| 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 | 38.7 | Very low | 39.2 | Very low | 248 Ų | 248 | 140.9 Ų | 140.9 | 100% | 1.222 | 82% | 0.819 | S | S | * | * | 0 | 103.5 | 0 | -77.7 | 177.9 | 156.1 | 0 | 0 | 108.4 | S3 | M1-S3 PolarHBondContact O-N 3.11Š| |||
| 2 | G | 36.9 | Very low | 39.3 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -77.3 | 114.1 | -172 | 0 | 0 | 0 | 0 | 0 | 111.9 | R4 | G2-R4 PolarHBondContact O-N 2.91Å; G2-R4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | S | 38.9 | Very low | 39.1 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -63.5 | 104.6 | 177.3 | -162.6 | 0 | 0 | 0 | 0 | 110.2 | M1 R5 | M1-S3 PolarHBondContact O-N 3.11Å; S3-R5 PolarHBondContact O-N 2.72Å | ||
| 4 | R | 43 | Very low | 38.9 | Very low | 242 Ų | 242 | 131.6 Ų | 131.6 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -69 | 97.7 | 166.1 | -78.1 | -173.6 | -177.5 | -167.1 | 1 | 107.4 | G2 S6 | G2-R4 PolarHBondContact O-N 2.91Å; G2-R4 VanDerWaalsContact O-N 3.11Å; R4-S6 PolarHBondContact O-N 2.61Å | ||
| 5 | R | 37.1 | Very low | 38.8 | Very low | 224 Ų | 224 | 126.5 Ų | 126.5 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -63.6 | 104 | 164.4 | -66.2 | -175.7 | -167 | -172 | 3.4 | 106.9 | S3 L7 | S3-R5 PolarHBondContact O-N 2.72Å; R5-L7 PolarHBondContact O-N 3.31Å; R5-L7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | S | 38.8 | Very low | 38.7 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -52.5 | 113.2 | 162.5 | -175.1 | 0 | 0 | 0 | 0 | 106.9 | R4 G8 | R4-S6 PolarHBondContact O-N 2.61Å; S6-G8 VanDerWaalsContact C-N 3.26Å; S6-G8 PolarHBondContact O-N 2.87Å | ||
| 7 | L | 38.6 | Very low | 38.9 | Very low | 172 Ų | 172 | 120.8 Ų | 120.8 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | trans | -64.5 | 97.3 | 168.4 | -75.5 | 162.3 | 0 | 0 | 0 | 105.5 | R5 A9 | R5-L7 PolarHBondContact O-N 3.31Å; R5-L7 VanDerWaalsContact O-N 3.1Å; L7-A9 PolarHBondContact O-N 3.43Å | ||
| 8 | G | 32.6 | Very low | 38.6 | Very low | 64 Ų | 64 | 118.8 Ų | 118.8 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 123.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S6 | S6-G8 VanDerWaalsContact C-N 3.26Å; S6-G8 PolarHBondContact O-N 2.87Å |
| 9 | A | 41.9 | Very low | 38.6 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 138.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L7 | L7-A9 PolarHBondContact O-N 3.43Š|
| 10 | P | 41.9 | Very low | 38.8 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 60% | 0.597 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 136.3 | 174.8 | 26.6 | -32.3 | 0 | 0 | 0 | 107.5 | D12 | P10-D12 PolarHBondContact O-N 3.46Š|
| 11 | P | 43 | Very low | 38.6 | Very low | 119 Ų | 119 | 116.2 Ų | 116.2 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 133.5 | -178.9 | 25 | -32.6 | 0 | 0 | 0 | 107.5 | G13 | P11-G13 PolarHBondContact O-N 3.15Š|
| 12 | D | 40.7 | Very low | 38.9 | Very low | 154 Ų | 154 | 114.9 Ų | 114.9 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | -32.4 | 105.1 | 176.7 | -81.7 | -68.8 | 0 | 0 | 0 | 109.2 | P10 V14 | P10-D12 PolarHBondContact O-N 3.46Å; D12-V14 WeakPolarHBondContact O-CG2 3.46Å; D12-V14 PolarHBondContact O-N 2.98Å | ||
| 13 | G | 36.4 | Very low | 39.7 | Very low | 31 Ų | 31 | 121.4 Ų | 121.4 | 32% | 0.32 | 70% | 0.698 | S | S | . | * | trans | -66.6 | 87.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | P11 C15 Q97 | P11-G13 PolarHBondContact O-N 3.15Å; G13-C15 PolarHBondContact O-N 3.45Å; G13-Q97 PolarHBondContact O-NE2 3.4Å | ||
| 14 | V | 36.4 | Very low | 40.6 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 65% | 0.648 | 70% | 0.703 | S | S | * | * | trans | -57.7 | 110.9 | 164.4 | -165.8 | 0 | 0 | 0 | 0 | 103.4 | D12 S16 | D12-V14 WeakPolarHBondContact O-CG2 3.46Å; D12-V14 PolarHBondContact O-N 2.98Å; V14-S16 WeakPolarHBondContact CB-OG 3.49Å; V14-S16 WeakPolarHBondContact CG1-OG 3.38Å; V14-S16 PolarHBondContact O-N 3.47Å | ||
| 15 | C | 37.1 | Very low | 41.7 | Very low | 56 Ų | 56 | 119 Ų | 119 | 38% | 0.378 | 68% | 0.676 | S | S | . | * | trans | -59.7 | 77.7 | 149.2 | -128 | 0 | 0 | 0 | 0 | 102.8 | G13 S17 Q97 C101 | G13-C15 PolarHBondContact O-N 3.45Å; C15-S17 PolarHBondContact O-N 3.49Å; C15-Q97 PolarHBondContact SG-OE1 2.88Å; C15-Q97 VanDerWaalsContact SG-OE1 3.38Å; C15-C101 WeakPolarHBondContact CB-SG 3.42Å; C15-C101 WeakPolarHBondContact SG-CB 3.1Å; C15-C101 CovalentContact SG-SG 2.09Å; C15-C101 PolarHBondContact SG-SG 2.9Å | ||
| 16 | S | 36.7 | Very low | 43.4 | Very low | 55 Ų | 55 | 110.8 Ų | 110.8 | 39% | 0.385 | 65% | 0.654 | S | S | . | * | trans | -72.5 | 82.3 | -177.6 | -101.6 | 0 | 0 | 0 | 0 | 104.5 | V14 A18 V19 | V14-S16 WeakPolarHBondContact CB-OG 3.49Å; V14-S16 WeakPolarHBondContact CG1-OG 3.38Å; V14-S16 PolarHBondContact O-N 3.47Å; S16-A18 PolarHBondContact O-N 3.01Å; S16-V19 PolarHBondContact O-N 3.21Å | ||
| 17 | S | 42.2 | Very low | 45 | Very low | 101 Ų | 101 | 114.3 Ų | 114.3 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -46.3 | -20.2 | 153.5 | -162.4 | 0 | 0 | 0 | 0 | 110.5 | C15 V19 L20 | C15-S17 PolarHBondContact O-N 3.49Å; S17-V19 VanDerWaalsContact C-N 3.32Å; S17-V19 PolarHBondContact O-N 3.49Å; S17-L20 PolarHBondContact O-N 3.34Å |
| 18 | A | 33.8 | Very low | 46.6 | Very low | 85 Ų | 85 | 114.2 Ų | 114.2 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -60.1 | -21.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S16 | S16-A18 PolarHBondContact O-N 3.01Š|
| 19 | V | 38.7 | Very low | 48.3 | Very low | 127 Ų | 127 | 115.6 Ų | 115.6 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -116.4 | 13.7 | 175 | -153.8 | 0 | 0 | 0 | 0 | 113 | S16 S17 G21 | S16-V19 PolarHBondContact O-N 3.21Å; S17-V19 VanDerWaalsContact C-N 3.32Å; S17-V19 PolarHBondContact O-N 3.49Å; V19-G21 PolarHBondContact O-N 2.86Å |
| 20 | L | 42.5 | Very low | 49.6 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 64% | 0.639 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -85.5 | 77.9 | 141.1 | -99.8 | 95.1 | 0 | 0 | 0 | 105.7 | S17 K22 | S17-L20 PolarHBondContact O-N 3.34Å; L20-K22 PolarHBondContact O-N 3.47Å |
| 21 | G | 35.4 | Very low | 51 | Low | 53 Ų | 53 | 114.1 Ų | 114.1 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | trans | -43 | 134.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | V19 R23 | V19-G21 PolarHBondContact O-N 2.86Å; G21-R23 WeakPolarHBondContact O-CA 3.3Å; G21-R23 VanDerWaalsContact O-CB 3.29Å; G21-R23 WeakPolarHBondContact O-CB 3.49Å; G21-R23 PolarHBondContact O-N 3.48Å | ||
| 22 | K | 44.4 | Very low | 52.4 | Low | 219 Ų | 219 | 111.3 Ų | 111.3 | 95% | 0.952 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -46.5 | 58.8 | -166.5 | -66.2 | 174.2 | 177.3 | 171.6 | 0 | 114.8 | L20 R24 | L20-K22 PolarHBondContact O-N 3.47Å; K22-R24 PolarHBondContact O-N 3.31Å |
| 23 | R | 52.9 | Low | 53.8 | Low | 218 Ų | 218 | 105.9 Ų | 105.9 | 82% | 0.823 | 57% | 0.567 | S | S | * | * | trans | -87.8 | 116.2 | -174.4 | -147.9 | 178.6 | -172.9 | -166.5 | 1.7 | 103 | G21 L25 | G21-R23 WeakPolarHBondContact O-CA 3.3Å; G21-R23 VanDerWaalsContact O-CB 3.29Å; G21-R23 WeakPolarHBondContact O-CB 3.49Å; G21-R23 PolarHBondContact O-N 3.48Å; R23-L25 VanDerWaalsContact C-N 3.35Å; R23-L25 PolarHBondContact O-N 3.43Å | ||
| 24 | R | 59.1 | Low | 55.5 | Low | 233 Ų | 233 | 104.4 Ų | 104.4 | 88% | 0.879 | 55% | 0.552 | S | S | * | * | trans | -60.2 | 106 | 172.2 | -72.5 | -175.6 | -179.9 | -176.3 | 0.9 | 106.4 | K22 S26 | K22-R24 PolarHBondContact O-N 3.31Å; R24-S26 PolarHBondContact O-N 3.07Å | ||
| 25 | L | 65.2 | Low | 57.5 | Low | 67 Ų | 67 | 105 Ų | 105 | 35% | 0.351 | 55% | 0.55 | S | S | . | * | trans | -48.6 | 130.4 | 170 | -80.5 | 145.7 | 0 | 0 | 0 | 108.3 | R23 E29 K30 | R23-L25 VanDerWaalsContact C-N 3.35Å; R23-L25 PolarHBondContact O-N 3.43Å; L25-E29 HydrophobicContact CB-CB 4.31Å; L25-E29 HydrophobicContact CD2-CB 3.49Å; L25-E29 VanDerWaalsContact CD2-CB 3.49Å; L25-E29 HydrophobicContact CD2-CG 4.2Å; L25-K30 HydrophobicContact CB-CD 4.45Å; L25-K30 HydrophobicContact CB-CG 3.74Å; L25-K30 WeakPolarHBondContact O-CE 3.24Å; L25-K30 PolarHBondContact O-NZ 2.83Å | ||
| 26 | S | 73.3 | Confident | 59.3 | Low | 53 Ų | 53 | 106.1 Ų | 106.1 | 37% | 0.371 | 55% | 0.552 | S | S | . | * | trans | -58.5 | 159.4 | 174.8 | 66.4 | 0 | 0 | 0 | 0 | 110 | R24 K28 E29 K30 | R24-S26 PolarHBondContact O-N 3.07Å; S26-K28 PolarHBondContact O-N 3.17Å; S26-E29 WeakPolarHBondContact CB-OE2 3.4Å; S26-E29 PolarHBondContact N-OE2 3.08Å; S26-E29 PolarHBondContact O-N 2.97Å; S26-E29 VanDerWaalsContact OG-CG 3.28Å; S26-E29 WeakPolarHBondContact OG-CG 3.26Å; S26-E29 PolarHBondContact OG-N 3.09Å; S26-E29 VanDerWaalsContact OG-N 3.17Å; S26-E29 PolarHBondContact OG-OE2 2.94Å; S26-K30 WeakPolarHBondContact O-CG 3.24Å; S26-K30 PolarHBondContact O-N 3.27Å | ||
| 27 | K | 72.1 | Confident | 61.3 | Low | 184 Ų | 184 | 105.1 Ų | 105.1 | 80% | 0.8 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -55.9 | -38.7 | 176.7 | -169.4 | 175.1 | -179.1 | 179.2 | 0 | 111 | S31 | K27-S31 PolarHBondContact O-N 2.75Å; K27-S31 VanDerWaalsContact O-N 3.1Å; K27-S31 PolarHBondContact O-OG 3.43Å |
| 28 | K | 71.6 | Confident | 62.8 | Low | 170 Ų | 170 | 101.5 Ų | 101.5 | 74% | 0.739 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.3 | -51.2 | 176.9 | -169.2 | 179.6 | -176.7 | -177.2 | 0 | 111.7 | S26 K30 S31 S32 | S26-K28 PolarHBondContact O-N 3.17Å; K28-K30 VanDerWaalsContact C-N 3.34Å; K28-K30 PolarHBondContact O-N 3.45Å; K28-S31 PolarHBondContact O-N 2.88Å; K28-S32 PolarHBondContact O-N 2.91Å; K28-S32 PolarHBondContact O-OG 3.14Å |
| 29 | E | 68.8 | Low | 64.8 | Low | 93 Ų | 93 | 104.6 Ų | 104.6 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 179.5 | -70.5 | 163.4 | 125.8 | 0 | 0 | 111.9 | L25 S26 S31 S32 T33 | L25-E29 HydrophobicContact CB-CB 4.31Å; L25-E29 HydrophobicContact CD2-CB 3.49Å; L25-E29 VanDerWaalsContact CD2-CB 3.49Å; L25-E29 HydrophobicContact CD2-CG 4.2Å; S26-E29 WeakPolarHBondContact CB-OE2 3.4Å; S26-E29 PolarHBondContact N-OE2 3.08Å; S26-E29 PolarHBondContact O-N 2.97Å; S26-E29 VanDerWaalsContact OG-CG 3.28Å; S26-E29 WeakPolarHBondContact OG-CG 3.26Å; S26-E29 PolarHBondContact OG-N 3.09Å; S26-E29 VanDerWaalsContact OG-N 3.17Å; S26-E29 PolarHBondContact OG-OE2 2.94Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 2.99Å; E29-S32 PolarHBondContact O-N 3.03Å; E29-T33 PolarHBondContact O-N 3.29Å; E29-T33 PolarHBondContact O-OG1 3.16Å |
| 30 | K | 69.5 | Low | 66.7 | Low | 93 Ų | 93 | 99 Ų | 99 | 40% | 0.404 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.9 | -70.9 | 173.2 | 179.2 | 160.3 | 0 | 112.2 | L25 S26 K28 A34 P108 | L25-K30 HydrophobicContact CB-CD 4.45Å; L25-K30 HydrophobicContact CB-CG 3.74Å; L25-K30 WeakPolarHBondContact O-CE 3.24Å; L25-K30 PolarHBondContact O-NZ 2.83Å; S26-K30 WeakPolarHBondContact O-CG 3.24Å; S26-K30 PolarHBondContact O-N 3.27Å; K28-K30 VanDerWaalsContact C-N 3.34Å; K28-K30 PolarHBondContact O-N 3.45Å; K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.12Å; K30-P108 HydrophobicContact CB-CG 4.48Å |
| 31 | S | 72 | Confident | 68.2 | Low | 57 Ų | 57 | 94.3 Ų | 94.3 | 40% | 0.399 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 176.4 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | K27 K28 E29 A34 L35 | K27-S31 PolarHBondContact O-N 2.75Å; K27-S31 VanDerWaalsContact O-N 3.1Å; K27-S31 PolarHBondContact O-OG 3.43Å; K28-S31 PolarHBondContact O-N 2.88Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 2.99Å; S31-A34 PolarHBondContact O-N 3.29Å; S31-L35 WeakPolarHBondContact O-CB 3.46Å; S31-L35 PolarHBondContact O-N 3.24Å |
| 32 | S | 71.6 | Confident | 70 | Confident | 59 Ų | 59 | 99.6 Ų | 99.6 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | K28 E29 A34 L35 L36 | K28-S32 PolarHBondContact O-N 2.91Å; K28-S32 PolarHBondContact O-OG 3.14Å; E29-S32 PolarHBondContact O-N 3.03Å; S32-A34 VanDerWaalsContact C-N 3.28Å; S32-A34 PolarHBondContact O-N 3.04Å; S32-L35 PolarHBondContact O-N 2.76Å; S32-L36 WeakPolarHBondContact O-CG 3.44Å; S32-L36 PolarHBondContact O-N 3.22Å |
| 33 | T | 71.2 | Confident | 71.6 | Confident | 40 Ų | 40 | 95 Ų | 95 | 25% | 0.245 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 175.2 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | E29 L36 V37 L102 A105 | E29-T33 PolarHBondContact O-N 3.29Å; E29-T33 PolarHBondContact O-OG1 3.16Å; T33-L36 PolarHBondContact O-N 2.94Å; T33-V37 WeakPolarHBondContact O-CG2 3.47Å; T33-V37 PolarHBondContact O-N 3.19Å; T33-L102 HydrophobicContact CG2-CD2 4.42Å; T33-A105 HydrophobicContact CG2-CB 3.68Å |
| 34 | A | 71.6 | Confident | 73 | Confident | 0 Ų | 0 | 88.7 Ų | 88.7 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K30 S31 S32 V37 A38 V107 L111 | K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.12Å; S31-A34 PolarHBondContact O-N 3.29Å; S32-A34 VanDerWaalsContact C-N 3.28Å; S32-A34 PolarHBondContact O-N 3.04Å; A34-V37 PolarHBondContact O-N 2.63Å; A34-A38 WeakPolarHBondContact O-CB 3.31Å; A34-A38 PolarHBondContact O-N 2.89Å; A34-V107 HydrophobicContact CB-CG1 3.61Å; A34-L111 HydrophobicContact CB-CB 3.81Å; A34-L111 HydrophobicContact CB-CD1 3.24Å; A34-L111 HydrophobicContact CB-CG 4.04Å |
| 35 | L | 76.8 | Confident | 74.3 | Confident | 119 Ų | 119 | 78.1 Ų | 78.1 | 62% | 0.623 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.8 | -41 | 174.2 | -173.8 | 68.3 | 0 | 0 | 0 | 111.4 | S31 S32 A38 F39 | S31-L35 WeakPolarHBondContact O-CB 3.46Å; S31-L35 PolarHBondContact O-N 3.24Å; S32-L35 PolarHBondContact O-N 2.76Å; L35-A38 WeakPolarHBondContact O-CB 3.48Å; L35-A38 PolarHBondContact O-N 2.82Å; L35-F39 WeakPolarHBondContact O-CB 3.45Å; L35-F39 PolarHBondContact O-N 3.17Å |
| 36 | L | 76.6 | Confident | 75.3 | Confident | 80 Ų | 80 | 79.1 Ų | 79.1 | 42% | 0.419 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 175.2 | -76.8 | 167.3 | 0 | 0 | 0 | 111.6 | S32 T33 A38 F39 V40 L102 | S32-L36 WeakPolarHBondContact O-CG 3.44Å; S32-L36 PolarHBondContact O-N 3.22Å; T33-L36 PolarHBondContact O-N 2.94Å; L36-A38 PolarHBondContact O-N 3.41Å; L36-F39 PolarHBondContact O-N 3.02Å; L36-V40 WeakPolarHBondContact O-CB 3.22Å; L36-V40 VanDerWaalsContact O-CG2 3.31Å; L36-V40 WeakPolarHBondContact O-CG2 3.3Å; L36-V40 PolarHBondContact O-N 3.21Å; L36-L102 HydrophobicContact CB-CD2 4.2Å |
| 37 | V | 77.4 | Confident | 76 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 21% | 0.206 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 174 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | T33 A34 G41 L102 V107 | T33-V37 WeakPolarHBondContact O-CG2 3.47Å; T33-V37 PolarHBondContact O-N 3.19Å; A34-V37 PolarHBondContact O-N 2.63Å; V37-G41 WeakPolarHBondContact O-CA 3.46Å; V37-G41 PolarHBondContact O-N 3.25Å; V37-L102 HydrophobicContact CG2-CB 4.09Å; V37-L102 HydrophobicContact CG2-CD2 3.98Å; V37-L102 WeakPolarHBondContact CG2-O 3.31Å; V37-V107 HydrophobicContact CB-CG2 3.87Å; V37-V107 HydrophobicContact CG1-CG2 3.97Å; V37-V107 HydrophobicContact CG2-CG2 3.64Å |
| 38 | A | 73.7 | Confident | 76.7 | Confident | 25 Ų | 25 | 72.8 Ų | 72.8 | 21% | 0.207 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A34 L35 L36 T115 | A34-A38 WeakPolarHBondContact O-CB 3.31Å; A34-A38 PolarHBondContact O-N 2.89Å; L35-A38 WeakPolarHBondContact O-CB 3.48Å; L35-A38 PolarHBondContact O-N 2.82Å; L36-A38 PolarHBondContact O-N 3.41Å; A38-T115 HydrophobicContact CB-CG2 3.93Å; A38-T115 WeakPolarHBondContact CB-OG1 3.34Å |
| 39 | F | 76.4 | Confident | 77.4 | Confident | 150 Ų | 150 | 67.6 Ų | 67.6 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.9 | -46.5 | -176.9 | -175.6 | -96.1 | 0 | 0 | 0 | 112.3 | L35 L36 G41 L48 | L35-F39 WeakPolarHBondContact O-CB 3.45Å; L35-F39 PolarHBondContact O-N 3.17Å; L36-F39 PolarHBondContact O-N 3.02Å; F39-G41 VanDerWaalsContact C-N 3.32Å; F39-L48 HydrophobicContact CD1-CD1 4.48Å; F39-L48 HydrophobicContact CE1-CD1 4.35Å |
| 40 | V | 78.7 | Confident | 78.3 | Confident | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | L36 N42 R43 V45 L48 L102 | L36-V40 WeakPolarHBondContact O-CB 3.22Å; L36-V40 VanDerWaalsContact O-CG2 3.31Å; L36-V40 WeakPolarHBondContact O-CG2 3.3Å; L36-V40 PolarHBondContact O-N 3.21Å; V40-N42 PolarHBondContact O-N 3.07Å; V40-R43 WeakPolarHBondContact CG1-O 3.33Å; V40-R43 WeakPolarHBondContact O-CB 2.88Å; V40-R43 PolarHBondContact O-N 3.22Å; V40-V45 HydrophobicContact CG1-CG2 3.72Å; V40-V45 HydrophobicContact CG2-CG2 4.34Å; V40-L48 HydrophobicContact CB-CD1 4.46Å; V40-L48 HydrophobicContact CG1-CD1 4.45Å; V40-L48 HydrophobicContact CG2-CD1 4.19Å; V40-L102 HydrophobicContact CB-CD1 4.38Å; V40-L102 HydrophobicContact CG2-CD1 3.93Å |
| 41 | G | 73.5 | Confident | 79.1 | Confident | 22 Ų | 22 | 62 Ų | 62 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -127.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V37 F39 | V37-G41 WeakPolarHBondContact O-CA 3.46Å; V37-G41 PolarHBondContact O-N 3.25Å; F39-G41 VanDerWaalsContact C-N 3.32Å |
| 42 | N | 73.1 | Confident | 79.8 | Confident | 165 Ų | 165 | 66.1 Ų | 66.1 | 88% | 0.882 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 7.1 | 173.8 | -80.3 | 3.4 | 0 | 0 | 0 | 113.6 | V40 | V40-N42 PolarHBondContact O-N 3.07Š|
| 43 | R | 78.1 | Confident | 80.6 | Confident | 122 Ų | 122 | 66.5 Ų | 66.5 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -79.8 | 143.4 | -177.7 | -55.5 | -172.6 | -150.5 | -159.7 | 5.5 | 110.4 | V40 V45 | V40-R43 WeakPolarHBondContact CG1-O 3.33Å; V40-R43 WeakPolarHBondContact O-CB 2.88Å; V40-R43 PolarHBondContact O-N 3.22Å; R43-V45 PolarHBondContact O-N 2.98Å |
| 44 | P | 81.9 | Confident | 81.3 | Confident | 85 Ų | 85 | 66 Ų | 66 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | trans | -59.9 | 127.9 | 170 | -17.5 | 29.4 | 0 | 0 | 0 | 109.8 | K46 S47 | P44-K46 PolarHBondContact O-N 3.33Å; P44-K46 VanDerWaalsContact O-N 3.15Å; P44-S47 PolarHBondContact O-N 3.47Å; P44-S47 PolarHBondContact O-OG 3.19Å | ||
| 45 | V | 86.8 | Confident | 81.9 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.4 | -36.9 | 178 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | V40 R43 S47 L48 V49 C95 F98 | V40-V45 HydrophobicContact CG1-CG2 3.72Å; V40-V45 HydrophobicContact CG2-CG2 4.34Å; R43-V45 PolarHBondContact O-N 2.98Å; V45-S47 PolarHBondContact O-N 2.9Å; V45-L48 WeakPolarHBondContact O-CB 3.4Å; V45-L48 PolarHBondContact O-N 3.26Å; V45-V49 HydrophobicContact CG1-CG2 4.13Å; V45-V49 PolarHBondContact O-N 3.17Å; V45-V49 VanDerWaalsContact O-N 3.08Å; V45-C95 HydrophobicContact CB-CB 4.15Å; V45-C95 HydrophobicContact CG1-CB 4.22Å; V45-F98 HydrophobicContact CG1-CD1 4.09Å; V45-F98 HydrophobicContact CG2-CD1 4.07Å |
| 46 | K | 87.5 | Confident | 82.5 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 38% | 0.383 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.5 | -33.2 | 177 | -170.9 | 178.6 | 179.3 | -179.5 | 0 | 113.2 | P44 L48 S92 C95 | P44-K46 PolarHBondContact O-N 3.33Å; P44-K46 VanDerWaalsContact O-N 3.15Å; K46-L48 PolarHBondContact O-N 2.51Å; K46-S92 VanDerWaalsContact CE-OG 3.26Å; K46-S92 WeakPolarHBondContact CE-OG 3.33Å; K46-S92 PolarHBondContact NZ-OG 2.9Å; K46-C95 HydrophobicContact CB-CB 3.94Å |
| 47 | S | 87.2 | Confident | 82.9 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 44% | 0.441 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.5 | -12.3 | 177.6 | 74 | 0 | 0 | 0 | 0 | 113 | P44 V45 | P44-S47 PolarHBondContact O-N 3.47Å; P44-S47 PolarHBondContact O-OG 3.19Å; V45-S47 PolarHBondContact O-N 2.9Å |
| 48 | L | 86.2 | Confident | 83.4 | Confident | 40 Ų | 40 | 73.6 Ų | 73.6 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -94.6 | -35.7 | 176.2 | -61 | 174.6 | 0 | 0 | 0 | 111.3 | F39 V40 V45 K46 T50 N53 | F39-L48 HydrophobicContact CD1-CD1 4.48Å; F39-L48 HydrophobicContact CE1-CD1 4.35Å; V40-L48 HydrophobicContact CB-CD1 4.46Å; V40-L48 HydrophobicContact CG1-CD1 4.45Å; V40-L48 HydrophobicContact CG2-CD1 4.19Å; V45-L48 WeakPolarHBondContact O-CB 3.4Å; V45-L48 PolarHBondContact O-N 3.26Å; K46-L48 PolarHBondContact O-N 2.51Å; L48-T50 PolarHBondContact O-N 3.32Å; L48-N53 PolarHBondContact O-ND2 3.41Å |
| 49 | V | 87.5 | Confident | 83.9 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 38% | 0.376 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -95.6 | 71.7 | -179.5 | -164.3 | 0 | 0 | 0 | 0 | 109.7 | V45 L86 F91 | V45-V49 HydrophobicContact CG1-CG2 4.13Å; V45-V49 PolarHBondContact O-N 3.17Å; V45-V49 VanDerWaalsContact O-N 3.08Å; V49-L86 HydrophobicContact CG1-CD2 4.3Å; V49-F91 HydrophobicContact CB-CE1 4.44Å; V49-F91 HydrophobicContact CB-CZ 4.21Å; V49-F91 HydrophobicContact CG1-CE1 4.32Å; V49-F91 HydrophobicContact CG1-CZ 3.77Å |
| 50 | T | 87.2 | Confident | 84.4 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 23% | 0.233 | 41% | 0.407 | C | S | . | . | trans | -105.6 | 159.6 | 177.8 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | L48 E52 N53 F54 | L48-T50 PolarHBondContact O-N 3.32Å; T50-E52 PolarHBondContact O-N 2.87Å; T50-N53 PolarHBondContact O-N 3.27Å; T50-N53 VanDerWaalsContact O-N 3.17Å; T50-N53 PolarHBondContact OG1-N 3.23Å; T50-N53 PolarHBondContact OG1-ND2 3.19Å; T50-F54 WeakPolarHBondContact O-CB 3.4Å; T50-F54 PolarHBondContact O-N 3.1Å | ||
| 51 | V | 86.1 | Confident | 84.9 | Confident | 30 Ų | 30 | 82.7 Ų | 82.7 | 18% | 0.182 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -56.4 | -40.6 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 111 | N53 F54 A55 M83 L86 | V51-N53 PolarHBondContact O-N 3.02Å; V51-F54 WeakPolarHBondContact O-CB 3.45Å; V51-F54 PolarHBondContact O-N 2.83Å; V51-A55 WeakPolarHBondContact O-CB 3.35Å; V51-A55 PolarHBondContact O-N 3.39Å; V51-M83 HydrophobicContact CG2-CB 4.15Å; V51-L86 HydrophobicContact CG2-CD1 4.39Å |
| 52 | E | 86.8 | Confident | 85.5 | Confident | 144 Ų | 144 | 84 Ų | 84 | 67% | 0.673 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | 177.8 | -66.3 | 169.2 | 162.6 | 0 | 0 | 112.6 | T50 R56 | T50-E52 PolarHBondContact O-N 2.87Å; E52-R56 WeakPolarHBondContact O-CG 3.28Å |
| 53 | N | 87.5 | Confident | 86 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 36% | 0.358 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.8 | -36.2 | 176.8 | -74 | -21.2 | 0 | 0 | 0 | 111.3 | L48 T50 V51 R56 | L48-N53 PolarHBondContact O-ND2 3.41Å; T50-N53 PolarHBondContact O-N 3.27Å; T50-N53 VanDerWaalsContact O-N 3.17Å; T50-N53 PolarHBondContact OG1-N 3.23Å; T50-N53 PolarHBondContact OG1-ND2 3.19Å; V51-N53 PolarHBondContact O-N 3.02Å; N53-R56 PolarHBondContact O-N 3.22Å |
| 54 | F | 86.1 | Confident | 86.6 | Confident | 28 Ų | 28 | 84 Ų | 84 | 12% | 0.123 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 174.7 | -175.9 | -94.6 | 0 | 0 | 0 | 111.7 | T50 V51 R56 I57 Q62 L65 V66 M83 L86 | T50-F54 WeakPolarHBondContact O-CB 3.4Å; T50-F54 PolarHBondContact O-N 3.1Å; V51-F54 WeakPolarHBondContact O-CB 3.45Å; V51-F54 PolarHBondContact O-N 2.83Å; F54-R56 PolarHBondContact O-N 3.21Å; F54-R56 VanDerWaalsContact O-N 3.14Å; F54-I57 HydrophobicContact CD2-CD1 4.43Å; F54-I57 VanDerWaalsContact O-CB 3.3Å; F54-I57 WeakPolarHBondContact O-CB 3.49Å; F54-I57 PolarHBondContact O-N 3.02Å; F54-Q62 HydrophobicContact CD1-CG 4.33Å; F54-Q62 HydrophobicContact CE1-CB 3.9Å; F54-Q62 HydrophobicContact CE1-CG 3.75Å; F54-Q62 HydrophobicContact CE2-CB 4.32Å; F54-Q62 HydrophobicContact CE2-CG 4.3Å; F54-Q62 HydrophobicContact CZ-CB 3.55Å; F54-Q62 HydrophobicContact CZ-CG 3.73Å; F54-Q62 PolarHBondContact O-NE2 2.89Å; F54-L65 HydrophobicContact CD2-CD1 4.22Å; F54-L65 HydrophobicContact CE2-CB 3.82Å; F54-L65 HydrophobicContact CE2-CD1 3.89Å; F54-V66 HydrophobicContact CZ-CG2 3.83Å; F54-M83 HydrophobicContact CD1-SD 3.66Å; F54-M83 HydrophobicContact CD2-SD 4.37Å; F54-M83 HydrophobicContact CE1-SD 3.75Å; F54-M83 HydrophobicContact CE2-SD 4.43Å; F54-M83 HydrophobicContact CG-SD 4Å; F54-M83 HydrophobicContact CZ-SD 4.15Å; F54-L86 HydrophobicContact CB-CD1 4.41Å |
| 55 | A | 85.5 | Confident | 86.8 | Confident | 68 Ų | 68 | 83.5 Ų | 83.5 | 56% | 0.562 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.3 | -21.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | V51 I57 Q62 | V51-A55 WeakPolarHBondContact O-CB 3.35Å; V51-A55 PolarHBondContact O-N 3.39Å; A55-I57 VanDerWaalsContact C-N 3.33Å; A55-Q62 PolarHBondContact O-NE2 3.18Å |
| 56 | R | 88.2 | Confident | 86.9 | Confident | 203 Ų | 203 | 84.1 Ų | 84.1 | 77% | 0.766 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12.8 | 176.7 | -66.6 | 172 | -173.8 | -141.7 | 1.5 | 113.5 | E52 N53 F54 | E52-R56 WeakPolarHBondContact O-CG 3.28Å; N53-R56 PolarHBondContact O-N 3.22Å; F54-R56 PolarHBondContact O-N 3.21Å; F54-R56 VanDerWaalsContact O-N 3.14Å |
| 57 | I | 85.4 | Confident | 86.9 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -78.6 | 144.4 | -179.2 | -60.2 | 176.3 | 0 | 0 | 0 | 109.2 | F54 A55 W61 Q62 L65 | F54-I57 HydrophobicContact CD2-CD1 4.43Å; F54-I57 VanDerWaalsContact O-CB 3.3Å; F54-I57 WeakPolarHBondContact O-CB 3.49Å; F54-I57 PolarHBondContact O-N 3.02Å; A55-I57 VanDerWaalsContact C-N 3.33Å; I57-W61 HydrophobicContact CG2-CB 3.55Å; I57-W61 HydrophobicContact CG2-CE3 4.07Å; I57-W61 HydrophobicContact CG2-CG 4.46Å; I57-Q62 HydrophobicContact CB-CG 4.07Å; I57-Q62 HydrophobicContact CG2-CG 4.25Å; I57-Q62 PolarHBondContact O-NE2 3Å; I57-L65 HydrophobicContact CD1-CD1 3.7Å; I57-L65 HydrophobicContact CG2-CD1 4.49Å |
| 58 | P | 87.9 | Confident | 87 | Confident | 71 Ų | 71 | 86.5 Ų | 86.5 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | trans | -54.5 | 142.9 | 173 | -26.4 | 35 | 0 | 0 | 0 | 113.1 | E60 W61 Q62 | P58-E60 PolarHBondContact O-N 2.89Å; P58-E60 VanDerWaalsContact O-N 3.11Å; P58-W61 HydrophobicContact CG-CE3 4.4Å; P58-W61 PolarHBondContact O-N 2.92Å; P58-Q62 PolarHBondContact O-N 3.39Å | ||
| 59 | A | 84.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 86 Ų | 86 | 53% | 0.529 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.8 | -31.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q62 K63 | A59-Q62 PolarHBondContact O-N 3.39Å; A59-K63 WeakPolarHBondContact O-CG 3.43Å; A59-K63 PolarHBondContact O-N 3.41Å; A59-K63 VanDerWaalsContact O-N 3.07Å |
| 60 | E | 87 | Confident | 87.1 | Confident | 158 Ų | 158 | 86.7 Ų | 86.7 | 74% | 0.738 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 176.4 | -62.2 | -174.6 | -167.7 | 0 | 0 | 111.8 | P58 K63 E64 | P58-E60 PolarHBondContact O-N 2.89Å; P58-E60 VanDerWaalsContact O-N 3.11Å; E60-K63 PolarHBondContact O-N 3.33Å; E60-E64 PolarHBondContact O-N 3.23Å |
| 61 | W | 88.5 | Confident | 87 | Confident | 156 Ų | 156 | 93 Ų | 93 | 59% | 0.591 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -74 | -31.1 | 178.1 | -63.1 | -1.5 | 0 | 0 | 0 | 111.6 | I57 P58 K63 E64 L65 | I57-W61 HydrophobicContact CG2-CB 3.55Å; I57-W61 HydrophobicContact CG2-CE3 4.07Å; I57-W61 HydrophobicContact CG2-CG 4.46Å; P58-W61 HydrophobicContact CG-CE3 4.4Å; P58-W61 PolarHBondContact O-N 2.92Å; W61-K63 VanDerWaalsContact C-N 3.32Å; W61-K63 PolarHBondContact O-N 3.37Å; W61-E64 PolarHBondContact O-N 2.83Å; W61-L65 WeakPolarHBondContact O-CB 3.49Å; W61-L65 VanDerWaalsContact O-CG 3.26Å; W61-L65 WeakPolarHBondContact O-CG 3.48Å; W61-L65 PolarHBondContact O-N 3.2Å |
| 62 | Q | 85.9 | Confident | 86.9 | Confident | 49 Ų | 49 | 97.3 Ų | 97.3 | 23% | 0.229 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 170.8 | -69.4 | -178.7 | 7.4 | 0 | 0 | 111.2 | F54 A55 I57 P58 A59 E64 L65 V66 | F54-Q62 HydrophobicContact CD1-CG 4.33Å; F54-Q62 HydrophobicContact CE1-CB 3.9Å; F54-Q62 HydrophobicContact CE1-CG 3.75Å; F54-Q62 HydrophobicContact CE2-CB 4.32Å; F54-Q62 HydrophobicContact CE2-CG 4.3Å; F54-Q62 HydrophobicContact CZ-CB 3.55Å; F54-Q62 HydrophobicContact CZ-CG 3.73Å; F54-Q62 PolarHBondContact O-NE2 2.89Å; A55-Q62 PolarHBondContact O-NE2 3.18Å; I57-Q62 HydrophobicContact CB-CG 4.07Å; I57-Q62 HydrophobicContact CG2-CG 4.25Å; I57-Q62 PolarHBondContact O-NE2 3Å; P58-Q62 PolarHBondContact O-N 3.39Å; A59-Q62 PolarHBondContact O-N 3.39Å; Q62-E64 VanDerWaalsContact C-N 3.35Å; Q62-E64 PolarHBondContact O-N 3.35Å; Q62-L65 PolarHBondContact O-N 3.24Å; Q62-V66 WeakPolarHBondContact O-CB 3.37Å; Q62-V66 VanDerWaalsContact O-CG2 3.3Å; Q62-V66 WeakPolarHBondContact O-CG2 3.29Å; Q62-V66 PolarHBondContact O-N 3.08Å |
| 63 | K | 85.3 | Confident | 86.8 | Confident | 162 Ų | 162 | 91.9 Ų | 91.9 | 70% | 0.704 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 176.3 | -73.3 | 177.7 | -178.6 | 179.3 | 0 | 111.8 | A59 E60 W61 V66 S67 | A59-K63 WeakPolarHBondContact O-CG 3.43Å; A59-K63 PolarHBondContact O-N 3.41Å; A59-K63 VanDerWaalsContact O-N 3.07Å; E60-K63 PolarHBondContact O-N 3.33Å; W61-K63 VanDerWaalsContact C-N 3.32Å; W61-K63 PolarHBondContact O-N 3.37Å; K63-V66 PolarHBondContact O-N 2.7Å; K63-S67 PolarHBondContact O-N 3.49Å |
| 64 | E | 89.4 | Confident | 86.6 | Confident | 125 Ų | 125 | 91.7 Ų | 91.7 | 58% | 0.584 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62 | -46.1 | 176.7 | -169.3 | 177.9 | 176 | 0 | 0 | 111.3 | E60 W61 Q62 V66 S67 L68 | E60-E64 PolarHBondContact O-N 3.23Å; W61-E64 PolarHBondContact O-N 2.83Å; Q62-E64 VanDerWaalsContact C-N 3.35Å; Q62-E64 PolarHBondContact O-N 3.35Å; E64-V66 PolarHBondContact O-N 2.93Å; E64-S67 WeakPolarHBondContact O-CB 3.08Å; E64-S67 PolarHBondContact O-N 3.48Å; E64-S67 VanDerWaalsContact O-N 3.15Å; E64-S67 PolarHBondContact O-OG 3.05Å; E64-L68 PolarHBondContact O-N 2.86Å |
| 65 | L | 87.5 | Confident | 86 | Confident | 74 Ų | 74 | 96.9 Ų | 96.9 | 39% | 0.387 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 177.2 | -72.1 | 172.8 | 0 | 0 | 0 | 112.6 | F54 I57 W61 Q62 S67 L68 | F54-L65 HydrophobicContact CD2-CD1 4.22Å; F54-L65 HydrophobicContact CE2-CB 3.82Å; F54-L65 HydrophobicContact CE2-CD1 3.89Å; I57-L65 HydrophobicContact CD1-CD1 3.7Å; I57-L65 HydrophobicContact CG2-CD1 4.49Å; W61-L65 WeakPolarHBondContact O-CB 3.49Å; W61-L65 VanDerWaalsContact O-CG 3.26Å; W61-L65 WeakPolarHBondContact O-CG 3.48Å; W61-L65 PolarHBondContact O-N 3.2Å; Q62-L65 PolarHBondContact O-N 3.24Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.94Å; L65-L68 WeakPolarHBondContact O-CB 3.46Å; L65-L68 PolarHBondContact O-N 2.72Å; L65-L68 VanDerWaalsContact O-N 3.16Å |
| 66 | V | 87.8 | Confident | 85 | Confident | 25 Ų | 25 | 95.7 Ų | 95.7 | 15% | 0.152 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 174.5 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | F54 Q62 K63 E64 L68 L69 Q74 L79 | F54-V66 HydrophobicContact CZ-CG2 3.83Å; Q62-V66 WeakPolarHBondContact O-CB 3.37Å; Q62-V66 VanDerWaalsContact O-CG2 3.3Å; Q62-V66 WeakPolarHBondContact O-CG2 3.29Å; Q62-V66 PolarHBondContact O-N 3.08Å; K63-V66 PolarHBondContact O-N 2.7Å; E64-V66 PolarHBondContact O-N 2.93Å; V66-L68 PolarHBondContact O-N 3.27Å; V66-L68 VanDerWaalsContact O-N 3.08Å; V66-L69 VanDerWaalsContact O-CB 3.31Å; V66-L69 WeakPolarHBondContact O-CB 3.18Å; V66-L69 PolarHBondContact O-N 2.82Å; V66-Q74 WeakPolarHBondContact O-CG 3.34Å; V66-L79 HydrophobicContact CG1-CD1 3.77Å; V66-L79 HydrophobicContact CG2-CD1 4.29Å; V66-L79 HydrophobicContact CG2-CD2 4.39Å |
| 67 | S | 88.5 | Confident | 83.4 | Confident | 67 Ų | 67 | 92 Ų | 92 | 47% | 0.469 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -18.4 | 178 | 82.1 | 0 | 0 | 0 | 0 | 114 | K63 E64 L65 Q74 | K63-S67 PolarHBondContact O-N 3.49Å; E64-S67 WeakPolarHBondContact O-CB 3.08Å; E64-S67 PolarHBondContact O-N 3.48Å; E64-S67 VanDerWaalsContact O-N 3.15Å; E64-S67 PolarHBondContact O-OG 3.05Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.94Å; S67-Q74 PolarHBondContact O-NE2 3.33Å |
| 68 | L | 88.6 | Confident | 82.1 | Confident | 134 Ų | 134 | 92.3 Ų | 92.3 | 70% | 0.702 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -12.3 | 175.1 | -59.6 | 175.4 | 0 | 0 | 0 | 113.4 | E64 L65 V66 | E64-L68 PolarHBondContact O-N 2.86Å; L65-L68 WeakPolarHBondContact O-CB 3.46Å; L65-L68 PolarHBondContact O-N 2.72Å; L65-L68 VanDerWaalsContact O-N 3.16Å; V66-L68 PolarHBondContact O-N 3.27Å; V66-L68 VanDerWaalsContact O-N 3.08Å |
| 69 | L | 88 | Confident | 80.8 | Confident | 30 Ų | 30 | 90.3 Ų | 90.3 | 16% | 0.157 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -72 | 161.8 | 177.4 | -65.8 | 175.6 | 0 | 0 | 0 | 111.5 | V66 D73 Q74 M83 A85 | V66-L69 VanDerWaalsContact O-CB 3.31Å; V66-L69 WeakPolarHBondContact O-CB 3.18Å; V66-L69 PolarHBondContact O-N 2.82Å; L69-D73 HydrophobicContact CB-CB 4.17Å; L69-D73 HydrophobicContact CD1-CB 4.47Å; L69-Q74 HydrophobicContact CB-CG 4.27Å; L69-Q74 PolarHBondContact O-NE2 3.03Å; L69-M83 HydrophobicContact CD1-CE 3.41Å; L69-M83 VanDerWaalsContact CD1-CE 3.41Å; L69-A85 HydrophobicContact CD1-CB 4.17Å |
| 70 | P | 87 | Confident | 79.6 | Confident | 76 Ų | 76 | 96.5 Ų | 96.5 | 49% | 0.494 | 49% | 0.492 | S | S | . | . | trans | -54.7 | 142.6 | 169 | -24.3 | 34.9 | 0 | 0 | 0 | 111.6 | V72 D73 Q74 | P70-V72 HydrophobicContact CB-CG2 3.95Å; P70-V72 PolarHBondContact O-N 3.24Å; P70-D73 WeakPolarHBondContact CD-OD2 3.39Å; P70-D73 WeakPolarHBondContact CG-OD2 3.45Å; P70-D73 WeakPolarHBondContact O-CA 3.41Å; P70-D73 WeakPolarHBondContact O-CB 3.48Å; P70-D73 PolarHBondContact O-N 3.33Å; P70-Q74 WeakPolarHBondContact O-CG 3.37Å; P70-Q74 PolarHBondContact O-N 2.96Å; P70-Q74 VanDerWaalsContact O-N 3.12Å | ||
| 71 | K | 86.2 | Confident | 78.3 | Confident | 171 Ų | 171 | 93 Ų | 93 | 74% | 0.743 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -52.5 | -30.9 | -177.1 | -68.4 | -173.3 | 177.9 | -177 | 0 | 114.3 | D73 Q74 N75 | K71-D73 VanDerWaalsContact C-N 3.3Å; K71-Q74 PolarHBondContact O-N 3.36Å; K71-N75 PolarHBondContact O-ND2 3.46Å |
| 72 | V | 83.7 | Confident | 77 | Confident | 120 Ų | 120 | 90.9 Ų | 90.9 | 73% | 0.727 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.7 | -35.4 | 176.5 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | P70 | P70-V72 HydrophobicContact CB-CG2 3.95Å; P70-V72 PolarHBondContact O-N 3.24Å |
| 73 | D | 83.6 | Confident | 76.5 | Confident | 30 Ų | 30 | 88.6 Ų | 88.6 | 16% | 0.16 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -87.6 | -21.8 | -179.1 | -64.3 | -47.8 | 0 | 0 | 0 | 112.3 | L69 P70 K71 N75 A85 | L69-D73 HydrophobicContact CB-CB 4.17Å; L69-D73 HydrophobicContact CD1-CB 4.47Å; P70-D73 WeakPolarHBondContact CD-OD2 3.39Å; P70-D73 WeakPolarHBondContact CG-OD2 3.45Å; P70-D73 WeakPolarHBondContact O-CA 3.41Å; P70-D73 WeakPolarHBondContact O-CB 3.48Å; P70-D73 PolarHBondContact O-N 3.33Å; K71-D73 VanDerWaalsContact C-N 3.3Å; D73-N75 VanDerWaalsContact C-N 3.31Å; D73-N75 PolarHBondContact O-N 2.75Å; D73-A85 HydrophobicContact CB-CB 3.69Å |
| 74 | Q | 84.9 | Confident | 76.2 | Confident | 64 Ų | 64 | 83.5 Ų | 83.5 | 30% | 0.299 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.8 | -32.7 | 178.2 | -66.8 | -172.9 | 10.8 | 0 | 0 | 113.1 | V66 S67 L69 P70 K71 D76 | V66-Q74 WeakPolarHBondContact O-CG 3.34Å; S67-Q74 PolarHBondContact O-NE2 3.33Å; L69-Q74 HydrophobicContact CB-CG 4.27Å; L69-Q74 PolarHBondContact O-NE2 3.03Å; P70-Q74 WeakPolarHBondContact O-CG 3.37Å; P70-Q74 PolarHBondContact O-N 2.96Å; P70-Q74 VanDerWaalsContact O-N 3.12Å; K71-Q74 PolarHBondContact O-N 3.36Å; Q74-D76 VanDerWaalsContact C-N 3.34Å |
| 75 | N | 72 | Confident | 75.9 | Confident | 136 Ų | 136 | 77.7 Ų | 77.7 | 73% | 0.727 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 4.7 | -173.5 | -67.9 | -28.9 | 0 | 0 | 0 | 112.9 | K71 D73 P77 | K71-N75 PolarHBondContact O-ND2 3.46Å; D73-N75 VanDerWaalsContact C-N 3.31Å; D73-N75 PolarHBondContact O-N 2.75Å; N75-P77 VanDerWaalsContact O-CD 3.24Å; N75-P77 WeakPolarHBondContact O-CD 3.39Å |
| 76 | D | 64.8 | Low | 75.8 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 24% | 0.235 | 42% | 0.415 | C | S | . | . | trans | -73.5 | 116.4 | -175.3 | -163.8 | -32.2 | 0 | 0 | 0 | 110.5 | Q74 T78 L79 P84 | Q74-D76 VanDerWaalsContact C-N 3.34Å; D76-T78 VanDerWaalsContact CG-OG1 3.23Å; D76-T78 PolarHBondContact O-N 2.65Å; D76-T78 VanDerWaalsContact O-N 3.09Å; D76-T78 WeakPolarHBondContact OD1-CB 3.39Å; D76-T78 PolarHBondContact OD1-N 3.4Å; D76-T78 PolarHBondContact OD1-OG1 3.2Å; D76-T78 PolarHBondContact OD2-OG1 3.05Å; D76-L79 HydrophobicContact CB-CG 4.29Å; D76-L79 WeakPolarHBondContact O-CD1 3.26Å; D76-L79 VanDerWaalsContact O-CG 3.24Å; D76-L79 WeakPolarHBondContact O-CG 3.4Å; D76-L79 PolarHBondContact O-N 2.92Å; D76-P84 WeakPolarHBondContact OD2-CG 3.42Å | ||
| 77 | P | 56 | Low | 75.6 | Confident | 124 Ų | 124 | 78.7 Ų | 78.7 | 81% | 0.805 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.7 | 179 | 26.3 | -33.3 | 0 | 0 | 0 | 113 | N75 | N75-P77 VanDerWaalsContact O-CD 3.24Å; N75-P77 WeakPolarHBondContact O-CD 3.39Å |
| 78 | T | 57.4 | Low | 75.6 | Confident | 58 Ų | 58 | 77.6 Ų | 77.6 | 36% | 0.356 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.2 | -180 | 67 | 0 | 0 | 0 | 0 | 114.6 | D76 Q80 S81 N82 | D76-T78 VanDerWaalsContact CG-OG1 3.23Å; D76-T78 PolarHBondContact O-N 2.65Å; D76-T78 VanDerWaalsContact O-N 3.09Å; D76-T78 WeakPolarHBondContact OD1-CB 3.39Å; D76-T78 PolarHBondContact OD1-N 3.4Å; D76-T78 PolarHBondContact OD1-OG1 3.2Å; D76-T78 PolarHBondContact OD2-OG1 3.05Å; T78-Q80 PolarHBondContact O-N 3.37Å; T78-S81 PolarHBondContact O-N 3.15Å; T78-N82 PolarHBondContact O-N 3.01Å |
| 79 | L | 59.6 | Low | 75.6 | Confident | 30 Ų | 30 | 79 Ų | 79 | 16% | 0.157 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -21.7 | 179.8 | -81.9 | 169 | 0 | 0 | 0 | 114.2 | V66 D76 M83 | V66-L79 HydrophobicContact CG1-CD1 3.77Å; V66-L79 HydrophobicContact CG2-CD1 4.29Å; V66-L79 HydrophobicContact CG2-CD2 4.39Å; D76-L79 HydrophobicContact CB-CG 4.29Å; D76-L79 WeakPolarHBondContact O-CD1 3.26Å; D76-L79 VanDerWaalsContact O-CG 3.24Å; D76-L79 WeakPolarHBondContact O-CG 3.4Å; D76-L79 PolarHBondContact O-N 2.92Å; L79-M83 HydrophobicContact CD2-CB 4.45Å; L79-M83 HydrophobicContact CD2-CE 3.2Å; L79-M83 HydrophobicContact CD2-CG 3.69Å; L79-M83 HydrophobicContact CD2-SD 3.95Å; L79-M83 VanDerWaalsContact O-CG 3.22Å; L79-M83 WeakPolarHBondContact O-CG 3.07Å |
| 80 | Q | 59.8 | Low | 75.8 | Confident | 194 Ų | 194 | 86.1 Ų | 86.1 | 91% | 0.907 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -23.2 | -179.4 | -68.6 | -168.1 | -2.6 | 0 | 0 | 115.5 | T78 | T78-Q80 PolarHBondContact O-N 3.37Š|
| 81 | S | 59.6 | Low | 75.9 | Confident | 85 Ų | 85 | 84.5 Ų | 84.5 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | -31.1 | -172.5 | 62.6 | 0 | 0 | 0 | 0 | 114.6 | T78 | T78-S81 PolarHBondContact O-N 3.15Š|
| 82 | N | 60.4 | Low | 76.2 | Confident | 110 Ų | 110 | 77.4 Ų | 77.4 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | trans | -157.1 | 75.4 | -179.9 | -85.8 | -40 | 0 | 0 | 0 | 109.5 | T78 P84 | T78-N82 PolarHBondContact O-N 3.01Å; N82-P84 WeakPolarHBondContact O-CD 3.4Å; N82-P84 WeakPolarHBondContact O-CG 3.5Å | ||
| 83 | M | 75.6 | Confident | 76.5 | Confident | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | trans | -53.9 | 101.2 | -178.5 | -74.6 | -167.2 | 68.3 | 0 | 0 | 111.8 | V51 F54 L69 L79 A85 L86 | V51-M83 HydrophobicContact CG2-CB 4.15Å; F54-M83 HydrophobicContact CD1-SD 3.66Å; F54-M83 HydrophobicContact CD2-SD 4.37Å; F54-M83 HydrophobicContact CE1-SD 3.75Å; F54-M83 HydrophobicContact CE2-SD 4.43Å; F54-M83 HydrophobicContact CG-SD 4Å; F54-M83 HydrophobicContact CZ-SD 4.15Å; L69-M83 HydrophobicContact CD1-CE 3.41Å; L69-M83 VanDerWaalsContact CD1-CE 3.41Å; L79-M83 HydrophobicContact CD2-CB 4.45Å; L79-M83 HydrophobicContact CD2-CE 3.2Å; L79-M83 HydrophobicContact CD2-CG 3.69Å; L79-M83 HydrophobicContact CD2-SD 3.95Å; L79-M83 VanDerWaalsContact O-CG 3.22Å; L79-M83 WeakPolarHBondContact O-CG 3.07Å; M83-A85 HydrophobicContact CE-CB 4.2Å; M83-A85 PolarHBondContact O-N 2.09Å; M83-L86 HydrophobicContact CB-CB 4.37Å; M83-L86 HydrophobicContact CB-CD1 4.17Å; M83-L86 HydrophobicContact CB-CG 4.01Å; M83-L86 HydrophobicContact CE-CD1 4.25Å; M83-L86 HydrophobicContact CE-CD2 4.44Å; M83-L86 HydrophobicContact CE-CG 4Å; M83-L86 PolarHBondContact O-N 3.13Å; M83-L86 HydrophobicContact SD-CD1 3.68Å; M83-L86 HydrophobicContact SD-CG 4.04Å | ||
| 84 | P | 79.9 | Confident | 76.8 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -66.9 | -28.3 | -177 | -17.1 | 34 | 0 | 0 | 0 | 110.3 | D76 N82 L86 N87 N88 | D76-P84 WeakPolarHBondContact OD2-CG 3.42Å; N82-P84 WeakPolarHBondContact O-CD 3.4Å; N82-P84 WeakPolarHBondContact O-CG 3.5Å; P84-L86 PolarHBondContact O-N 3.38Å; P84-N87 CarbonylContact O-C 3.48Å; P84-N87 PolarHBondContact O-N 3.29Å; P84-N88 PolarHBondContact O-N 2.85Å |
| 85 | A | 82.8 | Confident | 77.1 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 3% | 0.025 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -51.2 | -35.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L69 D73 M83 N88 F91 | L69-A85 HydrophobicContact CD1-CB 4.17Å; D73-A85 HydrophobicContact CB-CB 3.69Å; M83-A85 HydrophobicContact CE-CB 4.2Å; M83-A85 PolarHBondContact O-N 2.09Å; A85-N88 PolarHBondContact O-ND2 2.85Å; A85-F91 WeakPolarHBondContact O-CB 3.4Å; A85-F91 WeakPolarHBondContact O-CG 3.26Å |
| 86 | L | 85.3 | Confident | 77.8 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -89.8 | -14.8 | 179.1 | -58.6 | -176.1 | 0 | 0 | 0 | 112.9 | V49 V51 F54 M83 P84 F91 | V49-L86 HydrophobicContact CG1-CD2 4.3Å; V51-L86 HydrophobicContact CG2-CD1 4.39Å; F54-L86 HydrophobicContact CB-CD1 4.41Å; M83-L86 HydrophobicContact CB-CB 4.37Å; M83-L86 HydrophobicContact CB-CD1 4.17Å; M83-L86 HydrophobicContact CB-CG 4.01Å; M83-L86 HydrophobicContact CE-CD1 4.25Å; M83-L86 HydrophobicContact CE-CD2 4.44Å; M83-L86 HydrophobicContact CE-CG 4Å; M83-L86 PolarHBondContact O-N 3.13Å; M83-L86 HydrophobicContact SD-CD1 3.68Å; M83-L86 HydrophobicContact SD-CG 4.04Å; P84-L86 PolarHBondContact O-N 3.38Å; L86-F91 HydrophobicContact CB-CD1 4.49Å; L86-F91 HydrophobicContact CB-CE1 4.31Å; L86-F91 HydrophobicContact CD2-CD1 4.4Å; L86-F91 HydrophobicContact CD2-CD2 4.36Å; L86-F91 HydrophobicContact CD2-CE1 3.81Å; L86-F91 HydrophobicContact CD2-CE2 3.78Å; L86-F91 HydrophobicContact CD2-CZ 3.47Å; L86-F91 VanDerWaalsContact CD2-CZ 3.47Å; L86-F91 VanDerWaalsContact O-CD1 3.26Å; L86-F91 WeakPolarHBondContact O-CD1 3.33Å |
| 87 | N | 84.7 | Confident | 78.9 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -107.3 | 19.2 | -177 | -78.3 | -21.8 | 0 | 0 | 0 | 113.4 | P84 | P84-N87 CarbonylContact O-C 3.48Å; P84-N87 PolarHBondContact O-N 3.29Å |
| 88 | N | 86.8 | Confident | 80.3 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -98 | 159.5 | 177.6 | 81.3 | 54.8 | 0 | 0 | 0 | 112.9 | P84 A85 Y90 F91 S92 | P84-N88 PolarHBondContact O-N 2.85Å; A85-N88 PolarHBondContact O-ND2 2.85Å; N88-Y90 PolarHBondContact O-N 2.91Å; N88-Y90 WeakPolarHBondContact OD1-CA 3.32Å; N88-Y90 WeakPolarHBondContact OD1-CB 3.41Å; N88-Y90 PolarHBondContact OD1-N 3.1Å; N88-F91 PolarHBondContact O-N 3.44Å; N88-F91 WeakPolarHBondContact OD1-CB 3.31Å; N88-F91 PolarHBondContact OD1-N 3.39Å; N88-S92 WeakPolarHBondContact O-CB 3.39Å; N88-S92 PolarHBondContact O-N 3.45Å; N88-S92 PolarHBondContact O-OG 3.48Å |
| 89 | E | 89.9 | Confident | 81.5 | Confident | 165 Ų | 165 | 69.2 Ų | 69.2 | 77% | 0.771 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.7 | -37.4 | -178.4 | -65.6 | -173.4 | 162.4 | 0 | 0 | 112.6 | S92 Y93 | E89-S92 WeakPolarHBondContact O-CB 3.45Å; E89-S92 PolarHBondContact O-N 3.24Å; E89-Y93 WeakPolarHBondContact O-CB 3.43Å; E89-Y93 PolarHBondContact O-N 3.44Å |
| 90 | Y | 91 | Very high | 82.6 | Confident | 178 Ų | 178 | 70.7 Ų | 70.7 | 70% | 0.698 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.1 | -41.9 | 179.3 | -58.5 | -75.9 | 0 | 0 | 0 | 112.4 | N88 S92 Y93 A94 | N88-Y90 PolarHBondContact O-N 2.91Å; N88-Y90 WeakPolarHBondContact OD1-CA 3.32Å; N88-Y90 WeakPolarHBondContact OD1-CB 3.41Å; N88-Y90 PolarHBondContact OD1-N 3.1Å; Y90-S92 VanDerWaalsContact C-N 3.35Å; Y90-Y93 PolarHBondContact O-N 3.41Å; Y90-A94 WeakPolarHBondContact O-CB 3.44Å; Y90-A94 PolarHBondContact O-N 2.98Å |
| 91 | F | 90.5 | Very high | 83.6 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.5 | -176.3 | -97.4 | 0 | 0 | 0 | 110.2 | V49 A85 L86 N88 Y93 A94 C95 | V49-F91 HydrophobicContact CB-CE1 4.44Å; V49-F91 HydrophobicContact CB-CZ 4.21Å; V49-F91 HydrophobicContact CG1-CE1 4.32Å; V49-F91 HydrophobicContact CG1-CZ 3.77Å; A85-F91 WeakPolarHBondContact O-CB 3.4Å; A85-F91 WeakPolarHBondContact O-CG 3.26Å; L86-F91 HydrophobicContact CB-CD1 4.49Å; L86-F91 HydrophobicContact CB-CE1 4.31Å; L86-F91 HydrophobicContact CD2-CD1 4.4Å; L86-F91 HydrophobicContact CD2-CD2 4.36Å; L86-F91 HydrophobicContact CD2-CE1 3.81Å; L86-F91 HydrophobicContact CD2-CE2 3.78Å; L86-F91 HydrophobicContact CD2-CZ 3.47Å; L86-F91 VanDerWaalsContact CD2-CZ 3.47Å; L86-F91 VanDerWaalsContact O-CD1 3.26Å; L86-F91 WeakPolarHBondContact O-CD1 3.33Å; N88-F91 PolarHBondContact O-N 3.44Å; N88-F91 WeakPolarHBondContact OD1-CB 3.31Å; N88-F91 PolarHBondContact OD1-N 3.39Å; F91-Y93 VanDerWaalsContact C-N 3.31Å; F91-Y93 PolarHBondContact O-N 2.85Å; F91-A94 WeakPolarHBondContact O-CB 3.32Å; F91-A94 PolarHBondContact O-N 2.68Å; F91-C95 VanDerWaalsContact CE1-SG 3.52Å; F91-C95 PolarHBondContact O-N 3.45Å; F91-C95 PolarHBondContact O-SG 2.94Å; F91-C95 VanDerWaalsContact O-SG 3.37Å |
| 92 | S | 90.9 | Very high | 84.4 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 174.1 | -54 | 0 | 0 | 0 | 0 | 111.7 | K46 N88 E89 Y90 C95 V96 | K46-S92 VanDerWaalsContact CE-OG 3.26Å; K46-S92 WeakPolarHBondContact CE-OG 3.33Å; K46-S92 PolarHBondContact NZ-OG 2.9Å; N88-S92 WeakPolarHBondContact O-CB 3.39Å; N88-S92 PolarHBondContact O-N 3.45Å; N88-S92 PolarHBondContact O-OG 3.48Å; E89-S92 WeakPolarHBondContact O-CB 3.45Å; E89-S92 PolarHBondContact O-N 3.24Å; Y90-S92 VanDerWaalsContact C-N 3.35Å; S92-C95 WeakPolarHBondContact O-CB 3.43Å; S92-C95 PolarHBondContact O-N 2.99Å; S92-V96 PolarHBondContact O-N 2.85Å |
| 93 | Y | 91.6 | Very high | 85.1 | Confident | 116 Ų | 116 | 62.1 Ų | 62.1 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.8 | -179.4 | -102.3 | 0 | 0 | 0 | 112 | E89 Y90 F91 C95 V96 Q97 | E89-Y93 WeakPolarHBondContact O-CB 3.43Å; E89-Y93 PolarHBondContact O-N 3.44Å; Y90-Y93 PolarHBondContact O-N 3.41Å; F91-Y93 VanDerWaalsContact C-N 3.31Å; F91-Y93 PolarHBondContact O-N 2.85Å; Y93-C95 VanDerWaalsContact C-N 3.3Å; Y93-C95 PolarHBondContact O-N 3.07Å; Y93-V96 PolarHBondContact O-N 3.32Å; Y93-V96 VanDerWaalsContact O-N 3.11Å; Y93-Q97 HydrophobicContact CD1-CG 4.06Å; Y93-Q97 HydrophobicContact CE1-CG 3.67Å; Y93-Q97 HydrophobicContact CE2-CG 4.44Å; Y93-Q97 VanDerWaalsContact CZ-NE2 3.34Å; Y93-Q97 WeakPolarHBondContact O-CG 3.49Å; Y93-Q97 PolarHBondContact O-N 2.92Å; Y93-Q97 PolarHBondContact OH-NE2 3.33Å |
| 94 | A | 89.6 | Confident | 85 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y90 F91 V96 Q97 F98 | Y90-A94 WeakPolarHBondContact O-CB 3.44Å; Y90-A94 PolarHBondContact O-N 2.98Å; F91-A94 WeakPolarHBondContact O-CB 3.32Å; F91-A94 PolarHBondContact O-N 2.68Å; A94-V96 VanDerWaalsContact C-N 3.35Å; A94-V96 PolarHBondContact O-N 3.49Å; A94-Q97 PolarHBondContact O-N 3.49Å; A94-F98 VanDerWaalsContact O-CB 3.25Å; A94-F98 WeakPolarHBondContact O-CB 3.25Å; A94-F98 PolarHBondContact O-N 3.32Å |
| 95 | C | 90.3 | Very high | 84.6 | Confident | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 173.7 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | V45 K46 F91 S92 Y93 S99 | V45-C95 HydrophobicContact CB-CB 4.15Å; V45-C95 HydrophobicContact CG1-CB 4.22Å; K46-C95 HydrophobicContact CB-CB 3.94Å; F91-C95 VanDerWaalsContact CE1-SG 3.52Å; F91-C95 PolarHBondContact O-N 3.45Å; F91-C95 PolarHBondContact O-SG 2.94Å; F91-C95 VanDerWaalsContact O-SG 3.37Å; S92-C95 WeakPolarHBondContact O-CB 3.43Å; S92-C95 PolarHBondContact O-N 2.99Å; Y93-C95 VanDerWaalsContact C-N 3.3Å; Y93-C95 PolarHBondContact O-N 3.07Å; C95-S99 WeakPolarHBondContact O-CB 3.36Å; C95-S99 PolarHBondContact O-N 3.29Å |
| 96 | V | 88.3 | Confident | 83.7 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.5 | -51.1 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | S92 Y93 A94 F98 S99 D100 | S92-V96 PolarHBondContact O-N 2.85Å; Y93-V96 PolarHBondContact O-N 3.32Å; Y93-V96 VanDerWaalsContact O-N 3.11Å; A94-V96 VanDerWaalsContact C-N 3.35Å; A94-V96 PolarHBondContact O-N 3.49Å; V96-F98 VanDerWaalsContact C-N 3.29Å; V96-F98 PolarHBondContact O-N 3.4Å; V96-S99 WeakPolarHBondContact O-CA 3.4Å; V96-S99 WeakPolarHBondContact O-CB 3.37Å; V96-S99 PolarHBondContact O-N 3.24Å; V96-D100 PolarHBondContact O-N 3.36Å |
| 97 | Q | 86.4 | Confident | 82.7 | Confident | 35 Ų | 35 | 76.7 Ų | 76.7 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -53.1 | -46.8 | 174.9 | -77.2 | -93.4 | 26.7 | 0 | 0 | 111.9 | G13 C15 Y93 A94 S99 D100 C101 | G13-Q97 PolarHBondContact O-NE2 3.4Å; C15-Q97 PolarHBondContact SG-OE1 2.88Å; C15-Q97 VanDerWaalsContact SG-OE1 3.38Å; Y93-Q97 HydrophobicContact CD1-CG 4.06Å; Y93-Q97 HydrophobicContact CE1-CG 3.67Å; Y93-Q97 HydrophobicContact CE2-CG 4.44Å; Y93-Q97 VanDerWaalsContact CZ-NE2 3.34Å; Y93-Q97 WeakPolarHBondContact O-CG 3.49Å; Y93-Q97 PolarHBondContact O-N 2.92Å; Y93-Q97 PolarHBondContact OH-NE2 3.33Å; A94-Q97 PolarHBondContact O-N 3.49Å; Q97-S99 PolarHBondContact O-N 3.2Å; Q97-D100 PolarHBondContact O-N 3.11Å; Q97-C101 WeakPolarHBondContact O-CB 3.38Å; Q97-C101 PolarHBondContact O-N 3.39Å |
| 98 | F | 85.1 | Confident | 81.5 | Confident | 99 Ų | 99 | 73.2 Ų | 73.2 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 178.2 | -175.2 | -109.2 | 0 | 0 | 0 | 111.8 | V45 A94 V96 D100 C101 L102 | V45-F98 HydrophobicContact CG1-CD1 4.09Å; V45-F98 HydrophobicContact CG2-CD1 4.07Å; A94-F98 VanDerWaalsContact O-CB 3.25Å; A94-F98 WeakPolarHBondContact O-CB 3.25Å; A94-F98 PolarHBondContact O-N 3.32Å; V96-F98 VanDerWaalsContact C-N 3.29Å; V96-F98 PolarHBondContact O-N 3.4Å; F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 2.95Å; F98-C101 PolarHBondContact O-N 3.3Å; F98-L102 HydrophobicContact CD1-CD1 3.83Å; F98-L102 HydrophobicContact CD1-CG 4.25Å; F98-L102 HydrophobicContact CE1-CD1 3.43Å; F98-L102 VanDerWaalsContact CE1-CD1 3.43Å; F98-L102 HydrophobicContact CE1-CD2 4.41Å; F98-L102 HydrophobicContact CE1-CG 3.94Å; F98-L102 HydrophobicContact CE2-CG 4.47Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.11Å; F98-L102 HydrophobicContact CZ-CG 4.05Å; F98-L102 WeakPolarHBondContact O-CB 3.44Å; F98-L102 WeakPolarHBondContact O-CG 3.36Å; F98-L102 PolarHBondContact O-N 3.3Å |
| 99 | S | 84.4 | Confident | 80.6 | Confident | 14 Ų | 14 | 77.8 Ų | 77.8 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 174.2 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | C95 V96 Q97 L102 K103 | C95-S99 WeakPolarHBondContact O-CB 3.36Å; C95-S99 PolarHBondContact O-N 3.29Å; V96-S99 WeakPolarHBondContact O-CA 3.4Å; V96-S99 WeakPolarHBondContact O-CB 3.37Å; V96-S99 PolarHBondContact O-N 3.24Å; Q97-S99 PolarHBondContact O-N 3.2Å; S99-L102 WeakPolarHBondContact O-CB 3.47Å; S99-L102 PolarHBondContact O-N 3.15Å; S99-K103 WeakPolarHBondContact O-CG 3.47Å; S99-K103 PolarHBondContact O-N 3.46Å |
| 100 | D | 82.7 | Confident | 79.4 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 33% | 0.326 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.7 | -40.9 | 179.2 | -68 | -21.3 | 0 | 0 | 0 | 112.1 | V96 Q97 F98 L102 K103 N104 | V96-D100 PolarHBondContact O-N 3.36Å; Q97-D100 PolarHBondContact O-N 3.11Å; F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 2.95Å; D100-L102 VanDerWaalsContact C-N 3.26Å; D100-L102 PolarHBondContact O-N 2.7Å; D100-K103 PolarHBondContact O-N 2.94Å; D100-K103 IonicContact OD1-NZ 2.82Å; D100-K103 PolarHBondContact OD1-NZ 2.84Å; D100-N104 WeakPolarHBondContact O-CB 3.26Å; D100-N104 PolarHBondContact O-N 2.95Å; D100-N104 PolarHBondContact O-ND2 2.7Å |
| 101 | C | 79.3 | Confident | 78 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62 | -34.5 | 172.7 | -100.2 | 0 | 0 | 0 | 0 | 111.3 | C15 Q97 F98 A105 | C15-C101 WeakPolarHBondContact CB-SG 3.42Å; C15-C101 WeakPolarHBondContact SG-CB 3.1Å; C15-C101 CovalentContact SG-SG 2.09Å; C15-C101 PolarHBondContact SG-SG 2.9Å; Q97-C101 WeakPolarHBondContact O-CB 3.38Å; Q97-C101 PolarHBondContact O-N 3.39Å; F98-C101 PolarHBondContact O-N 3.3Å; C101-A105 PolarHBondContact O-N 2.92Å; C101-A105 VanDerWaalsContact O-N 3.13Å |
| 102 | L | 77.3 | Confident | 76.9 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.7 | -44.4 | 171.5 | -77 | 179.3 | 0 | 0 | 0 | 113 | T33 L36 V37 V40 F98 S99 D100 N104 A105 | T33-L102 HydrophobicContact CG2-CD2 4.42Å; L36-L102 HydrophobicContact CB-CD2 4.2Å; V37-L102 HydrophobicContact CG2-CB 4.09Å; V37-L102 HydrophobicContact CG2-CD2 3.98Å; V37-L102 WeakPolarHBondContact CG2-O 3.31Å; V40-L102 HydrophobicContact CB-CD1 4.38Å; V40-L102 HydrophobicContact CG2-CD1 3.93Å; F98-L102 HydrophobicContact CD1-CD1 3.83Å; F98-L102 HydrophobicContact CD1-CG 4.25Å; F98-L102 HydrophobicContact CE1-CD1 3.43Å; F98-L102 VanDerWaalsContact CE1-CD1 3.43Å; F98-L102 HydrophobicContact CE1-CD2 4.41Å; F98-L102 HydrophobicContact CE1-CG 3.94Å; F98-L102 HydrophobicContact CE2-CG 4.47Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.11Å; F98-L102 HydrophobicContact CZ-CG 4.05Å; F98-L102 WeakPolarHBondContact O-CB 3.44Å; F98-L102 WeakPolarHBondContact O-CG 3.36Å; F98-L102 PolarHBondContact O-N 3.3Å; S99-L102 WeakPolarHBondContact O-CB 3.47Å; S99-L102 PolarHBondContact O-N 3.15Å; D100-L102 VanDerWaalsContact C-N 3.26Å; D100-L102 PolarHBondContact O-N 2.7Å; L102-N104 VanDerWaalsContact C-N 3.26Å; L102-N104 PolarHBondContact O-N 2.94Å; L102-A105 VanDerWaalsContact O-CB 3.26Å; L102-A105 WeakPolarHBondContact O-CB 3.48Å; L102-A105 PolarHBondContact O-N 2.74Å; L102-A105 VanDerWaalsContact O-N 3.13Å |
| 103 | K | 74.8 | Confident | 75.8 | Confident | 139 Ų | 139 | 80.2 Ų | 80.2 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.2 | -37.2 | 177 | -70 | 168.3 | -161.6 | 157.7 | 0 | 111.9 | S99 D100 A105 | S99-K103 WeakPolarHBondContact O-CG 3.47Å; S99-K103 PolarHBondContact O-N 3.46Å; D100-K103 PolarHBondContact O-N 2.94Å; D100-K103 IonicContact OD1-NZ 2.82Å; D100-K103 PolarHBondContact OD1-NZ 2.84Å; K103-A105 VanDerWaalsContact C-N 3.31Å |
| 104 | N | 74.2 | Confident | 74.4 | Confident | 135 Ų | 135 | 76.9 Ų | 76.9 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -9.1 | 179 | -67.9 | -42.1 | 0 | 0 | 0 | 113.3 | D100 L102 K106 | D100-N104 WeakPolarHBondContact O-CB 3.26Å; D100-N104 PolarHBondContact O-N 2.95Å; D100-N104 PolarHBondContact O-ND2 2.7Å; L102-N104 VanDerWaalsContact C-N 3.26Å; L102-N104 PolarHBondContact O-N 2.94Å; N104-K106 PolarHBondContact O-N 2.81Å |
| 105 | A | 70.5 | Confident | 73.2 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 20% | 0.198 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -65.1 | 131.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | T33 C101 L102 K103 V107 | T33-A105 HydrophobicContact CG2-CB 3.68Å; C101-A105 PolarHBondContact O-N 2.92Å; C101-A105 VanDerWaalsContact O-N 3.13Å; L102-A105 VanDerWaalsContact O-CB 3.26Å; L102-A105 WeakPolarHBondContact O-CB 3.48Å; L102-A105 PolarHBondContact O-N 2.74Å; L102-A105 VanDerWaalsContact O-N 3.13Å; K103-A105 VanDerWaalsContact C-N 3.31Å; A105-V107 VanDerWaalsContact C-N 3.26Å; A105-V107 PolarHBondContact O-N 3.26Å |
| 106 | K | 65.1 | Low | 72.2 | Confident | 205 Ų | 205 | 84.3 Ų | 84.3 | 89% | 0.891 | 41% | 0.407 | S | S | * | . | trans | -71 | 82.9 | 172.7 | -78.7 | -175.3 | 178.8 | -179.7 | 0 | 110.2 | N104 | N104-K106 PolarHBondContact O-N 2.81Š| ||
| 107 | V | 63.2 | Low | 71.2 | Confident | 14 Ų | 14 | 83.1 Ų | 83.1 | 9% | 0.085 | 41% | 0.406 | C | S | . | . | trans | -71.8 | 130.4 | 175 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | A34 V37 A105 Q109 L111 K112 | A34-V107 HydrophobicContact CB-CG1 3.61Å; V37-V107 HydrophobicContact CB-CG2 3.87Å; V37-V107 HydrophobicContact CG1-CG2 3.97Å; V37-V107 HydrophobicContact CG2-CG2 3.64Å; A105-V107 VanDerWaalsContact C-N 3.26Å; A105-V107 PolarHBondContact O-N 3.26Å; V107-Q109 PolarHBondContact O-N 2.81Å; V107-L111 HydrophobicContact CG1-CB 4.11Å; V107-K112 HydrophobicContact CB-CD 4.45Å; V107-K112 HydrophobicContact CB-CG 3.9Å; V107-K112 HydrophobicContact CG1-CG 3.76Å; V107-K112 VanDerWaalsContact O-CE 3.24Å; V107-K112 WeakPolarHBondContact O-CE 3.27Å | ||
| 108 | P | 60.2 | Low | 70 | Confident | 36 Ų | 36 | 86.5 Ų | 86.5 | 23% | 0.234 | 42% | 0.424 | C | S | . | . | trans | -53.8 | 136.1 | 172.9 | -26.1 | 35.2 | 0 | 0 | 0 | 112.4 | K30 H110 L111 K112 | K30-P108 HydrophobicContact CB-CG 4.48Å; P108-H110 VanDerWaalsContact C-N 3.3Å; P108-H110 WeakPolarHBondContact CB-CE1 3.24Å; P108-H110 PolarHBondContact O-N 3Å; P108-L111 PolarHBondContact O-N 3.11Å; P108-K112 PolarHBondContact O-N 3.47Å; P108-K112 VanDerWaalsContact O-N 3.15Å | ||
| 109 | Q | 68 | Low | 68.9 | Low | 139 Ų | 139 | 85.3 Ų | 85.3 | 65% | 0.65 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.9 | -32.8 | -168.6 | -170.5 | 165.9 | -9.6 | 0 | 0 | 114.5 | V107 L111 K112 R113 | V107-Q109 PolarHBondContact O-N 2.81Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 3.38Å; Q109-K112 WeakPolarHBondContact O-CB 3.41Å; Q109-K112 PolarHBondContact O-N 3.19Å; Q109-R113 PolarHBondContact O-N 2.99Å |
| 110 | H | 63.9 | Low | 68 | Low | 129 Ų | 129 | 87.9 Ų | 87.9 | 60% | 0.597 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.7 | -36.2 | 175.9 | 62.6 | -84 | 0 | 0 | 0 | 112.1 | P108 R113 A114 | P108-H110 VanDerWaalsContact C-N 3.3Å; P108-H110 WeakPolarHBondContact CB-CE1 3.24Å; P108-H110 PolarHBondContact O-N 3Å; H110-R113 PolarHBondContact O-N 3.42Å; H110-A114 PolarHBondContact O-N 3.13Å |
| 111 | L | 62.6 | Low | 66.9 | Low | 44 Ų | 44 | 92.7 Ų | 92.7 | 23% | 0.23 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -77 | -32.6 | 175.9 | -71.2 | 160.9 | 0 | 0 | 0 | 111.8 | A34 V107 P108 Q109 R113 A114 T115 | A34-L111 HydrophobicContact CB-CB 3.81Å; A34-L111 HydrophobicContact CB-CD1 3.24Å; A34-L111 HydrophobicContact CB-CG 4.04Å; V107-L111 HydrophobicContact CG1-CB 4.11Å; P108-L111 PolarHBondContact O-N 3.11Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 3.38Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 2.97Å; L111-A114 PolarHBondContact O-N 2.97Å; L111-T115 VanDerWaalsContact O-CB 3.32Å; L111-T115 WeakPolarHBondContact O-CB 3.41Å; L111-T115 PolarHBondContact O-N 3.37Å; L111-T115 PolarHBondContact O-OG1 3.23Å |
| 112 | K | 65.7 | Low | 65.6 | Low | 108 Ų | 108 | 99.2 Ų | 99.2 | 47% | 0.47 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 168.4 | -67.7 | -174 | 175.3 | -179.3 | 0 | 111.6 | V107 P108 Q109 R116 | V107-K112 HydrophobicContact CB-CD 4.45Å; V107-K112 HydrophobicContact CB-CG 3.9Å; V107-K112 HydrophobicContact CG1-CG 3.76Å; V107-K112 VanDerWaalsContact O-CE 3.24Å; V107-K112 WeakPolarHBondContact O-CE 3.27Å; P108-K112 PolarHBondContact O-N 3.47Å; P108-K112 VanDerWaalsContact O-N 3.15Å; Q109-K112 WeakPolarHBondContact O-CB 3.41Å; Q109-K112 PolarHBondContact O-N 3.19Å; K112-R116 WeakPolarHBondContact O-CG 3.5Å; K112-R116 PolarHBondContact O-N 2.99Å |
| 113 | R | 68.4 | Low | 64.2 | Low | 178 Ų | 178 | 103.3 Ų | 103.3 | 67% | 0.672 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -48.4 | 175.9 | -77.8 | -175.7 | 176 | 175.1 | -0.4 | 111.9 | Q109 H110 L111 T115 R116 A117 | Q109-R113 PolarHBondContact O-N 2.99Å; H110-R113 PolarHBondContact O-N 3.42Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 2.97Å; R113-T115 VanDerWaalsContact C-N 3.3Å; R113-T115 PolarHBondContact O-N 2.94Å; R113-R116 PolarHBondContact O-N 2.92Å; R113-A117 PolarHBondContact O-N 3.29Å |
| 114 | A | 62.8 | Low | 62.6 | Low | 45 Ų | 45 | 101 Ų | 101 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H110 L111 A117 L118 | H110-A114 PolarHBondContact O-N 3.13Å; L111-A114 PolarHBondContact O-N 2.97Å; A114-A117 PolarHBondContact O-N 2.82Å; A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 2.92Å |
| 115 | T | 64 | Low | 61.3 | Low | 16 Ų | 16 | 104.2 Ų | 104.2 | 10% | 0.098 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 174.7 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | A38 L111 R113 A117 L118 L119 | A38-T115 HydrophobicContact CB-CG2 3.93Å; A38-T115 WeakPolarHBondContact CB-OG1 3.34Å; L111-T115 VanDerWaalsContact O-CB 3.32Å; L111-T115 WeakPolarHBondContact O-CB 3.41Å; L111-T115 PolarHBondContact O-N 3.37Å; L111-T115 PolarHBondContact O-OG1 3.23Å; R113-T115 VanDerWaalsContact C-N 3.3Å; R113-T115 PolarHBondContact O-N 2.94Å; T115-A117 VanDerWaalsContact C-N 3.31Å; T115-A117 PolarHBondContact O-N 2.9Å; T115-L118 PolarHBondContact O-N 3.37Å; T115-L119 HydrophobicContact CG2-CD1 3.93Å; T115-L119 HydrophobicContact CG2-CG 4.38Å; T115-L119 WeakPolarHBondContact O-CB 3.44Å; T115-L119 WeakPolarHBondContact O-CG 3.29Å; T115-L119 PolarHBondContact O-N 3.19Å |
| 116 | R | 68.7 | Low | 59.9 | Low | 197 Ų | 197 | 107 Ų | 107 | 74% | 0.743 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.4 | -41.5 | 177.7 | -80.9 | -178.4 | 171.3 | -177.3 | -3.1 | 112 | K112 R113 L119 A120 | K112-R116 WeakPolarHBondContact O-CG 3.5Å; K112-R116 PolarHBondContact O-N 2.99Å; R113-R116 PolarHBondContact O-N 2.92Å; R116-L119 PolarHBondContact O-N 3.21Å; R116-A120 VanDerWaalsContact O-CB 3.29Å; R116-A120 WeakPolarHBondContact O-CB 3.5Å; R116-A120 PolarHBondContact O-N 3.43Å |
| 117 | A | 68 | Low | 58.9 | Low | 59 Ų | 59 | 105.7 Ų | 105.7 | 49% | 0.488 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R113 A114 T115 L119 A120 E121 | R113-A117 PolarHBondContact O-N 3.29Å; A114-A117 PolarHBondContact O-N 2.82Å; T115-A117 VanDerWaalsContact C-N 3.31Å; T115-A117 PolarHBondContact O-N 2.9Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 PolarHBondContact O-N 3.33Å; A117-A120 PolarHBondContact O-N 2.93Å; A117-E121 PolarHBondContact O-N 2.98Å |
| 118 | L | 61.3 | Low | 58 | Low | 105 Ų | 105 | 110.6 Ų | 110.6 | 55% | 0.55 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.4 | -37.2 | 177.6 | -72.5 | 171 | 0 | 0 | 0 | 113.1 | A114 T115 R122 | A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 2.92Å; T115-L118 PolarHBondContact O-N 3.37Å; L118-R122 PolarHBondContact O-N 3.43Å |
| 119 | L | 61 | Low | 57.1 | Low | 75 Ų | 75 | 118.7 Ų | 118.7 | 39% | 0.393 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.1 | -37.4 | 176.3 | -69.9 | 174.5 | 0 | 0 | 0 | 112.2 | T115 R116 A117 E121 R122 | T115-L119 HydrophobicContact CG2-CD1 3.93Å; T115-L119 HydrophobicContact CG2-CG 4.38Å; T115-L119 WeakPolarHBondContact O-CB 3.44Å; T115-L119 WeakPolarHBondContact O-CG 3.29Å; T115-L119 PolarHBondContact O-N 3.19Å; R116-L119 PolarHBondContact O-N 3.21Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 PolarHBondContact O-N 3.33Å; L119-E121 VanDerWaalsContact C-N 3.3Å; L119-R122 PolarHBondContact O-N 3.24Å |
| 120 | A | 66.7 | Low | 55.9 | Low | 67 Ų | 67 | 121.9 Ų | 121.9 | 55% | 0.554 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.2 | -35.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | R116 A117 R122 V123 | R116-A120 VanDerWaalsContact O-CB 3.29Å; R116-A120 WeakPolarHBondContact O-CB 3.5Å; R116-A120 PolarHBondContact O-N 3.43Å; A117-A120 PolarHBondContact O-N 2.93Å; A120-R122 VanDerWaalsContact C-N 3.25Å; A120-R122 PolarHBondContact O-N 3.33Å; A120-V123 PolarHBondContact O-N 3.38Å |
| 121 | E | 59.8 | Low | 55.3 | Low | 163 Ų | 163 | 125.6 Ų | 125.6 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.1 | -25 | 175.8 | -129.9 | 177.5 | -178.5 | 0 | 0 | 113.2 | A117 L119 | A117-E121 PolarHBondContact O-N 2.98Å; L119-E121 VanDerWaalsContact C-N 3.3Å |
| 122 | R | 52 | Low | 55 | Low | 193 Ų | 193 | 129.7 Ų | 129.7 | 73% | 0.728 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -3.3 | 178.1 | -71.2 | -157.9 | -173.6 | -159.8 | 6.5 | 114.5 | L118 L119 A120 P124 | L118-R122 PolarHBondContact O-N 3.43Å; L119-R122 PolarHBondContact O-N 3.24Å; A120-R122 VanDerWaalsContact C-N 3.25Å; A120-R122 PolarHBondContact O-N 3.33Å; R122-P124 WeakPolarHBondContact O-CD 3.4Å |
| 123 | V | 47.2 | Very low | 54.4 | Low | 98 Ų | 98 | 130.8 Ų | 130.8 | 59% | 0.594 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -72.2 | 115.6 | 164.6 | -178.6 | 0 | 0 | 0 | 0 | 105.9 | A120 Q125 | A120-V123 PolarHBondContact O-N 3.38Å; V123-Q125 PolarHBondContact O-N 3.15Å; V123-Q125 VanDerWaalsContact O-N 3.15Å |
| 124 | P | 42.4 | Very low | 53.6 | Low | 92 Ų | 92 | 128.2 Ų | 128.2 | 60% | 0.597 | 68% | 0.678 | S | S | * | * | trans | -58.6 | 128.9 | -179.2 | 25.4 | -32.5 | 0 | 0 | 0 | 108 | R122 S126 | R122-P124 WeakPolarHBondContact O-CD 3.4Å; P124-S126 WeakPolarHBondContact CB-OG 3.46Å; P124-S126 PolarHBondContact O-N 2.77Å | ||
| 125 | Q | 46.7 | Very low | 53.1 | Low | 202 Ų | 202 | 133.1 Ų | 133.1 | 94% | 0.944 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -63.6 | 26.1 | 167.4 | -69.7 | -174.9 | -8.9 | 0 | 0 | 112.4 | V123 L127 | V123-Q125 PolarHBondContact O-N 3.15Å; V123-Q125 VanDerWaalsContact O-N 3.15Å; Q125-L127 PolarHBondContact O-N 3.37Å |
| 126 | S | 40.3 | Very low | 52.4 | Low | 82 Ų | 82 | 140.4 Ų | 140.4 | 57% | 0.573 | 73% | 0.733 | S | S | * | * | trans | -88.6 | 83.7 | 164.4 | 59.1 | 0 | 0 | 0 | 0 | 107.4 | P124 | P124-S126 WeakPolarHBondContact CB-OG 3.46Å; P124-S126 PolarHBondContact O-N 2.77Å | ||
| 127 | L | 44.8 | Very low | 51.3 | Low | 178 Ų | 178 | 136.6 Ų | 136.6 | 93% | 0.932 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 168 | 51.5 | 154.4 | -88.4 | 167.6 | 0 | 0 | 0 | 110.5 | Q125 | Q125-L127 PolarHBondContact O-N 3.37Š|
| 128 | S | 42.7 | Very low | 50.1 | Low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -158 | 68.7 | 154.9 | -144.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 129 | K | 42.3 | Very low | 49.3 | Very low | 207 Ų | 207 | 145 Ų | 145 | 90% | 0.9 | 77% | 0.765 | S | S | * | * | trans | -120.6 | 84.3 | 149.2 | -84.1 | -176.1 | 177.4 | 179.4 | 0 | 106.2 | ||||
| 130 | K | 43.4 | Very low | 48.3 | Very low | 206 Ų | 206 | 150.8 Ų | 150.8 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -119.3 | 88.7 | 154.1 | -104 | -175.3 | 173.7 | -174.3 | 0 | 105.7 | ||||
| 131 | T | 51.2 | Low | 46.6 | Very low | 206 Ų | 206 | 158.5 Ų | 158.5 | 100% | 1.264 | 82% | 0.818 | S | S | * | * | trans | -64.4 | 0 | 150.4 | -42.4 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 131 of 131 residues in 163.9 ms
(Link to these results)