolarHBondContact O-N 3.31Å; V183-L186 WeakPolarHBondContact O-CB 3.17Å; V183-L186 PolarHBondContact O-N 3.11Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-E188 PolarHBondContact O-N 2.54Å; L186-V193 HydrophobicContact CD2-CG2 4.27Å; L186-E197 HydrophobicContact CD2-CG 4.09Å; L186-E197 HydrophobicContact CG-CG 4.38Å; L186-I198 HydrophobicContact CD2-CG1 4Å; L186-L202 HydrophobicContact CD2-CG 4.47Å |
| 187 | A | 92.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.3 | -17.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V183 L184 Q185 K189 K190 G191 V193 L236 L239 | V183-A187 PolarHBondContact O-N 2.84Å; L184-A187 PolarHBondContact O-N 2.94Å; Q185-A187 VanDerWaalsContact C-N 3.32Å; Q185-A187 PolarHBondContact O-N 3.34Å; A187-K189 PolarHBondContact O-N 3.22Å; A187-K190 PolarHBondContact O-N 3.1Å; A187-K190 VanDerWaalsContact O-N 3.09Å; A187-G191 WeakPolarHBondContact O-CA 3.11Å; A187-G191 PolarHBondContact O-N 2.99Å; A187-V193 HydrophobicContact CB-CB 4.23Å; A187-V193 HydrophobicContact CB-CG1 4.2Å; A187-L236 HydrophobicContact CB-CD1 3.6Å; A187-L239 HydrophobicContact CB-CD1 3.77Å |
| 188 | E | 88.5 | Confident | 93.1 | Very high | 61 Ų | 61 | 41.1 Ų | 41.1 | 29% | 0.285 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -39.8 | -174.8 | -171.8 | -167.3 | -176.9 | 0 | 0 | 113.3 | V163 G164 L184 Q185 L186 | V163-E188 HydrophobicContact CB-CG 4.4Å; V163-E188 HydrophobicContact CG2-CG 4.4Å; V163-E188 VanDerWaalsContact O-OE1 3.13Å; G164-E188 WeakPolarHBondContact CA-OE2 3.46Å; G164-E188 PolarHBondContact N-OE2 3.1Å; G164-E188 VanDerWaalsContact N-OE2 3.11Å; L184-E188 PolarHBondContact O-N 2.81Å; L184-E188 VanDerWaalsContact O-N 3.15Å; Q185-E188 WeakPolarHBondContact O-CB 3.38Å; Q185-E188 PolarHBondContact O-N 2.99Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-E188 PolarHBondContact O-N 2.54Å |
| 189 | K | 82.9 | Confident | 93.4 | Very high | 197 Ų | 197 | 40.1 Ų | 40.1 | 86% | 0.857 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -31.2 | -175.5 | -66.3 | -176.1 | 179.9 | 178.3 | 0 | 114.5 | A187 | A187-K189 PolarHBondContact O-N 3.22Š|
| 190 | K | 88.9 | Confident | 93.5 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 44% | 0.443 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -19.9 | -172.5 | -68.6 | 178.7 | -179 | 168.5 | 0 | 113.1 | A187 Y192 E197 | A187-K190 PolarHBondContact O-N 3.1Å; A187-K190 VanDerWaalsContact O-N 3.09Å; K190-Y192 HydrophobicContact CB-CD1 4Å; K190-Y192 HydrophobicContact CB-CE1 3.95Å; K190-Y192 HydrophobicContact CD-CE1 4.42Å; K190-Y192 HydrophobicContact CD-CE2 4.38Å; K190-Y192 WeakPolarHBondContact O-CD1 3.34Å; K190-Y192 PolarHBondContact O-N 3.12Å; K190-E197 IonicContact NZ-OE1 2.79Å; K190-E197 PolarHBondContact NZ-OE1 3.5Å; K190-E197 IonicContact NZ-OE2 3.36Å; K190-E197 PolarHBondContact NZ-OE2 3.22Å; K190-E197 VanDerWaalsContact NZ-OE2 3.14Å |
| 191 | G | 91.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 78 | -6.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A187 L236 | A187-G191 WeakPolarHBondContact O-CA 3.11Å; A187-G191 PolarHBondContact O-N 2.99Å; G191-L236 PolarHBondContact O-N 3.37Å |
| 192 | Y | 93.9 | Very high | 93.7 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 169.9 | 176.4 | 71.1 | -91.7 | 0 | 0 | 0 | 111.5 | K190 Q233 Y234 W235 | K190-Y192 HydrophobicContact CB-CD1 4Å; K190-Y192 HydrophobicContact CB-CE1 3.95Å; K190-Y192 HydrophobicContact CD-CE1 4.42Å; K190-Y192 HydrophobicContact CD-CE2 4.38Å; K190-Y192 WeakPolarHBondContact O-CD1 3.34Å; K190-Y192 PolarHBondContact O-N 3.12Å; Y192-Q233 HydrophobicContact CD2-CB 3.91Å; Y192-Q233 HydrophobicContact CD2-CG 3.76Å; Y192-Q233 HydrophobicContact CE2-CB 4.48Å; Y192-Q233 VanDerWaalsContact CE2-CD 3.41Å; Y192-Q233 HydrophobicContact CE2-CG 3.83Å; Y192-Q233 HydrophobicContact CG-CB 4.41Å; Y192-Y234 CarbonylContact C-O 3.57Å; Y192-Y234 WeakPolarHBondContact CA-O 3.41Å; Y192-Y234 WeakPolarHBondContact CB-O 3.28Å; Y192-W235 HydrophobicContact CD1-CD2 4.12Å; Y192-W235 AromaticContact CD1-CE2 3.87Å; Y192-W235 AromaticContact CD1-CE3 3.97Å; Y192-W235 HydrophobicContact CD1-CE3 3.97Å; Y192-W235 AromaticContact CD1-CH2 3.36Å; Y192-W235 HydrophobicContact CD1-CH2 3.36Å; Y192-W235 AromaticContact CD1-CZ2 3.5Å; Y192-W235 HydrophobicContact CD1-CZ2 3.5Å; Y192-W235 AromaticContact CD1-CZ3 3.6Å; Y192-W235 HydrophobicContact CD1-CZ3 3.6Å; Y192-W235 AromaticContact CE1-CH2 3.78Å; Y192-W235 HydrophobicContact CE1-CH2 3.78Å; Y192-W235 AromaticContact CE1-CZ2 3.93Å; Y192-W235 HydrophobicContact CE1-CZ2 3.93Å; Y192-W235 HydrophobicContact CE1-CZ3 4.39Å; Y192-W235 HydrophobicContact CG-CD2 4.15Å; Y192-W235 AromaticContact CG-CE2 3.99Å; Y192-W235 HydrophobicContact CG-CE3 4.34Å; Y192-W235 HydrophobicContact CG-CH2 4.28Å; Y192-W235 HydrophobicContact CG-CZ2 4.07Å; Y192-W235 HydrophobicContact CG-CZ3 4.41Å |
| 193 | V | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 149.8 | 177.4 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | V183 L186 A187 I198 L213 Y234 L236 | V183-V193 HydrophobicContact CG1-CG1 3.94Å; V183-V193 HydrophobicContact CG1-CG2 4.29Å; L186-V193 HydrophobicContact CD2-CG2 4.27Å; A187-V193 HydrophobicContact CB-CB 4.23Å; A187-V193 HydrophobicContact CB-CG1 4.2Å; V193-I198 HydrophobicContact CG2-CD1 3.48Å; V193-I198 VanDerWaalsContact CG2-CD1 3.48Å; V193-I198 HydrophobicContact CG2-CG1 3.31Å; V193-L213 HydrophobicContact CG1-CD2 3.9Å; V193-Y234 PolarHBondContact N-O 3.19Å; V193-Y234 WeakPolarHBondContact O-CB 3.17Å; V193-Y234 PolarHBondContact O-N 3.35Å; V193-L236 HydrophobicContact CG1-CD1 3.92Å |
| 194 | S | 96.3 | Very high | 94 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 164.6 | 172.9 | 75.7 | 0 | 0 | 0 | 0 | 112.3 | S196 E197 I198 E231 | S194-S196 VanDerWaalsContact C-N 3.34Å; S194-S196 PolarHBondContact O-N 2.88Å; S194-E197 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact OG-CB 3.21Å; S194-E197 PolarHBondContact OG-N 3Å; S194-E197 VanDerWaalsContact OG-N 3.17Å; S194-I198 WeakPolarHBondContact O-CG1 3.29Å; S194-I198 PolarHBondContact O-N 3.42Å; S194-I198 VanDerWaalsContact O-N 3.1Å; S194-E231 WeakPolarHBondContact CB-OE1 3.32Å; S194-E231 VanDerWaalsContact OG-CD 3.29Å; S194-E231 PolarHBondContact OG-OE1 3.47Å |
| 195 | V | 97 | Very high | 94.2 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 11% | 0.109 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 178.2 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | I198 R199 R206 A209 L213 Y234 | V195-I198 PolarHBondContact O-N 2.93Å; V195-R199 VanDerWaalsContact O-CG 3.24Å; V195-R199 WeakPolarHBondContact O-CG 3.42Å; V195-R199 PolarHBondContact O-N 3.48Å; V195-R199 VanDerWaalsContact O-N 3.13Å; V195-R206 HydrophobicContact CG1-CG 3.95Å; V195-A209 HydrophobicContact CG1-CB 4.33Å; V195-L213 HydrophobicContact CG2-CD1 3.7Å; V195-Y234 HydrophobicContact CG2-CE2 4.23Å |
| 196 | S | 95.8 | Very high | 94.4 | Very high | 39 Ų | 39 | 68 Ų | 68 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | -179.7 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | S194 I198 R199 E200 E231 | S194-S196 VanDerWaalsContact C-N 3.34Å; S194-S196 PolarHBondContact O-N 2.88Å; S196-I198 PolarHBondContact O-N 2.92Å; S196-R199 PolarHBondContact O-N 2.96Å; S196-E200 WeakPolarHBondContact O-CB 3.33Å; S196-E200 WeakPolarHBondContact O-CG 3.44Å; S196-E200 PolarHBondContact O-N 2.99Å; S196-E231 WeakPolarHBondContact CB-OE1 3.38Å; S196-E231 WeakPolarHBondContact CB-OE2 3.44Å; S196-E231 PolarHBondContact N-OE2 3.08Å; S196-E231 VanDerWaalsContact N-OE2 3.11Å; S196-E231 VanDerWaalsContact OG-CD 3.28Å; S196-E231 PolarHBondContact OG-OE1 3.43Å; S196-E231 PolarHBondContact OG-OE2 2.9Å |
| 197 | E | 95.3 | Very high | 94.5 | Very high | 31 Ų | 31 | 72.9 Ų | 72.9 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.9 | -179.5 | 166.8 | -156 | 0 | 0 | 112.6 | L186 K190 S194 E200 S201 | L186-E197 HydrophobicContact CD2-CG 4.09Å; L186-E197 HydrophobicContact CG-CG 4.38Å; K190-E197 IonicContact NZ-OE1 2.79Å; K190-E197 PolarHBondContact NZ-OE1 3.5Å; K190-E197 IonicContact NZ-OE2 3.36Å; K190-E197 PolarHBondContact NZ-OE2 3.22Å; K190-E197 VanDerWaalsContact NZ-OE2 3.14Å; S194-E197 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact OG-CB 3.21Å; S194-E197 PolarHBondContact OG-N 3Å; S194-E197 VanDerWaalsContact OG-N 3.17Å; E197-E200 PolarHBondContact O-N 3.36Å; E197-S201 WeakPolarHBondContact O-CB 3.23Å; E197-S201 PolarHBondContact O-N 3.31Å; E197-S201 PolarHBondContact O-OG 3.11Å |
| 198 | I | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 174.5 | -70.7 | 170.6 | 0 | 0 | 0 | 110.5 | V183 L186 V193 S194 V195 S196 E200 L202 W204 A209 L213 | V183-I198 HydrophobicContact CG1-CD1 4.09Å; V183-I198 HydrophobicContact CG2-CD1 3.93Å; V183-I198 HydrophobicContact CG2-CG1 4.27Å; L186-I198 HydrophobicContact CD2-CG1 4Å; V193-I198 HydrophobicContact CG2-CD1 3.48Å; V193-I198 VanDerWaalsContact CG2-CD1 3.48Å; V193-I198 HydrophobicContact CG2-CG1 3.31Å; S194-I198 WeakPolarHBondContact O-CG1 3.29Å; S194-I198 PolarHBondContact O-N 3.42Å; S194-I198 VanDerWaalsContact O-N 3.1Å; V195-I198 PolarHBondContact O-N 2.93Å; S196-I198 PolarHBondContact O-N 2.92Å; I198-E200 VanDerWaalsContact C-N 3.35Å; I198-E200 PolarHBondContact O-N 3.07Å; I198-L202 HydrophobicContact CG2-CD1 4.14Å; I198-L202 WeakPolarHBondContact O-CA 3.15Å; I198-L202 VanDerWaalsContact O-CB 3.27Å; I198-L202 WeakPolarHBondContact O-CB 3.39Å; I198-L202 PolarHBondContact O-N 3.37Å; I198-W204 HydrophobicContact CG2-CB 4.37Å; I198-W204 HydrophobicContact CG2-CD2 4.34Å; I198-W204 HydrophobicContact CG2-CE3 3.76Å; I198-W204 HydrophobicContact CG2-CZ3 4.35Å; I198-A209 HydrophobicContact CB-CB 4.04Å; I198-A209 HydrophobicContact CD1-CB 4.23Å; I198-A209 HydrophobicContact CG2-CB 3.53Å; I198-L213 HydrophobicContact CD1-CD1 3.89Å; I198-L213 HydrophobicContact CD1-CD2 3.95Å; I198-L213 HydrophobicContact CD1-CG 3.92Å |
| 199 | R | 97.4 | Very high | 95.2 | Very high | 118 Ų | 118 | 75.1 Ų | 75.1 | 45% | 0.445 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | -178.1 | -68.7 | 174.7 | 67 | -147.1 | -1.6 | 111.5 | V195 S196 K203 W204 | V195-R199 VanDerWaalsContact O-CG 3.24Å; V195-R199 WeakPolarHBondContact O-CG 3.42Å; V195-R199 PolarHBondContact O-N 3.48Å; V195-R199 VanDerWaalsContact O-N 3.13Å; S196-R199 PolarHBondContact O-N 2.96Å; R199-K203 WeakPolarHBondContact O-CA 3.4Å; R199-K203 PolarHBondContact O-N 3.38Å; R199-W204 WeakPolarHBondContact CG-O 3.06Å |
| 200 | E | 96.3 | Very high | 95.8 | Very high | 137 Ų | 137 | 67.1 Ų | 67.1 | 64% | 0.64 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71.3 | -44.2 | -178.7 | -73.6 | 178.6 | -171.4 | 0 | 0 | 112.3 | S196 E197 I198 K203 | S196-E200 WeakPolarHBondContact O-CB 3.33Å; S196-E200 WeakPolarHBondContact O-CG 3.44Å; S196-E200 PolarHBondContact O-N 2.99Å; E197-E200 PolarHBondContact O-N 3.36Å; I198-E200 VanDerWaalsContact C-N 3.35Å; I198-E200 PolarHBondContact O-N 3.07Å; E200-K203 WeakPolarHBondContact O-CE 3.11Å; E200-K203 PolarHBondContact O-NZ 3.01Å |
| 201 | S | 95.7 | Very high | 96.2 | Very high | 65 Ų | 65 | 68.7 Ų | 68.7 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -78.7 | -43.5 | -175.5 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | E197 | E197-S201 WeakPolarHBondContact O-CB 3.23Å; E197-S201 PolarHBondContact O-N 3.31Å; E197-S201 PolarHBondContact O-OG 3.11Å |
| 202 | L | 95.6 | Very high | 96.5 | Very high | 43 Ų | 43 | 68.8 Ų | 68.8 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -99.1 | -5.8 | -174.9 | -52.2 | -175.3 | 0 | 0 | 0 | 113.7 | V182 V183 L186 I198 W204 | V182-L202 HydrophobicContact CB-CD1 4.4Å; V182-L202 HydrophobicContact CG1-CD1 3.52Å; V182-L202 HydrophobicContact CG1-CD2 3.48Å; V182-L202 VanDerWaalsContact CG1-CD2 3.48Å; V182-L202 HydrophobicContact CG1-CG 4.16Å; V183-L202 HydrophobicContact CG2-CD1 4.34Å; L186-L202 HydrophobicContact CD2-CG 4.47Å; I198-L202 HydrophobicContact CG2-CD1 4.14Å; I198-L202 WeakPolarHBondContact O-CA 3.15Å; I198-L202 VanDerWaalsContact O-CB 3.27Å; I198-L202 WeakPolarHBondContact O-CB 3.39Å; I198-L202 PolarHBondContact O-N 3.37Å; L202-W204 HydrophobicContact CB-CD2 4.05Å; L202-W204 HydrophobicContact CB-CG 3.92Å; L202-W204 HydrophobicContact CD1-CD2 4.13Å; L202-W204 HydrophobicContact CD1-CE3 4.24Å; L202-W204 HydrophobicContact CD1-CH2 3.87Å; L202-W204 HydrophobicContact CD1-CZ2 3.81Å; L202-W204 HydrophobicContact CD1-CZ3 4.11Å; L202-W204 PolarHBondContact O-N 3.38Å |
| 203 | K | 96.9 | Very high | 96.6 | Very high | 168 Ų | 168 | 66.3 Ų | 66.3 | 73% | 0.73 | 31% | 0.307 | S | S | * | . | trans | 56.6 | 34.9 | -175.4 | -52.9 | -54.3 | -176.4 | -159.8 | 0 | 113 | R199 E200 | R199-K203 WeakPolarHBondContact O-CA 3.4Å; R199-K203 PolarHBondContact O-N 3.38Å; E200-K203 WeakPolarHBondContact O-CE 3.11Å; E200-K203 PolarHBondContact O-NZ 3.01Å | ||
| 204 | W | 97.6 | Very high | 96.7 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | trans | -87.8 | 156.7 | 179.2 | -72.2 | 6.8 | 0 | 0 | 0 | 112.7 | D179 V183 I198 R199 L202 R208 V212 | D179-W204 HydrophobicContact CB-CH2 3.43Å; D179-W204 VanDerWaalsContact CB-CH2 3.43Å; D179-W204 HydrophobicContact CB-CZ2 4.25Å; D179-W204 HydrophobicContact CB-CZ3 3.96Å; V183-W204 HydrophobicContact CG2-CH2 4.25Å; V183-W204 HydrophobicContact CG2-CZ3 3.94Å; I198-W204 HydrophobicContact CG2-CB 4.37Å; I198-W204 HydrophobicContact CG2-CD2 4.34Å; I198-W204 HydrophobicContact CG2-CE3 3.76Å; I198-W204 HydrophobicContact CG2-CZ3 4.35Å; R199-W204 WeakPolarHBondContact CG-O 3.06Å; L202-W204 HydrophobicContact CB-CD2 4.05Å; L202-W204 HydrophobicContact CB-CG 3.92Å; L202-W204 HydrophobicContact CD1-CD2 4.13Å; L202-W204 HydrophobicContact CD1-CE3 4.24Å; L202-W204 HydrophobicContact CD1-CH2 3.87Å; L202-W204 HydrophobicContact CD1-CZ2 3.81Å; L202-W204 HydrophobicContact CD1-CZ3 4.11Å; L202-W204 PolarHBondContact O-N 3.38Å; W204-R208 HydrophobicContact CD2-CG 4.2Å; W204-R208 VanDerWaalsContact CE2-CZ 3.44Å; W204-R208 HydrophobicContact CE3-CG 3.82Å; W204-R208 HydrophobicContact CZ3-CG 4.35Å; W204-V212 HydrophobicContact CZ3-CG2 4.09Å | ||
| 205 | E | 97.5 | Very high | 96.7 | Very high | 145 Ų | 145 | 71.4 Ų | 71.4 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | trans | -70.7 | 152.8 | 167 | -63.9 | -168.5 | 161.1 | 0 | 0 | 111.1 | E207 R208 A209 | E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 3.06Å; E205-R208 PolarHBondContact O-N 3.41Å; E205-A209 PolarHBondContact O-N 2.93Å | ||
| 206 | R | 96.7 | Very high | 96.6 | Very high | 167 Ų | 167 | 70.6 Ų | 70.6 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.2 | -43.4 | -177.1 | -176.9 | -179.1 | -177.8 | -179.5 | 2 | 111.9 | V195 R208 A209 C210 | V195-R206 HydrophobicContact CG1-CG 3.95Å; R206-R208 PolarHBondContact O-N 3.2Å; R206-A209 PolarHBondContact O-N 2.97Å; R206-C210 PolarHBondContact O-N 3.35Å; R206-C210 PolarHBondContact O-SG 3.49Å; R206-C210 VanDerWaalsContact O-SG 3.34Å |
| 207 | E | 97.2 | Very high | 96.5 | Very high | 142 Ų | 142 | 71.3 Ų | 71.3 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.6 | -42.7 | -177 | -69.3 | 162.3 | -166.9 | 0 | 0 | 111.6 | E205 A209 C210 H211 | E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 3.06Å; E207-A209 PolarHBondContact O-N 3.42Å; E207-C210 PolarHBondContact O-N 3.34Å; E207-H211 WeakPolarHBondContact O-CB 3.48Å; E207-H211 PolarHBondContact O-CD2 3.19Å; E207-H211 PolarHBondContact O-N 3.48Å |
| 208 | R | 97 | Very high | 96.5 | Very high | 107 Ų | 107 | 77.7 Ų | 77.7 | 40% | 0.404 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 174.7 | -174.5 | 180 | -179.6 | -175.5 | 1 | 111.9 | D179 W204 E205 R206 H211 V212 | D179-R208 IonicContact OD1-CZ 3.08Å; D179-R208 IonicContact OD1-NE 3.3Å; D179-R208 IonicContact OD1-NH2 2.68Å; D179-R208 PolarHBondContact OD1-NH2 3.04Å; D179-R208 IonicContact OD2-CZ 3.65Å; D179-R208 VanDerWaalsContact OD2-CZ 3.3Å; D179-R208 IonicContact OD2-NE 3.3Å; D179-R208 PolarHBondContact OD2-NE 3.35Å; D179-R208 IonicContact OD2-NH2 3.57Å; D179-R208 PolarHBondContact OD2-NH2 3.35Å; W204-R208 HydrophobicContact CD2-CG 4.2Å; W204-R208 VanDerWaalsContact CE2-CZ 3.44Å; W204-R208 HydrophobicContact CE3-CG 3.82Å; W204-R208 HydrophobicContact CZ3-CG 4.35Å; E205-R208 PolarHBondContact O-N 3.41Å; R206-R208 PolarHBondContact O-N 3.2Å; R208-H211 PolarHBondContact O-N 2.89Å; R208-V212 WeakPolarHBondContact O-CG2 3.26Å; R208-V212 PolarHBondContact O-N 3.33Å |
| 209 | A | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V195 I198 E205 R206 E207 H211 V212 L213 | V195-A209 HydrophobicContact CG1-CB 4.33Å; I198-A209 HydrophobicContact CB-CB 4.04Å; I198-A209 HydrophobicContact CD1-CB 4.23Å; I198-A209 HydrophobicContact CG2-CB 3.53Å; E205-A209 PolarHBondContact O-N 2.93Å; R206-A209 PolarHBondContact O-N 2.97Å; E207-A209 PolarHBondContact O-N 3.42Å; A209-H211 PolarHBondContact O-N 2.86Å; A209-V212 PolarHBondContact O-N 3.36Å; A209-L213 VanDerWaalsContact O-CG 3.29Å; A209-L213 WeakPolarHBondContact O-CG 3.5Å; A209-L213 PolarHBondContact O-N 3.29Å; A209-L213 VanDerWaalsContact O-N 3.08Å |
| 210 | C | 96.6 | Very high | 96 | Very high | 29 Ų | 29 | 77.3 Ų | 77.3 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 177.1 | -69.3 | 0 | 0 | 0 | 0 | 112 | R206 E207 V212 L213 D214 | R206-C210 PolarHBondContact O-N 3.35Å; R206-C210 PolarHBondContact O-SG 3.49Å; R206-C210 VanDerWaalsContact O-SG 3.34Å; E207-C210 PolarHBondContact O-N 3.34Å; C210-V212 VanDerWaalsContact C-N 3.33Å; C210-V212 PolarHBondContact O-N 3.5Å; C210-L213 PolarHBondContact O-N 2.98Å; C210-D214 WeakPolarHBondContact O-CB 3.35Å; C210-D214 PolarHBondContact O-N 3Å |
| 211 | H | 96.9 | Very high | 95.9 | Very high | 135 Ų | 135 | 71 Ų | 71 | 63% | 0.625 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.2 | -42.8 | 177.7 | -80.8 | -167.2 | 0 | 0 | 0 | 113 | E207 R208 A209 H215 | E207-H211 WeakPolarHBondContact O-CB 3.48Å; E207-H211 PolarHBondContact O-CD2 3.19Å; E207-H211 PolarHBondContact O-N 3.48Å; R208-H211 PolarHBondContact O-N 2.89Å; A209-H211 PolarHBondContact O-N 2.86Å; H211-H215 WeakPolarHBondContact O-CB 3.41Å; H211-H215 PolarHBondContact O-N 3.49Å |
| 212 | V | 97 | Very high | 95.8 | Very high | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | D179 V183 W204 R208 A209 C210 H215 L216 | D179-V212 HydrophobicContact CB-CG2 3.73Å; V183-V212 HydrophobicContact CB-CG1 4.02Å; V183-V212 HydrophobicContact CG1-CG1 4.32Å; V183-V212 HydrophobicContact CG2-CG1 3.75Å; W204-V212 HydrophobicContact CZ3-CG2 4.09Å; R208-V212 WeakPolarHBondContact O-CG2 3.26Å; R208-V212 PolarHBondContact O-N 3.33Å; A209-V212 PolarHBondContact O-N 3.36Å; C210-V212 VanDerWaalsContact C-N 3.33Å; C210-V212 PolarHBondContact O-N 3.5Å; V212-H215 WeakPolarHBondContact O-CB 3.38Å; V212-H215 PolarHBondContact O-N 2.9Å; V212-L216 HydrophobicContact CG1-CD1 4.41Å; V212-L216 WeakPolarHBondContact O-CG 3.2Å; V212-L216 PolarHBondContact O-N 3.08Å |
| 213 | L | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 179.5 | -67.7 | 171.2 | 0 | 0 | 0 | 112.1 | V183 V193 V195 I198 A209 C210 H215 L216 L217 Y234 | V183-L213 HydrophobicContact CG1-CD2 4.45Å; V193-L213 HydrophobicContact CG1-CD2 3.9Å; V195-L213 HydrophobicContact CG2-CD1 3.7Å; I198-L213 HydrophobicContact CD1-CD1 3.89Å; I198-L213 HydrophobicContact CD1-CD2 3.95Å; I198-L213 HydrophobicContact CD1-CG 3.92Å; A209-L213 VanDerWaalsContact O-CG 3.29Å; A209-L213 WeakPolarHBondContact O-CG 3.5Å; A209-L213 PolarHBondContact O-N 3.29Å; A209-L213 VanDerWaalsContact O-N 3.08Å; C210-L213 PolarHBondContact O-N 2.98Å; L213-H215 VanDerWaalsContact C-N 3.28Å; L213-H215 PolarHBondContact O-N 3.47Å; L213-L216 PolarHBondContact O-N 2.96Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.17Å; L213-Y234 HydrophobicContact CB-CD1 3.84Å; L213-Y234 HydrophobicContact CB-CE1 3.68Å; L213-Y234 HydrophobicContact CB-CG 4.32Å; L213-Y234 HydrophobicContact CD1-CD1 4.43Å; L213-Y234 HydrophobicContact CD1-CD2 3.77Å; L213-Y234 HydrophobicContact CD1-CE1 4.28Å; L213-Y234 HydrophobicContact CD1-CE2 3.65Å; L213-Y234 HydrophobicContact CD1-CG 4.18Å; L213-Y234 HydrophobicContact CD2-CD1 4.05Å; L213-Y234 HydrophobicContact CD2-CD2 4.08Å; L213-Y234 HydrophobicContact CD2-CG 3.73Å; L213-Y234 HydrophobicContact CG-CD1 4.32Å; L213-Y234 HydrophobicContact CG-CD2 4.38Å; L213-Y234 HydrophobicContact CG-CE1 4.41Å; L213-Y234 HydrophobicContact CG-CG 4.29Å |
| 214 | D | 96.7 | Very high | 95.8 | Very high | 65 Ų | 65 | 69.1 Ų | 69.1 | 35% | 0.348 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 175.6 | -71.6 | -17.2 | 0 | 0 | 0 | 111.5 | C210 L217 K218 | C210-D214 WeakPolarHBondContact O-CB 3.35Å; C210-D214 PolarHBondContact O-N 3Å; D214-L217 PolarHBondContact O-N 2.79Å; D214-K218 WeakPolarHBondContact O-CB 3.42Å; D214-K218 VanDerWaalsContact O-CG 3.22Å; D214-K218 WeakPolarHBondContact O-CG 3.49Å; D214-K218 PolarHBondContact O-N 3.29Å |
| 215 | H | 95.8 | Very high | 95.7 | Very high | 51 Ų | 51 | 69.7 Ų | 69.7 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 173.6 | -172 | -85.2 | 0 | 0 | 0 | 111.3 | H180 H211 V212 L213 L217 K218 E219 | H180-H215 AromaticContact CD2-ND1 3.65Å; H180-H215 AromaticContact CE1-ND1 3.77Å; H180-H215 WeakPolarHBondContact NE2-CB 3.49Å; H180-H215 AromaticContact NE2-CE1 3.86Å; H180-H215 AromaticContact NE2-CG 3.27Å; H180-H215 VanDerWaalsContact NE2-CG 3.27Å; H180-H215 AromaticContact NE2-ND1 3.1Å; H180-H215 PolarHBondContact NE2-ND1 3.2Å; H211-H215 WeakPolarHBondContact O-CB 3.41Å; H211-H215 PolarHBondContact O-N 3.49Å; V212-H215 WeakPolarHBondContact O-CB 3.38Å; V212-H215 PolarHBondContact O-N 2.9Å; L213-H215 VanDerWaalsContact C-N 3.28Å; L213-H215 PolarHBondContact O-N 3.47Å; H215-L217 VanDerWaalsContact C-N 3.29Å; H215-L217 PolarHBondContact O-N 3.05Å; H215-K218 PolarHBondContact O-N 3Å; H215-E219 WeakPolarHBondContact O-CG 3.34Å; H215-E219 PolarHBondContact O-N 3.49Å |
| 216 | L | 95.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 176.2 | -66.1 | 178 | 0 | 0 | 0 | 112.6 | L176 V183 V212 L213 G220 L221 A222 | L176-L216 HydrophobicContact CD2-CD2 4.26Å; V183-L216 HydrophobicContact CG1-CD1 4.08Å; V212-L216 HydrophobicContact CG1-CD1 4.41Å; V212-L216 WeakPolarHBondContact O-CG 3.2Å; V212-L216 PolarHBondContact O-N 3.08Å; L213-L216 PolarHBondContact O-N 2.96Å; L216-G220 PolarHBondContact O-N 3.46Å; L216-L221 HydrophobicContact CB-CB 4.49Å; L216-L221 HydrophobicContact CD2-CB 4.19Å; L216-L221 HydrophobicContact CD2-CD1 3.9Å; L216-L221 PolarHBondContact O-N 2.9Å; L216-A222 HydrophobicContact CB-CB 3.9Å; L216-A222 PolarHBondContact O-N 2.82Å |
| 217 | L | 95.3 | Very high | 95.4 | Very high | 54 Ų | 54 | 67.7 Ų | 67.7 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 173.3 | -70.5 | 179.9 | 0 | 0 | 0 | 111.9 | L213 D214 H215 E219 G220 A222 L224 Y234 | L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.17Å; D214-L217 PolarHBondContact O-N 2.79Å; H215-L217 VanDerWaalsContact C-N 3.29Å; H215-L217 PolarHBondContact O-N 3.05Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-E219 PolarHBondContact O-N 3.37Å; L217-G220 PolarHBondContact O-N 3.27Å; L217-A222 HydrophobicContact CD2-CB 4.11Å; L217-A222 VanDerWaalsContact CD2-O 3.28Å; L217-A222 WeakPolarHBondContact CD2-O 3.41Å; L217-L224 HydrophobicContact CD1-CB 4.49Å; L217-L224 HydrophobicContact CD2-CB 4.2Å; L217-Y234 HydrophobicContact CD1-CD1 4.04Å; L217-Y234 HydrophobicContact CD1-CE1 3.66Å; L217-Y234 HydrophobicContact CD2-CD1 4.13Å; L217-Y234 HydrophobicContact CG-CD1 4.05Å; L217-Y234 HydrophobicContact CG-CE1 4.15Å |
| 218 | K | 94.1 | Very high | 95.1 | Very high | 166 Ų | 166 | 61.9 Ų | 61.9 | 72% | 0.722 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 179.9 | -75.7 | 168.1 | -174 | 171.4 | 0 | 112.6 | D214 H215 G220 | D214-K218 WeakPolarHBondContact O-CB 3.42Å; D214-K218 VanDerWaalsContact O-CG 3.22Å; D214-K218 WeakPolarHBondContact O-CG 3.49Å; D214-K218 PolarHBondContact O-N 3.29Å; H215-K218 PolarHBondContact O-N 3Å; K218-G220 PolarHBondContact O-N 3.49Å |
| 219 | E | 91.9 | Very high | 94.6 | Very high | 79 Ų | 79 | 62.4 Ų | 62.4 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -3.4 | 176.2 | -64.4 | -57.9 | 133.6 | 0 | 0 | 112.9 | H215 L217 L221 | H215-E219 WeakPolarHBondContact O-CG 3.34Å; H215-E219 PolarHBondContact O-N 3.49Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-E219 PolarHBondContact O-N 3.37Å; E219-L221 HydrophobicContact CB-CD1 3.99Å; E219-L221 HydrophobicContact CB-CG 3.85Å; E219-L221 PolarHBondContact O-N 3.24Å |
| 220 | G | 91.9 | Very high | 94.2 | Very high | 31 Ų | 31 | 66.6 Ų | 66.6 | 32% | 0.32 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 18.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | G116 L216 L217 K218 | G116-G220 WeakPolarHBondContact CA-O 3.46Å; L216-G220 PolarHBondContact O-N 3.46Å; L217-G220 PolarHBondContact O-N 3.27Å; K218-G220 PolarHBondContact O-N 3.49Å |
| 221 | L | 93.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -85.4 | -17.7 | 179.7 | -59.9 | 179.8 | 0 | 0 | 0 | 112.7 | G116 L118 L176 L216 E219 P237 | G116-L221 WeakPolarHBondContact O-CD2 3.31Å; L118-L221 HydrophobicContact CB-CD2 4.4Å; L118-L221 HydrophobicContact CD1-CB 4.44Å; L118-L221 HydrophobicContact CD1-CD1 3.97Å; L118-L221 HydrophobicContact CD1-CD2 3.8Å; L118-L221 HydrophobicContact CD1-CG 4.29Å; L118-L221 HydrophobicContact CG-CD2 3.73Å; L176-L221 HydrophobicContact CD1-CD1 4.22Å; L176-L221 HydrophobicContact CD2-CD1 3.87Å; L216-L221 HydrophobicContact CB-CB 4.49Å; L216-L221 HydrophobicContact CD2-CB 4.19Å; L216-L221 HydrophobicContact CD2-CD1 3.9Å; L216-L221 PolarHBondContact O-N 2.9Å; E219-L221 HydrophobicContact CB-CD1 3.99Å; E219-L221 HydrophobicContact CB-CG 3.85Å; E219-L221 PolarHBondContact O-N 3.24Å; L221-P237 WeakPolarHBondContact O-CD 3.39Å |
| 222 | A | 95 | Very high | 94 | Very high | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | trans | -133.5 | 153.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L216 L217 W235 L236 | L216-A222 HydrophobicContact CB-CB 3.9Å; L216-A222 PolarHBondContact O-N 2.82Å; L217-A222 HydrophobicContact CD2-CB 4.11Å; L217-A222 VanDerWaalsContact CD2-O 3.28Å; L217-A222 WeakPolarHBondContact CD2-O 3.41Å; A222-W235 CarbonylContact C-O 3.38Å; A222-W235 WeakPolarHBondContact CA-O 3.4Å; A222-L236 HydrophobicContact CB-CG 4.46Å | ||
| 223 | W | 95 | Very high | 94 | Very high | 142 Ų | 142 | 65.5 Ų | 65.5 | 54% | 0.538 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.8 | 171 | -63.5 | -6 | 0 | 0 | 0 | 109.8 | Y234 W235 P237 | W223-Y234 CarbonylContact O-C 3.59Å; W223-Y234 WeakPolarHBondContact O-CA 3.48Å; W223-W235 PolarHBondContact N-O 3.08Å; W223-W235 PolarHBondContact O-N 2.84Å; W223-P237 HydrophobicContact CD2-CG 3.98Å; W223-P237 HydrophobicContact CG-CG 4.25Å; W223-P237 HydrophobicContact CZ2-CG 4.13Å |
| 224 | L | 96.5 | Very high | 94 | Very high | 91 Ų | 91 | 66.6 Ų | 66.6 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119 | 177.4 | -179.5 | 64.1 | 0 | 0 | 0 | 110.5 | L217 P232 Y234 | L217-L224 HydrophobicContact CD1-CB 4.49Å; L217-L224 HydrophobicContact CD2-CB 4.2Å; L224-P232 HydrophobicContact CD1-CB 3.8Å; L224-Y234 HydrophobicContact CD1-CD1 4.14Å; L224-Y234 HydrophobicContact CD1-CD2 4.37Å; L224-Y234 HydrophobicContact CD1-CE1 3.84Å; L224-Y234 HydrophobicContact CD1-CE2 4.03Å; L224-Y234 HydrophobicContact CD1-CG 4.41Å |
| 225 | D | 96 | Very high | 93.9 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 106.9 | 165.6 | 178.5 | 11 | 0 | 0 | 0 | 109.6 | Q227 A228 P232 Q233 | D225-Q227 WeakPolarHBondContact OD1-CA 3.46Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.22Å; D225-Q227 PolarHBondContact OD1-N 2.8Å; D225-A228 PolarHBondContact OD1-N 2.78Å; D225-P232 CarbonylContact O-C 3.43Å; D225-P232 VanDerWaalsContact O-CA 3.32Å; D225-P232 WeakPolarHBondContact O-CA 3.37Å; D225-Q233 HydrophobicContact CB-CB 4.38Å; D225-Q233 PolarHBondContact N-O 2.96Å; D225-Q233 PolarHBondContact O-N 3.45Å |
| 226 | S | 94.3 | Very high | 93.8 | Very high | 91 Ų | 91 | 64.5 Ų | 64.5 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -90.9 | -2.6 | 176.8 | 54 | 0 | 0 | 0 | 0 | 113.5 | ||
| 227 | Q | 93.7 | Very high | 93.6 | Very high | 179 Ų | 179 | 65 Ų | 65 | 84% | 0.836 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -99.3 | -8.7 | -177 | -58.3 | 176.9 | 37.7 | 0 | 0 | 112.2 | D225 | D225-Q227 WeakPolarHBondContact OD1-CA 3.46Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.22Å; D225-Q227 PolarHBondContact OD1-N 2.8Å |
| 228 | A | 90.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -54.2 | 141.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D225 G230 Q233 | D225-A228 PolarHBondContact OD1-N 2.78Å; A228-G230 PolarHBondContact O-N 3.13Å; A228-Q233 HydrophobicContact CB-CB 4.12Å; A228-Q233 VanDerWaalsContact CB-CD 3.43Å; A228-Q233 HydrophobicContact CB-CG 3.58Å |
| 229 | S | 86.5 | Confident | 93.1 | Very high | 118 Ų | 118 | 55.6 Ų | 55.6 | 83% | 0.825 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -69.2 | 121.6 | 178.9 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 230 | G | 88.9 | Confident | 92.6 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 91% | 0.907 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 105.4 | -67.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A228 | A228-G230 PolarHBondContact O-N 3.13Š|
| 231 | E | 93.9 | Very high | 91 | Very high | 55 Ų | 55 | 58.5 Ų | 58.5 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -143.2 | 158.1 | 177.8 | 71.3 | -179.2 | 148.7 | 0 | 0 | 111.9 | S194 S196 Q233 | S194-E231 WeakPolarHBondContact CB-OE1 3.32Å; S194-E231 VanDerWaalsContact OG-CD 3.29Å; S194-E231 PolarHBondContact OG-OE1 3.47Å; S196-E231 WeakPolarHBondContact CB-OE1 3.38Å; S196-E231 WeakPolarHBondContact CB-OE2 3.44Å; S196-E231 PolarHBondContact N-OE2 3.08Å; S196-E231 VanDerWaalsContact N-OE2 3.11Å; S196-E231 VanDerWaalsContact OG-CD 3.28Å; S196-E231 PolarHBondContact OG-OE1 3.43Å; S196-E231 PolarHBondContact OG-OE2 2.9Å; E231-Q233 PolarHBondContact O-N 3.31Å |
| 232 | P | 95.6 | Very high | 89.1 | Confident | 62 Ų | 62 | 66 Ų | 66 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | trans | -58.5 | 135.7 | 176.2 | -22.5 | 32.9 | 0 | 0 | 0 | 112.3 | L224 D225 | L224-P232 HydrophobicContact CD1-CB 3.8Å; D225-P232 CarbonylContact O-C 3.43Å; D225-P232 VanDerWaalsContact O-CA 3.32Å; D225-P232 WeakPolarHBondContact O-CA 3.37Å | ||
| 233 | Q | 96.3 | Very high | 86.9 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141.9 | 179.1 | -68.4 | 178.1 | -5.9 | 0 | 0 | 110.5 | Y192 D225 A228 E231 | Y192-Q233 HydrophobicContact CD2-CB 3.91Å; Y192-Q233 HydrophobicContact CD2-CG 3.76Å; Y192-Q233 HydrophobicContact CE2-CB 4.48Å; Y192-Q233 VanDerWaalsContact CE2-CD 3.41Å; Y192-Q233 HydrophobicContact CE2-CG 3.83Å; Y192-Q233 HydrophobicContact CG-CB 4.41Å; D225-Q233 HydrophobicContact CB-CB 4.38Å; D225-Q233 PolarHBondContact N-O 2.96Å; D225-Q233 PolarHBondContact O-N 3.45Å; A228-Q233 HydrophobicContact CB-CB 4.12Å; A228-Q233 VanDerWaalsContact CB-CD 3.43Å; A228-Q233 HydrophobicContact CB-CG 3.58Å; E231-Q233 PolarHBondContact O-N 3.31Å |
| 234 | Y | 96.9 | Very high | 84.6 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 9% | 0.094 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 103.3 | 178.9 | -62.8 | -106.5 | 0 | 0 | 0 | 107.7 | Y192 V193 V195 L213 L217 W223 L224 | Y192-Y234 CarbonylContact C-O 3.57Å; Y192-Y234 WeakPolarHBondContact CA-O 3.41Å; Y192-Y234 WeakPolarHBondContact CB-O 3.28Å; V193-Y234 PolarHBondContact N-O 3.19Å; V193-Y234 WeakPolarHBondContact O-CB 3.17Å; V193-Y234 PolarHBondContact O-N 3.35Å; V195-Y234 HydrophobicContact CG2-CE2 4.23Å; L213-Y234 HydrophobicContact CB-CD1 3.84Å; L213-Y234 HydrophobicContact CB-CE1 3.68Å; L213-Y234 HydrophobicContact CB-CG 4.32Å; L213-Y234 HydrophobicContact CD1-CD1 4.43Å; L213-Y234 HydrophobicContact CD1-CD2 3.77Å; L213-Y234 HydrophobicContact CD1-CE1 4.28Å; L213-Y234 HydrophobicContact CD1-CE2 3.65Å; L213-Y234 HydrophobicContact CD1-CG 4.18Å; L213-Y234 HydrophobicContact CD2-CD1 4.05Å; L213-Y234 HydrophobicContact CD2-CD2 4.08Å; L213-Y234 HydrophobicContact CD2-CG 3.73Å; L213-Y234 HydrophobicContact CG-CD1 4.32Å; L213-Y234 HydrophobicContact CG-CD2 4.38Å; L213-Y234 HydrophobicContact CG-CE1 4.41Å; L213-Y234 HydrophobicContact CG-CG 4.29Å; L217-Y234 HydrophobicContact CD1-CD1 4.04Å; L217-Y234 HydrophobicContact CD1-CE1 3.66Å; L217-Y234 HydrophobicContact CD2-CD1 4.13Å; L217-Y234 HydrophobicContact CG-CD1 4.05Å; L217-Y234 HydrophobicContact CG-CE1 4.15Å; W223-Y234 CarbonylContact O-C 3.59Å; W223-Y234 WeakPolarHBondContact O-CA 3.48Å; L224-Y234 HydrophobicContact CD1-CD1 4.14Å; L224-Y234 HydrophobicContact CD1-CD2 4.37Å; L224-Y234 HydrophobicContact CD1-CE1 3.84Å; L224-Y234 HydrophobicContact CD1-CE2 4.03Å; L224-Y234 HydrophobicContact CD1-CG 4.41Å |
| 235 | W | 95.2 | Very high | 82.1 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 27% | 0.265 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.7 | -174.8 | -72 | 84.7 | 0 | 0 | 0 | 110.8 | Y192 A222 W223 P237 F240 | Y192-W235 HydrophobicContact CD1-CD2 4.12Å; Y192-W235 AromaticContact CD1-CE2 3.87Å; Y192-W235 AromaticContact CD1-CE3 3.97Å; Y192-W235 HydrophobicContact CD1-CE3 3.97Å; Y192-W235 AromaticContact CD1-CH2 3.36Å; Y192-W235 HydrophobicContact CD1-CH2 3.36Å; Y192-W235 AromaticContact CD1-CZ2 3.5Å; Y192-W235 HydrophobicContact CD1-CZ2 3.5Å; Y192-W235 AromaticContact CD1-CZ3 3.6Å; Y192-W235 HydrophobicContact CD1-CZ3 3.6Å; Y192-W235 AromaticContact CE1-CH2 3.78Å; Y192-W235 HydrophobicContact CE1-CH2 3.78Å; Y192-W235 AromaticContact CE1-CZ2 3.93Å; Y192-W235 HydrophobicContact CE1-CZ2 3.93Å; Y192-W235 HydrophobicContact CE1-CZ3 4.39Å; Y192-W235 HydrophobicContact CG-CD2 4.15Å; Y192-W235 AromaticContact CG-CE2 3.99Å; Y192-W235 HydrophobicContact CG-CE3 4.34Å; Y192-W235 HydrophobicContact CG-CH2 4.28Å; Y192-W235 HydrophobicContact CG-CZ2 4.07Å; Y192-W235 HydrophobicContact CG-CZ3 4.41Å; A222-W235 CarbonylContact C-O 3.38Å; A222-W235 WeakPolarHBondContact CA-O 3.4Å; W223-W235 PolarHBondContact N-O 3.08Å; W223-W235 PolarHBondContact O-N 2.84Å; W235-P237 WeakPolarHBondContact O-CD 3.35Å; W235-F240 HydrophobicContact CE3-CD2 4.33Å; W235-F240 HydrophobicContact CZ3-CD2 4.1Å; W235-F240 HydrophobicContact CZ3-CE2 4.11Å |
| 236 | L | 93.6 | Very high | 79.7 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.01 | 42% | 0.415 | C | S | . | . | trans | -105.2 | 105.5 | 177.9 | -68.8 | 93.9 | 0 | 0 | 0 | 109.3 | L184 A187 G191 V193 A222 A238 L239 | L184-L236 HydrophobicContact CD2-CD2 3.13Å; A187-L236 HydrophobicContact CB-CD1 3.6Å; G191-L236 PolarHBondContact O-N 3.37Å; V193-L236 HydrophobicContact CG1-CD1 3.92Å; A222-L236 HydrophobicContact CB-CG 4.46Å; L236-A238 PolarHBondContact O-N 3.04Å; L236-A238 VanDerWaalsContact O-N 3.1Å; L236-L239 HydrophobicContact CB-CB 4.45Å; L236-L239 HydrophobicContact CB-CD1 4.05Å; L236-L239 HydrophobicContact CB-CG 4.26Å; L236-L239 HydrophobicContact CD2-CD1 4.34Å; L236-L239 PolarHBondContact O-N 2.89Å | ||
| 237 | P | 92.1 | Very high | 77.7 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.071 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -60 | -29.5 | -175.3 | -21.5 | 31.7 | 0 | 0 | 0 | 112.8 | R114 N115 L221 W223 W235 L239 F240 L243 | R114-P237 WeakPolarHBondContact O-CB 3.46Å; N115-P237 HydrophobicContact CB-CB 4.38Å; L221-P237 WeakPolarHBondContact O-CD 3.39Å; W223-P237 HydrophobicContact CD2-CG 3.98Å; W223-P237 HydrophobicContact CG-CG 4.25Å; W223-P237 HydrophobicContact CZ2-CG 4.13Å; W235-P237 WeakPolarHBondContact O-CD 3.35Å; P237-L239 PolarHBondContact O-N 2.91Å; P237-F240 PolarHBondContact O-N 3.3Å; P237-F240 VanDerWaalsContact O-N 3.1Å; P237-L243 HydrophobicContact CB-CD1 4.44Å |
| 238 | A | 90.6 | Very high | 75.7 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 2% | 0.017 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -59.5 | -25.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N115 L118 T120 L168 L236 | N115-A238 HydrophobicContact CB-CB 4.42Å; L118-A238 HydrophobicContact CB-CB 3.54Å; L118-A238 WeakPolarHBondContact O-CB 3.46Å; T120-A238 WeakPolarHBondContact CG2-O 3.44Å; L168-A238 HydrophobicContact CD2-CB 4.43Å; L236-A238 PolarHBondContact O-N 3.04Å; L236-A238 VanDerWaalsContact O-N 3.1Å |
| 239 | L | 88.3 | Confident | 74 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -98.8 | -3.2 | -179.2 | -63 | 175.8 | 0 | 0 | 0 | 112.2 | T120 L168 A187 L236 P237 | T120-L239 HydrophobicContact CG2-CD2 4.19Å; L168-L239 HydrophobicContact CD1-CD2 4.25Å; L168-L239 HydrophobicContact CD2-CD2 3.86Å; L168-L239 HydrophobicContact CG-CD2 4.38Å; A187-L239 HydrophobicContact CB-CD1 3.77Å; L236-L239 HydrophobicContact CB-CB 4.45Å; L236-L239 HydrophobicContact CB-CD1 4.05Å; L236-L239 HydrophobicContact CB-CG 4.26Å; L236-L239 HydrophobicContact CD2-CD1 4.34Å; L236-L239 PolarHBondContact O-N 2.89Å; P237-L239 PolarHBondContact O-N 2.91Å |
| 240 | F | 79.8 | Confident | 72.3 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 32% | 0.316 | 39% | 0.385 | S | S | . | . | trans | -97.1 | 97.2 | -176.2 | -165.7 | -90.9 | 0 | 0 | 0 | 110.5 | W235 P237 E242 L243 | W235-F240 HydrophobicContact CE3-CD2 4.33Å; W235-F240 HydrophobicContact CZ3-CD2 4.1Å; W235-F240 HydrophobicContact CZ3-CE2 4.11Å; P237-F240 PolarHBondContact O-N 3.3Å; P237-F240 VanDerWaalsContact O-N 3.1Å; F240-E242 VanDerWaalsContact C-N 3.26Å; F240-E242 HydrophobicContact CD1-CB 4.22Å; F240-E242 HydrophobicContact CE1-CB 3.59Å; F240-E242 HydrophobicContact CZ-CB 4.02Å; F240-E242 PolarHBondContact O-N 3.28Å; F240-L243 HydrophobicContact CD1-CB 4.18Å; F240-L243 HydrophobicContact CD1-CD1 3.9Å; F240-L243 HydrophobicContact CD1-CG 3.56Å; F240-L243 HydrophobicContact CE1-CG 3.95Å | ||
| 241 | S | 59.7 | Low | 70.5 | Confident | 99 Ų | 99 | 71.9 Ų | 71.9 | 69% | 0.692 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -20.4 | -174.2 | -36.2 | 0 | 0 | 0 | 0 | 114.1 | L243 | S241-L243 VanDerWaalsContact C-N 3.34Å; S241-L243 PolarHBondContact O-N 2.93Å |
| 242 | E | 53.3 | Low | 68.3 | Low | 162 Ų | 162 | 73.4 Ų | 73.4 | 76% | 0.757 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -0.2 | -173.4 | -63.5 | -167.4 | 171.1 | 0 | 0 | 114.4 | F240 T244 | F240-E242 VanDerWaalsContact C-N 3.26Å; F240-E242 HydrophobicContact CD1-CB 4.22Å; F240-E242 HydrophobicContact CE1-CB 3.59Å; F240-E242 HydrophobicContact CZ-CB 4.02Å; F240-E242 PolarHBondContact O-N 3.28Å; E242-T244 PolarHBondContact O-N 2.84Å |
| 243 | L | 49 | Very low | 66.3 | Low | 73 Ų | 73 | 72.8 Ų | 72.8 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | trans | -77.9 | 40.6 | 169 | -76.5 | 166.9 | 0 | 0 | 0 | 112.1 | P237 F240 S241 S245 | P237-L243 HydrophobicContact CB-CD1 4.44Å; F240-L243 HydrophobicContact CD1-CB 4.18Å; F240-L243 HydrophobicContact CD1-CD1 3.9Å; F240-L243 HydrophobicContact CD1-CG 3.56Å; F240-L243 HydrophobicContact CE1-CG 3.95Å; S241-L243 VanDerWaalsContact C-N 3.34Å; S241-L243 PolarHBondContact O-N 2.93Å; L243-S245 PolarHBondContact O-N 3.24Å | ||
| 244 | T | 45.7 | Very low | 64.2 | Low | 110 Ų | 110 | 77.8 Ų | 77.8 | 68% | 0.675 | 41% | 0.409 | S | S | * | . | trans | -69.3 | 63.9 | 155.9 | 49.9 | 0 | 0 | 0 | 0 | 109 | E242 | E242-T244 PolarHBondContact O-N 2.84Š| ||
| 245 | S | 45.1 | Very low | 61.9 | Low | 46 Ų | 46 | 84.3 Ų | 84.3 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | trans | -64.1 | 142.3 | 159.2 | 101.6 | 0 | 0 | 0 | 0 | 106.8 | R114 L243 D247 | R114-S245 VanDerWaalsContact CZ-OG 3.28Å; R114-S245 PolarHBondContact NH1-OG 2.83Å; R114-S245 PolarHBondContact NH2-OG 2.93Å; L243-S245 PolarHBondContact O-N 3.24Å; S245-D247 PolarHBondContact O-N 2.81Å | ||
| 246 | R | 45.6 | Very low | 59.7 | Low | 224 Ų | 224 | 86.8 Ų | 86.8 | 85% | 0.845 | 46% | 0.457 | S | S | * | . | trans | -46.7 | 132.1 | 159.1 | -82 | 178.1 | 167 | 173.8 | -4.6 | 107.7 | V248 | R246-V248 PolarHBondContact O-N 3.02Š| ||
| 247 | D | 52 | Low | 57.2 | Low | 82 Ų | 82 | 91.6 Ų | 91.6 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | trans | -57.3 | 107.2 | 169.4 | -59.9 | -54.7 | 0 | 0 | 0 | 105.1 | R127 K130 S245 T249 | R127-D247 IonicContact NH1-OD1 2.76Å; R127-D247 PolarHBondContact NH1-OD1 3.25Å; K130-D247 IonicContact NZ-OD2 2.83Å; K130-D247 PolarHBondContact NZ-OD2 2.74Å; S245-D247 PolarHBondContact O-N 2.81Å; D247-T249 PolarHBondContact O-N 3.18Å | ||
| 248 | V | 52.1 | Low | 55.1 | Low | 62 Ų | 62 | 100.5 Ų | 100.5 | 38% | 0.376 | 55% | 0.545 | S | S | . | . | trans | -67.1 | 116.7 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 104.9 | R246 E252 A253 I256 | R246-V248 PolarHBondContact O-N 3.02Å; V248-E252 WeakPolarHBondContact CA-OE2 3.38Å; V248-E252 HydrophobicContact CG1-CB 3.47Å; V248-E252 VanDerWaalsContact CG1-CB 3.47Å; V248-A253 HydrophobicContact CG1-CB 4.18Å; V248-I256 HydrophobicContact CG1-CD1 3.92Å | ||
| 249 | T | 53.1 | Low | 53.3 | Low | 54 Ų | 54 | 105.4 Ų | 105.4 | 33% | 0.331 | 57% | 0.571 | S | S | . | * | trans | -63.7 | 154.8 | 179.4 | 62.9 | 0 | 0 | 0 | 0 | 109.1 | D247 E251 E252 A253 | D247-T249 PolarHBondContact O-N 3.18Å; T249-E251 PolarHBondContact O-N 3.33Å; T249-E252 PolarHBondContact N-OE2 3.1Å; T249-E252 VanDerWaalsContact N-OE2 3.1Å; T249-E252 PolarHBondContact O-N 3.39Å; T249-E252 WeakPolarHBondContact OG1-CG 3.34Å; T249-E252 PolarHBondContact OG1-N 3.47Å; T249-A253 PolarHBondContact O-N 3.01Å | ||
| 250 | P | 51.3 | Low | 51.5 | Low | 106 Ų | 106 | 109.9 Ų | 109.9 | 69% | 0.688 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -52.7 | -26.6 | 174.6 | -26 | 34.3 | 0 | 0 | 0 | 113.2 | N254 | P250-N254 PolarHBondContact O-N 2.94Å |
| 251 | E | 51.1 | Low | 49.9 | Very low | 145 Ų | 145 | 112.1 Ų | 112.1 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.5 | -38.1 | 176.9 | -64.8 | 154.1 | 169.4 | 0 | 0 | 112.5 | T249 | T249-E251 PolarHBondContact O-N 3.33Å |
| 252 | E | 48.9 | Very low | 49.4 | Very low | 87 Ų | 87 | 112.8 Ų | 112.8 | 41% | 0.407 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -74.4 | -34.4 | 175.7 | -70.6 | 171.7 | 160.8 | 0 | 0 | 111.5 | V248 T249 N254 Q255 I256 | V248-E252 WeakPolarHBondContact CA-OE2 3.38Å; V248-E252 HydrophobicContact CG1-CB 3.47Å; V248-E252 VanDerWaalsContact CG1-CB 3.47Å; T249-E252 PolarHBondContact N-OE2 3.1Å; T249-E252 VanDerWaalsContact N-OE2 3.1Å; T249-E252 PolarHBondContact O-N 3.39Å; T249-E252 WeakPolarHBondContact OG1-CG 3.34Å; T249-E252 PolarHBondContact OG1-N 3.47Å; E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 2.99Å; E252-Q255 PolarHBondContact O-N 3.34Å; E252-I256 WeakPolarHBondContact O-CD1 3.37Å; E252-I256 VanDerWaalsContact O-CG1 3.28Å; E252-I256 WeakPolarHBondContact O-CG1 3.28Å; E252-I256 PolarHBondContact O-N 3.5Å |
| 253 | A | 52.9 | Low | 49.1 | Very low | 49 Ų | 49 | 109.8 Ų | 109.8 | 41% | 0.405 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.4 | -35.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V248 T249 Q255 I256 | V248-A253 HydrophobicContact CG1-CB 4.18Å; T249-A253 PolarHBondContact O-N 3.01Å; A253-Q255 VanDerWaalsContact C-N 3.25Å; A253-Q255 PolarHBondContact O-N 3.04Å; A253-I256 PolarHBondContact O-N 3.38Å |
| 254 | N | 51.2 | Low | 49.1 | Very low | 134 Ų | 134 | 112.2 Ų | 112.2 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.1 | -12.8 | 175.9 | -77.5 | -20.6 | 0 | 0 | 0 | 114 | P250 E252 | P250-N254 PolarHBondContact O-N 2.94Å; E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 2.99Å |
| 255 | Q | 50 | Low | 49.4 | Very low | 162 Ų | 162 | 112.4 Ų | 112.4 | 76% | 0.757 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -98.2 | -10.8 | 177.9 | -66.3 | 179.5 | 20.2 | 0 | 0 | 113.1 | E252 A253 | E252-Q255 PolarHBondContact O-N 3.34Å; A253-Q255 VanDerWaalsContact C-N 3.25Å; A253-Q255 PolarHBondContact O-N 3.04Å |
| 256 | I | 48.8 | Very low | 49.7 | Very low | 121 Ų | 121 | 117.5 Ų | 117.5 | 62% | 0.621 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -95.7 | -13.5 | -174 | -65.3 | 163 | 0 | 0 | 0 | 112.2 | V248 E252 A253 | V248-I256 HydrophobicContact CG1-CD1 3.92Å; E252-I256 WeakPolarHBondContact O-CD1 3.37Å; E252-I256 VanDerWaalsContact O-CG1 3.28Å; E252-I256 WeakPolarHBondContact O-CG1 3.28Å; E252-I256 PolarHBondContact O-N 3.5Å; A253-I256 PolarHBondContact O-N 3.38Å |
| 257 | T | 40.9 | Very low | 50 | Low | 104 Ų | 104 | 108.6 Ų | 108.6 | 64% | 0.638 | 61% | 0.611 | S | S | * | * | trans | -80.6 | 125.3 | 168.5 | 30.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 258 | P | 48.2 | Very low | 49.9 | Very low | 197 Ų | 197 | 111 Ų | 111 | 100% | 1.279 | 63% | 0.627 | S | S | * | * | trans | -67.3 | 0 | 170.6 | 29 | -32.9 | 0 | 0 | 0 | 112.6 |
Retrieved 258 of 258 residues in 1928.8 ms
(Link to these results)