| 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 | 35.3 | Very low | 29.9 | Very low | 253 Ų | 253 | 121.8 Ų | 121.8 | 100% | 1.246 | 85% | 0.845 | S | S | * | * | 0 | 131.8 | 0 | -87.6 | -179 | 166.3 | 0 | 0 | 107.8 | |||||
| 2 | G | 33.2 | Very low | 29.8 | Very low | 84 Ų | 84 | 125.8 Ų | 125.8 | 87% | 0.866 | 85% | 0.849 | S | S | * | * | trans | 102.1 | 107.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3 | D | 27.9 | Very low | 29.6 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | -84.2 | 168.8 | -172.5 | -145.5 | -35.9 | 0 | 0 | 0 | 114.2 | ||||
| 4 | S | 30.3 | Very low | 29.5 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 63% | 0.629 | 84% | 0.84 | S | S | * | * | trans | 92.9 | 104 | 138.9 | -63.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 5 | S | 30.6 | Very low | 29.6 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | 59.7 | 124.3 | 119.8 | 67.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 6 | A | 29.7 | Very low | 29.6 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | -165.8 | 142.1 | 126.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 7 | A | 29.2 | Very low | 29.9 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -67 | 139.2 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 8 | S | 29.7 | Very low | 30 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -93.1 | 104.5 | 159.4 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | T10 | S8-T10 PolarHBondContact O-N 3.47Š| ||
| 9 | G | 27.7 | Very low | 30.4 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -68.7 | 109 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 10 | T | 29.3 | Very low | 31 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -101.8 | 112.7 | 173.1 | -41.9 | 0 | 0 | 0 | 0 | 107.6 | S8 L12 | S8-T10 PolarHBondContact O-N 3.47Å; T10-L12 PolarHBondContact O-N 2.78Å | ||
| 11 | S | 26.5 | Very low | 31.8 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -61.6 | 115.2 | 179.8 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | N13 | S11-N13 PolarHBondContact O-N 3.04Š| ||
| 12 | L | 28.3 | Very low | 32.3 | Very low | 170 Ų | 170 | 118.9 Ų | 118.9 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -72.2 | 115 | 170.8 | -77.7 | 152.8 | 0 | 0 | 0 | 109.1 | T10 S14 | T10-L12 PolarHBondContact O-N 2.78Å; L12-S14 PolarHBondContact O-N 3.07Å | ||
| 13 | N | 27.8 | Very low | 33.6 | Very low | 144 Ų | 144 | 117 Ų | 117 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -69.1 | 94.5 | 172.2 | -169.4 | 33.5 | 0 | 0 | 0 | 109.5 | S11 S15 | S11-N13 PolarHBondContact O-N 3.04Å; N13-S15 VanDerWaalsContact C-N 3.32Å; N13-S15 PolarHBondContact O-N 2.89Å | ||
| 14 | S | 27.3 | Very low | 35.7 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -76 | 81.2 | 174.1 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | L12 G16 | L12-S14 PolarHBondContact O-N 3.07Å; S14-G16 PolarHBondContact O-N 3.37Å | ||
| 15 | S | 32 | Very low | 37.6 | Very low | 100 Ų | 100 | 111.4 Ų | 111.4 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -78.4 | 67.4 | 165.2 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | N13 R17 | N13-S15 VanDerWaalsContact C-N 3.32Å; N13-S15 PolarHBondContact O-N 2.89Å; S15-R17 PolarHBondContact O-N 2.85Å | ||
| 16 | G | 28.6 | Very low | 39.5 | Very low | 71 Ų | 71 | 108.5 Ų | 108.5 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | trans | -75.1 | 99.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S14 G18 | S14-G16 PolarHBondContact O-N 3.37Å; G16-G18 PolarHBondContact O-N 3.02Å | ||
| 17 | R | 35.8 | Very low | 41.6 | Very low | 253 Ų | 253 | 108.3 Ų | 108.3 | 96% | 0.955 | 71% | 0.711 | S | S | * | * | trans | -70.6 | 81.1 | 158.6 | -90.3 | -179 | 169 | 175.1 | -3.3 | 107.5 | S15 A19 | S15-R17 PolarHBondContact O-N 2.85Å; R17-A19 PolarHBondContact O-N 3.45Å | ||
| 18 | G | 30.4 | Very low | 43.9 | Very low | 63 Ų | 63 | 107 Ų | 107 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | trans | -62.2 | 115.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | G16 K20 | G16-G18 PolarHBondContact O-N 3.02Å; G18-K20 PolarHBondContact O-N 2.76Å | ||
| 19 | A | 38.8 | Very low | 46.2 | Very low | 103 Ų | 103 | 105 Ų | 105 | 85% | 0.851 | 67% | 0.666 | S | S | * | * | trans | -56.7 | 105.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | R17 A21 | R17-A19 PolarHBondContact O-N 3.45Å; A19-A21 PolarHBondContact O-N 2.87Å; A19-A21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | K | 42.2 | Very low | 48.7 | Very low | 198 Ų | 198 | 107 Ų | 107 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | trans | -59.9 | 119.1 | 175.9 | -71.8 | -178.6 | 177.6 | 175.5 | 0 | 106.1 | G18 A22 | G18-K20 PolarHBondContact O-N 2.76Å; K20-A22 PolarHBondContact O-N 3.42Å; K20-A22 VanDerWaalsContact O-N 3.15Å | ||
| 21 | A | 47.3 | Very low | 51.3 | Low | 89 Ų | 89 | 104.8 Ų | 104.8 | 74% | 0.736 | 64% | 0.637 | S | S | * | * | trans | -39.3 | 126.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | A19 S23 | A19-A21 PolarHBondContact O-N 2.87Å; A19-A21 VanDerWaalsContact O-N 3.11Å; A21-S23 PolarHBondContact O-N 3.2Å | ||
| 22 | A | 46.8 | Very low | 54 | Low | 104 Ų | 104 | 101.5 Ų | 101.5 | 86% | 0.86 | 62% | 0.617 | S | S | * | * | trans | -63.1 | 88.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | K20 S24 | K20-A22 PolarHBondContact O-N 3.42Å; K20-A22 VanDerWaalsContact O-N 3.15Å; A22-S24 PolarHBondContact O-N 3.02Å | ||
| 23 | S | 60.7 | Low | 56.8 | Low | 46 Ų | 46 | 100.7 Ų | 100.7 | 32% | 0.322 | 60% | 0.602 | S | S | . | * | trans | -56.6 | 131 | -179.1 | 55.2 | 0 | 0 | 0 | 0 | 107.4 | A21 E27 N28 | A21-S23 PolarHBondContact O-N 3.2Å; S23-E27 VanDerWaalsContact CA-OE2 3.28Å; S23-E27 WeakPolarHBondContact CA-OE2 3.3Å; S23-N28 PolarHBondContact O-ND2 3.23Å; S23-N28 VanDerWaalsContact O-ND2 3.13Å; S23-N28 PolarHBondContact OG-ND2 2.86Å; S23-N28 PolarHBondContact OG-OD1 3.35Å | ||
| 24 | S | 71 | Confident | 59.7 | Low | 49 Ų | 49 | 96.5 Ų | 96.5 | 34% | 0.343 | 58% | 0.575 | S | S | . | * | trans | -54.5 | 150.5 | -177.9 | 72.3 | 0 | 0 | 0 | 0 | 109.7 | A22 A26 E27 N28 | A22-S24 PolarHBondContact O-N 3.02Å; S24-A26 PolarHBondContact O-N 3.34Å; S24-E27 PolarHBondContact N-OE2 2.89Å; S24-E27 PolarHBondContact O-N 3.38Å; S24-E27 WeakPolarHBondContact OG-CG 3.33Å; S24-E27 PolarHBondContact OG-N 2.97Å; S24-E27 VanDerWaalsContact OG-N 3.13Å; S24-N28 PolarHBondContact O-N 3.14Å; S24-N28 VanDerWaalsContact O-N 3.07Å | ||
| 25 | P | 69.8 | Low | 62.7 | Low | 81 Ų | 81 | 98.2 Ų | 98.2 | 53% | 0.526 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -50.5 | -34.8 | 174.7 | -28.3 | 35.3 | 0 | 0 | 0 | 112.2 | N28 Y29 | P25-N28 PolarHBondContact O-N 3.15Å; P25-Y29 HydrophobicContact CB-CE2 4.14Å; P25-Y29 WeakPolarHBondContact O-CD2 3.13Å; P25-Y29 VanDerWaalsContact O-CE2 3.3Å; P25-Y29 WeakPolarHBondContact O-CE2 3.49Å; P25-Y29 PolarHBondContact O-N 3.22Å; P25-Y29 VanDerWaalsContact O-N 3.13Å |
| 26 | A | 71.1 | Confident | 65.4 | Low | 53 Ų | 53 | 95 Ų | 95 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S24 N28 Y29 Q30 | S24-A26 PolarHBondContact O-N 3.34Å; A26-N28 VanDerWaalsContact C-N 3.33Å; A26-N28 PolarHBondContact O-N 2.72Å; A26-Y29 PolarHBondContact O-N 3.23Å; A26-Q30 WeakPolarHBondContact O-CG 3.33Å; A26-Q30 PolarHBondContact O-N 2.99Å |
| 27 | E | 73.6 | Confident | 68.4 | Low | 105 Ų | 105 | 93.8 Ų | 93.8 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.7 | -75.2 | 172.1 | 159.4 | 0 | 0 | 111.7 | S23 S24 Y29 Q30 L31 | S23-E27 VanDerWaalsContact CA-OE2 3.28Å; S23-E27 WeakPolarHBondContact CA-OE2 3.3Å; S24-E27 PolarHBondContact N-OE2 2.89Å; S24-E27 PolarHBondContact O-N 3.38Å; S24-E27 WeakPolarHBondContact OG-CG 3.33Å; S24-E27 PolarHBondContact OG-N 2.97Å; S24-E27 VanDerWaalsContact OG-N 3.13Å; E27-Y29 VanDerWaalsContact C-N 3.28Å; E27-Y29 PolarHBondContact O-N 3.35Å; E27-Q30 PolarHBondContact O-N 3.39Å; E27-L31 WeakPolarHBondContact O-CB 3.41Å; E27-L31 PolarHBondContact O-N 3.46Å |
| 28 | N | 77.6 | Confident | 71.1 | Confident | 78 Ų | 78 | 83.9 Ų | 83.9 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 174.2 | -81.5 | -46.3 | 0 | 0 | 0 | 111.8 | S23 S24 P25 A26 A32 | S23-N28 PolarHBondContact O-ND2 3.23Å; S23-N28 VanDerWaalsContact O-ND2 3.13Å; S23-N28 PolarHBondContact OG-ND2 2.86Å; S23-N28 PolarHBondContact OG-OD1 3.35Å; S24-N28 PolarHBondContact O-N 3.14Å; S24-N28 VanDerWaalsContact O-N 3.07Å; P25-N28 PolarHBondContact O-N 3.15Å; A26-N28 VanDerWaalsContact C-N 3.33Å; A26-N28 PolarHBondContact O-N 2.72Å; N28-A32 WeakPolarHBondContact O-CB 3.48Å; N28-A32 PolarHBondContact O-N 3.4Å |
| 29 | Y | 77.6 | Confident | 74 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 26% | 0.255 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 176.8 | -59.4 | -38 | 0 | 0 | 0 | 113 | P25 A26 E27 A32 R33 T125 | P25-Y29 HydrophobicContact CB-CE2 4.14Å; P25-Y29 WeakPolarHBondContact O-CD2 3.13Å; P25-Y29 VanDerWaalsContact O-CE2 3.3Å; P25-Y29 WeakPolarHBondContact O-CE2 3.49Å; P25-Y29 PolarHBondContact O-N 3.22Å; P25-Y29 VanDerWaalsContact O-N 3.13Å; A26-Y29 PolarHBondContact O-N 3.23Å; E27-Y29 VanDerWaalsContact C-N 3.28Å; E27-Y29 PolarHBondContact O-N 3.35Å; Y29-A32 PolarHBondContact O-N 2.88Å; Y29-R33 PolarHBondContact O-N 3.46Å; Y29-R33 VanDerWaalsContact O-N 3.12Å; Y29-T125 HydrophobicContact CD1-CG2 3.38Å; Y29-T125 HydrophobicContact CE1-CG2 3.01Å |
| 30 | Q | 81.3 | Confident | 76.5 | Confident | 121 Ų | 121 | 81.4 Ų | 81.4 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 175.9 | -70.2 | 177.8 | 7.9 | 0 | 0 | 111 | A26 E27 A32 R33 R34 | A26-Q30 WeakPolarHBondContact O-CG 3.33Å; A26-Q30 PolarHBondContact O-N 2.99Å; E27-Q30 PolarHBondContact O-N 3.39Å; Q30-A32 VanDerWaalsContact C-N 3.35Å; Q30-A32 PolarHBondContact O-N 3.31Å; Q30-R33 PolarHBondContact O-N 3.37Å; Q30-R34 PolarHBondContact O-N 3.4Å |
| 31 | L | 83.3 | Confident | 78.9 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 40% | 0.398 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 178.6 | -170.7 | 62.6 | 0 | 0 | 0 | 112.2 | E27 R34 R35 | E27-L31 WeakPolarHBondContact O-CB 3.41Å; E27-L31 PolarHBondContact O-N 3.46Å; L31-R34 PolarHBondContact O-N 3.14Å; L31-R35 WeakPolarHBondContact O-CG 3.26Å; L31-R35 PolarHBondContact O-N 2.98Å |
| 32 | A | 83.8 | Confident | 81 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N28 Y29 Q30 R35 T36 | N28-A32 WeakPolarHBondContact O-CB 3.48Å; N28-A32 PolarHBondContact O-N 3.4Å; Y29-A32 PolarHBondContact O-N 2.88Å; Q30-A32 VanDerWaalsContact C-N 3.35Å; Q30-A32 PolarHBondContact O-N 3.31Å; A32-R35 PolarHBondContact O-N 2.88Å; A32-T36 PolarHBondContact O-N 3.06Å; A32-T36 PolarHBondContact O-OG1 3.36Å |
| 33 | R | 85.9 | Confident | 83.1 | Confident | 154 Ų | 154 | 66.3 Ų | 66.3 | 58% | 0.581 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 174.7 | -73.3 | -172.8 | -70.7 | -105.1 | 1.3 | 111.7 | Y29 Q30 R35 T36 L37 | Y29-R33 PolarHBondContact O-N 3.46Å; Y29-R33 VanDerWaalsContact O-N 3.12Å; Q30-R33 PolarHBondContact O-N 3.37Å; R33-R35 PolarHBondContact O-N 2.92Å; R33-T36 VanDerWaalsContact O-CB 3.29Å; R33-T36 WeakPolarHBondContact O-CB 3.49Å; R33-T36 PolarHBondContact O-N 2.99Å; R33-T36 VanDerWaalsContact O-N 3.12Å; R33-L37 PolarHBondContact O-N 3.29Å; R33-L37 VanDerWaalsContact O-N 3.09Å |
| 34 | R | 89.8 | Confident | 84.6 | Confident | 55 Ų | 55 | 67 Ų | 67 | 21% | 0.208 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.3 | -47.3 | 174 | 177.4 | -179 | 179 | 77.4 | -10.4 | 112.1 | Q30 L31 T36 L37 Q38 E63 | Q30-R34 PolarHBondContact O-N 3.4Å; L31-R34 PolarHBondContact O-N 3.14Å; R34-T36 PolarHBondContact O-N 3.47Å; R34-L37 WeakPolarHBondContact O-CB 2.99Å; R34-L37 PolarHBondContact O-N 3.23Å; R34-L37 VanDerWaalsContact O-N 3.09Å; R34-Q38 PolarHBondContact O-N 3.13Å; R34-E63 IonicContact CZ-OE1 2.63Å; R34-E63 IonicContact NH1-OE1 2.84Å; R34-E63 PolarHBondContact NH1-OE1 3.38Å; R34-E63 IonicContact NH2-OE1 3.72Å; R34-E63 PolarHBondContact NH2-OE1 3.43Å |
| 35 | R | 88.6 | Confident | 85.6 | Confident | 150 Ų | 150 | 66.3 Ų | 66.3 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.8 | -35.6 | 176.5 | -74.1 | 176.4 | -176.9 | 172.3 | 3.8 | 112.1 | L31 A32 R33 Q38 V39 | L31-R35 WeakPolarHBondContact O-CG 3.26Å; L31-R35 PolarHBondContact O-N 2.98Å; A32-R35 PolarHBondContact O-N 2.88Å; R33-R35 PolarHBondContact O-N 2.92Å; R35-Q38 WeakPolarHBondContact O-CB 3.4Å; R35-Q38 PolarHBondContact O-N 2.74Å; R35-V39 WeakPolarHBondContact O-CG2 3.3Å; R35-V39 PolarHBondContact O-N 3.43Å |
| 36 | T | 89.4 | Confident | 86.5 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.9 | -51.1 | 0 | 0 | 0 | 0 | 111.1 | A32 R33 R34 Q38 V39 V40 P122 | A32-T36 PolarHBondContact O-N 3.06Å; A32-T36 PolarHBondContact O-OG1 3.36Å; R33-T36 VanDerWaalsContact O-CB 3.29Å; R33-T36 WeakPolarHBondContact O-CB 3.49Å; R33-T36 PolarHBondContact O-N 2.99Å; R33-T36 VanDerWaalsContact O-N 3.12Å; R34-T36 PolarHBondContact O-N 3.47Å; T36-Q38 VanDerWaalsContact C-N 3.33Å; T36-Q38 PolarHBondContact O-N 3.24Å; T36-V39 WeakPolarHBondContact O-CB 3.31Å; T36-V39 PolarHBondContact O-N 3.45Å; T36-V40 VanDerWaalsContact O-CG2 3.26Å; T36-V40 WeakPolarHBondContact O-CG2 3.46Å; T36-V40 PolarHBondContact O-N 2.96Å; T36-P122 HydrophobicContact CG2-CB 4.38Å; T36-P122 HydrophobicContact CG2-CG 4.26Å |
| 37 | L | 91.3 | Very high | 87.4 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 173.9 | -63.6 | 175.3 | 0 | 0 | 0 | 112 | R33 R34 V39 V40 V41 T62 M65 Q66 I69 | R33-L37 PolarHBondContact O-N 3.29Å; R33-L37 VanDerWaalsContact O-N 3.09Å; R34-L37 WeakPolarHBondContact O-CB 2.99Å; R34-L37 PolarHBondContact O-N 3.23Å; R34-L37 VanDerWaalsContact O-N 3.09Å; L37-V39 VanDerWaalsContact C-N 3.33Å; L37-V39 PolarHBondContact O-N 2.98Å; L37-V40 WeakPolarHBondContact O-CB 3.49Å; L37-V40 PolarHBondContact O-N 2.94Å; L37-V40 VanDerWaalsContact O-N 3.16Å; L37-V41 WeakPolarHBondContact O-CG2 3.41Å; L37-V41 PolarHBondContact O-N 2.88Å; L37-T62 HydrophobicContact CB-CG2 3.69Å; L37-M65 HydrophobicContact CB-CE 3.78Å; L37-M65 HydrophobicContact CD2-CE 3.55Å; L37-M65 HydrophobicContact CG-CE 4.2Å; L37-Q66 HydrophobicContact CD1-CB 4.02Å; L37-I69 HydrophobicContact CD2-CD1 4.5Å |
| 38 | Q | 92.5 | Very high | 88.1 | Confident | 46 Ų | 46 | 65.4 Ų | 65.4 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 174.1 | -67.2 | 176.6 | -26.9 | 0 | 0 | 112.3 | R34 R35 T36 V40 V41 S42 T62 | R34-Q38 PolarHBondContact O-N 3.13Å; R35-Q38 WeakPolarHBondContact O-CB 3.4Å; R35-Q38 PolarHBondContact O-N 2.74Å; T36-Q38 VanDerWaalsContact C-N 3.33Å; T36-Q38 PolarHBondContact O-N 3.24Å; Q38-V40 VanDerWaalsContact C-N 3.32Å; Q38-V41 PolarHBondContact O-N 3.36Å; Q38-S42 WeakPolarHBondContact O-CB 3.25Å; Q38-S42 PolarHBondContact O-N 2.92Å; Q38-S42 PolarHBondContact O-OG 3.02Å; Q38-T62 HydrophobicContact CG-CG2 3.77Å; Q38-T62 WeakPolarHBondContact CG-OG1 3.41Å |
| 39 | V | 91.3 | Very high | 88.8 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 173.6 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | R35 T36 L37 S42 A43 I119 | R35-V39 WeakPolarHBondContact O-CG2 3.3Å; R35-V39 PolarHBondContact O-N 3.43Å; T36-V39 WeakPolarHBondContact O-CB 3.31Å; T36-V39 PolarHBondContact O-N 3.45Å; L37-V39 VanDerWaalsContact C-N 3.33Å; L37-V39 PolarHBondContact O-N 2.98Å; V39-S42 PolarHBondContact O-N 2.99Å; V39-A43 WeakPolarHBondContact O-CB 3.4Å; V39-A43 PolarHBondContact O-N 3.31Å; V39-I119 HydrophobicContact CG1-CG2 4.41Å |
| 40 | V | 91.4 | Very high | 89.5 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 19% | 0.188 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.3 | -49 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 111 | T36 L37 Q38 S42 A43 L44 M65 I119 | T36-V40 VanDerWaalsContact O-CG2 3.26Å; T36-V40 WeakPolarHBondContact O-CG2 3.46Å; T36-V40 PolarHBondContact O-N 2.96Å; L37-V40 WeakPolarHBondContact O-CB 3.49Å; L37-V40 PolarHBondContact O-N 2.94Å; L37-V40 VanDerWaalsContact O-N 3.16Å; Q38-V40 VanDerWaalsContact C-N 3.32Å; V40-S42 VanDerWaalsContact C-N 3.32Å; V40-S42 PolarHBondContact O-N 3.39Å; V40-A43 WeakPolarHBondContact O-CB 3.31Å; V40-A43 PolarHBondContact O-N 2.96Å; V40-L44 HydrophobicContact CG1-CD1 4.35Å; V40-L44 WeakPolarHBondContact O-CG 3.27Å; V40-L44 PolarHBondContact O-N 3.21Å; V40-M65 HydrophobicContact CB-CE 4.05Å; V40-M65 HydrophobicContact CG1-CE 3.95Å; V40-M65 HydrophobicContact CG1-SD 4.3Å; V40-I119 HydrophobicContact CB-CD1 3.97Å; V40-I119 HydrophobicContact CG1-CD1 3.92Å; V40-I119 HydrophobicContact CG2-CD1 3.52Å; V40-I119 HydrophobicContact CG2-CG1 4.41Å; V40-I119 HydrophobicContact CG2-CG2 4.14Å |
| 41 | V | 93.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 71.4 Ų | 71.4 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | L37 Q38 A43 L44 L45 V58 L61 M65 | L37-V41 WeakPolarHBondContact O-CG2 3.41Å; L37-V41 PolarHBondContact O-N 2.88Å; Q38-V41 PolarHBondContact O-N 3.36Å; V41-A43 VanDerWaalsContact C-N 3.33Å; V41-A43 PolarHBondContact O-N 2.79Å; V41-L44 PolarHBondContact O-N 3.43Å; V41-L45 HydrophobicContact CG1-CD1 4.14Å; V41-L45 HydrophobicContact CG1-CG 4.48Å; V41-L45 WeakPolarHBondContact O-CG 3.42Å; V41-L45 PolarHBondContact O-N 3.34Å; V41-V58 HydrophobicContact CG1-CG1 4.21Å; V41-L61 HydrophobicContact CG1-CB 4.07Å; V41-L61 HydrophobicContact CG1-CD1 4.46Å; V41-M65 HydrophobicContact CG2-CE 3.88Å; V41-M65 HydrophobicContact CG2-SD 3.84Å |
| 42 | S | 91.6 | Very high | 90.6 | Very high | 52 Ų | 52 | 72.8 Ų | 72.8 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 178.9 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | Q38 V39 V40 L45 T46 | Q38-S42 WeakPolarHBondContact O-CB 3.25Å; Q38-S42 PolarHBondContact O-N 2.92Å; Q38-S42 PolarHBondContact O-OG 3.02Å; V39-S42 PolarHBondContact O-N 2.99Å; V40-S42 VanDerWaalsContact C-N 3.32Å; V40-S42 PolarHBondContact O-N 3.39Å; S42-L45 PolarHBondContact O-N 2.86Å; S42-T46 WeakPolarHBondContact O-CB 3.29Å; S42-T46 PolarHBondContact O-N 3.16Å; S42-T46 PolarHBondContact O-OG1 3.18Å |
| 43 | A | 90.5 | Very high | 91.1 | Very high | 13 Ų | 13 | 73.5 Ų | 73.5 | 11% | 0.107 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V39 V40 V41 T46 E47 M117 | V39-A43 WeakPolarHBondContact O-CB 3.4Å; V39-A43 PolarHBondContact O-N 3.31Å; V40-A43 WeakPolarHBondContact O-CB 3.31Å; V40-A43 PolarHBondContact O-N 2.96Å; V41-A43 VanDerWaalsContact C-N 3.33Å; V41-A43 PolarHBondContact O-N 2.79Å; A43-T46 PolarHBondContact O-N 3.16Å; A43-E47 WeakPolarHBondContact O-CB 3.38Å; A43-E47 PolarHBondContact O-N 2.94Å; A43-M117 HydrophobicContact CB-CB 4.05Å; A43-M117 HydrophobicContact CB-SD 4.06Å |
| 44 | L | 91.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 73 Ų | 73 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 175.6 | -67.6 | 173.9 | 0 | 0 | 0 | 112.5 | V40 V41 E47 S48 | V40-L44 HydrophobicContact CG1-CD1 4.35Å; V40-L44 WeakPolarHBondContact O-CG 3.27Å; V40-L44 PolarHBondContact O-N 3.21Å; V41-L44 PolarHBondContact O-N 3.43Å; L44-E47 PolarHBondContact O-N 3Å; L44-S48 WeakPolarHBondContact O-CB 3.23Å; L44-S48 PolarHBondContact O-N 3.47Å; L44-S48 PolarHBondContact O-OG 3.36Å |
| 45 | L | 91.9 | Very high | 91.9 | Very high | 35 Ų | 35 | 77.9 Ų | 77.9 | 18% | 0.183 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 174.4 | -69.7 | 173.6 | 0 | 0 | 0 | 111.6 | V41 S42 S48 G49 F50 A53 V58 | V41-L45 HydrophobicContact CG1-CD1 4.14Å; V41-L45 HydrophobicContact CG1-CG 4.48Å; V41-L45 WeakPolarHBondContact O-CG 3.42Å; V41-L45 PolarHBondContact O-N 3.34Å; S42-L45 PolarHBondContact O-N 2.86Å; L45-S48 CarbonylContact O-C 3.59Å; L45-S48 WeakPolarHBondContact O-CB 3.42Å; L45-S48 PolarHBondContact O-N 3.4Å; L45-S48 VanDerWaalsContact O-N 3.15Å; L45-G49 PolarHBondContact O-N 3.42Å; L45-F50 HydrophobicContact CB-CB 4.43Å; L45-F50 HydrophobicContact CB-CD2 4.27Å; L45-F50 HydrophobicContact CD2-CD2 3.78Å; L45-F50 HydrophobicContact CD2-CE2 4.06Å; L45-F50 HydrophobicContact CD2-CG 4.49Å; L45-F50 WeakPolarHBondContact O-CD2 3.15Å; L45-F50 PolarHBondContact O-N 2.91Å; L45-F50 VanDerWaalsContact O-N 3.1Å; L45-A53 HydrophobicContact CD1-CB 4.29Å; L45-V58 HydrophobicContact CD1-CG2 4.01Å |
| 46 | T | 90.2 | Very high | 92.2 | Very high | 81 Ų | 81 | 73 Ų | 73 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | S42 A43 S48 G49 M117 | S42-T46 WeakPolarHBondContact O-CB 3.29Å; S42-T46 PolarHBondContact O-N 3.16Å; S42-T46 PolarHBondContact O-OG1 3.18Å; A43-T46 PolarHBondContact O-N 3.16Å; T46-S48 VanDerWaalsContact C-N 3.25Å; T46-S48 PolarHBondContact O-N 2.9Å; T46-G49 PolarHBondContact O-N 3.28Å; T46-M117 HydrophobicContact CG2-CE 4.46Å; T46-M117 HydrophobicContact CG2-SD 3.79Å |
| 47 | E | 88.7 | Confident | 92.5 | Very high | 52 Ų | 52 | 73.5 Ų | 73.5 | 24% | 0.243 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 173.6 | 175.7 | 173.2 | -163.1 | 0 | 0 | 112.8 | A43 L44 G49 R113 Q115 | A43-E47 WeakPolarHBondContact O-CB 3.38Å; A43-E47 PolarHBondContact O-N 2.94Å; L44-E47 PolarHBondContact O-N 3Å; E47-G49 PolarHBondContact O-N 3.46Å; E47-R113 WeakPolarHBondContact OE1-CD 3.49Å; E47-R113 IonicContact OE1-CZ 2.83Å; E47-R113 IonicContact OE1-NE 2.74Å; E47-R113 IonicContact OE1-NH1 2.59Å; E47-R113 PolarHBondContact OE1-NH1 2.96Å; E47-R113 IonicContact OE2-CZ 3.35Å; E47-R113 IonicContact OE2-NH1 3.65Å; E47-R113 PolarHBondContact OE2-NH1 3.46Å; E47-R113 IonicContact OE2-NH2 2.64Å; E47-R113 PolarHBondContact OE2-NH2 3.43Å; E47-Q115 VanDerWaalsContact CD-O 3.31Å; E47-Q115 HydrophobicContact CG-CB 3.82Å |
| 48 | S | 89.4 | Confident | 92.7 | Very high | 86 Ų | 86 | 72.4 Ų | 72.4 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -6.9 | 175.7 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | L44 L45 T46 | L44-S48 WeakPolarHBondContact O-CB 3.23Å; L44-S48 PolarHBondContact O-N 3.47Å; L44-S48 PolarHBondContact O-OG 3.36Å; L45-S48 CarbonylContact O-C 3.59Å; L45-S48 WeakPolarHBondContact O-CB 3.42Å; L45-S48 PolarHBondContact O-N 3.4Å; L45-S48 VanDerWaalsContact O-N 3.15Å; T46-S48 VanDerWaalsContact C-N 3.25Å; T46-S48 PolarHBondContact O-N 2.9Å |
| 49 | G | 91.1 | Very high | 92.8 | Very high | 66 Ų | 66 | 73.6 Ų | 73.6 | 68% | 0.68 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 16.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L45 T46 E47 | L45-G49 PolarHBondContact O-N 3.42Å; T46-G49 PolarHBondContact O-N 3.28Å; E47-G49 PolarHBondContact O-N 3.46Å |
| 50 | F | 93.8 | Very high | 93.1 | Very high | 126 Ų | 126 | 73.5 Ų | 73.5 | 55% | 0.553 | 43% | 0.43 | S | S | * | . | trans | -77.1 | 125 | 174.7 | -67.6 | -81.3 | 0 | 0 | 0 | 111 | L45 | L45-F50 HydrophobicContact CB-CB 4.43Å; L45-F50 HydrophobicContact CB-CD2 4.27Å; L45-F50 HydrophobicContact CD2-CD2 3.78Å; L45-F50 HydrophobicContact CD2-CE2 4.06Å; L45-F50 HydrophobicContact CD2-CG 4.49Å; L45-F50 WeakPolarHBondContact O-CD2 3.15Å; L45-F50 PolarHBondContact O-N 2.91Å; L45-F50 VanDerWaalsContact O-N 3.1Å | ||
| 51 | E | 93.8 | Very high | 93.3 | Very high | 199 Ų | 199 | 75.6 Ų | 75.6 | 93% | 0.93 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -82.6 | -33.3 | 176.3 | -174.1 | 174.8 | -175.8 | 0 | 0 | 112.6 | ||
| 52 | S | 93.7 | Very high | 93.4 | Very high | 105 Ų | 105 | 75.1 Ų | 75.1 | 73% | 0.734 | 44% | 0.437 | S | S | * | . | trans | -142.7 | 147.3 | -178.9 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 53 | A | 94.7 | Very high | 93.6 | Very high | 62 Ų | 62 | 76.1 Ų | 76.1 | 51% | 0.512 | 44% | 0.436 | S | S | . | . | trans | -140.7 | 149 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | L45 V58 | L45-A53 HydrophobicContact CD1-CB 4.29Å; A53-V58 HydrophobicContact CB-CG2 3.74Å | ||
| 54 | E | 96.6 | Very high | 93.9 | Very high | 143 Ų | 143 | 81.2 Ų | 81.2 | 67% | 0.668 | 46% | 0.459 | S | S | * | . | trans | -69.3 | 132 | 172.8 | -173.5 | -178.4 | 170.3 | 0 | 0 | 110.3 | A56 A57 V58 | E54-A56 VanDerWaalsContact C-N 3.32Å; E54-A56 HydrophobicContact CG-CB 4.4Å; E54-A56 PolarHBondContact O-N 2.9Å; E54-A57 HydrophobicContact CB-CB 4.15Å; E54-A57 PolarHBondContact O-N 3.23Å; E54-A57 VanDerWaalsContact O-N 3.16Å; E54-V58 PolarHBondContact O-N 2.97Å; E54-V58 VanDerWaalsContact O-N 3.09Å | ||
| 55 | K | 94.2 | Very high | 94.1 | Very high | 158 Ų | 158 | 80.4 Ų | 80.4 | 69% | 0.687 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.2 | -43.1 | -177.5 | -173.1 | -175.1 | 175.2 | -158.8 | 0 | 112.5 | A57 V58 E59 | K55-A57 VanDerWaalsContact C-N 3.34Å; K55-A57 PolarHBondContact O-N 3.03Å; K55-V58 PolarHBondContact O-N 3.16Å; K55-E59 WeakPolarHBondContact CE-OE1 3.18Å; K55-E59 IonicContact NZ-OE1 3.8Å; K55-E59 WeakPolarHBondContact O-CG 3.5Å; K55-E59 PolarHBondContact O-N 3.49Å |
| 56 | A | 95.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 81.7 Ų | 81.7 | 40% | 0.397 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E54 V58 E59 T60 | E54-A56 VanDerWaalsContact C-N 3.32Å; E54-A56 HydrophobicContact CG-CB 4.4Å; E54-A56 PolarHBondContact O-N 2.9Å; A56-V58 PolarHBondContact O-N 3.09Å; A56-E59 PolarHBondContact O-N 3Å; A56-T60 PolarHBondContact O-N 3.05Å; A56-T60 PolarHBondContact O-OG1 3.1Å; A56-T60 VanDerWaalsContact O-OG1 3.05Å |
| 57 | A | 95.8 | Very high | 94.5 | Very high | 44 Ų | 44 | 81 Ų | 81 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E54 K55 E59 T60 L61 | E54-A57 HydrophobicContact CB-CB 4.15Å; E54-A57 PolarHBondContact O-N 3.23Å; E54-A57 VanDerWaalsContact O-N 3.16Å; K55-A57 VanDerWaalsContact C-N 3.34Å; K55-A57 PolarHBondContact O-N 3.03Å; A57-E59 VanDerWaalsContact C-N 3.32Å; A57-E59 PolarHBondContact O-N 3.2Å; A57-T60 PolarHBondContact O-N 3.35Å; A57-L61 WeakPolarHBondContact O-CB 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.24Å; A57-L61 PolarHBondContact O-N 3.33Å |
| 58 | V | 95.6 | Very high | 94.9 | Very high | 21 Ų | 21 | 83.5 Ų | 83.5 | 13% | 0.127 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 175.6 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | V41 L45 A53 E54 K55 A56 L61 T62 | V41-V58 HydrophobicContact CG1-CG1 4.21Å; L45-V58 HydrophobicContact CD1-CG2 4.01Å; A53-V58 HydrophobicContact CB-CG2 3.74Å; E54-V58 PolarHBondContact O-N 2.97Å; E54-V58 VanDerWaalsContact O-N 3.09Å; K55-V58 PolarHBondContact O-N 3.16Å; A56-V58 PolarHBondContact O-N 3.09Å; V58-L61 PolarHBondContact O-N 3.37Å; V58-T62 WeakPolarHBondContact O-CB 3.22Å; V58-T62 PolarHBondContact O-N 3.15Å; V58-T62 PolarHBondContact O-OG1 3.01Å |
| 59 | E | 94.6 | Very high | 95.2 | Very high | 71 Ų | 71 | 83.8 Ų | 83.8 | 33% | 0.332 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 174.8 | -72.5 | 178.9 | 177.8 | 0 | 0 | 111.6 | K55 A56 A57 T62 E63 | K55-E59 WeakPolarHBondContact CE-OE1 3.18Å; K55-E59 IonicContact NZ-OE1 3.8Å; K55-E59 WeakPolarHBondContact O-CG 3.5Å; K55-E59 PolarHBondContact O-N 3.49Å; A56-E59 PolarHBondContact O-N 3Å; A57-E59 VanDerWaalsContact C-N 3.32Å; A57-E59 PolarHBondContact O-N 3.2Å; E59-T62 WeakPolarHBondContact O-CB 3.42Å; E59-T62 PolarHBondContact O-N 3.39Å; E59-E63 WeakPolarHBondContact O-CG 3.44Å; E59-E63 PolarHBondContact O-N 3.07Å |
| 60 | T | 96.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 84.1 Ų | 84.1 | 49% | 0.491 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 175.3 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | A56 A57 T62 E63 M64 | A56-T60 PolarHBondContact O-N 3.05Å; A56-T60 PolarHBondContact O-OG1 3.1Å; A56-T60 VanDerWaalsContact O-OG1 3.05Å; A57-T60 PolarHBondContact O-N 3.35Å; T60-T62 PolarHBondContact O-N 2.96Å; T60-E63 WeakPolarHBondContact O-CB 3.47Å; T60-E63 PolarHBondContact O-N 2.9Å; T60-E63 VanDerWaalsContact O-N 3.13Å; T60-M64 HydrophobicContact CG2-SD 4.34Å; T60-M64 WeakPolarHBondContact O-CG 3.45Å; T60-M64 PolarHBondContact O-N 2.95Å |
| 61 | L | 96.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 82 Ų | 82 | 40% | 0.398 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.7 | -34.6 | 175.1 | -73.7 | 173.7 | 0 | 0 | 0 | 111.8 | V41 A57 V58 M64 M65 | V41-L61 HydrophobicContact CG1-CB 4.07Å; V41-L61 HydrophobicContact CG1-CD1 4.46Å; A57-L61 WeakPolarHBondContact O-CB 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.24Å; A57-L61 PolarHBondContact O-N 3.33Å; V58-L61 PolarHBondContact O-N 3.37Å; L61-M64 HydrophobicContact CD2-SD 4.42Å; L61-M64 PolarHBondContact O-N 3.38Å; L61-M65 WeakPolarHBondContact O-CB 3.41Å; L61-M65 PolarHBondContact O-N 2.92Å |
| 62 | T | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 173.5 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | L37 Q38 V58 E59 T60 M65 Q66 | L37-T62 HydrophobicContact CB-CG2 3.69Å; Q38-T62 HydrophobicContact CG-CG2 3.77Å; Q38-T62 WeakPolarHBondContact CG-OG1 3.41Å; V58-T62 WeakPolarHBondContact O-CB 3.22Å; V58-T62 PolarHBondContact O-N 3.15Å; V58-T62 PolarHBondContact O-OG1 3.01Å; E59-T62 WeakPolarHBondContact O-CB 3.42Å; E59-T62 PolarHBondContact O-N 3.39Å; T60-T62 PolarHBondContact O-N 2.96Å; T62-M65 PolarHBondContact O-N 3.45Å; T62-Q66 WeakPolarHBondContact O-CG 3.47Å; T62-Q66 PolarHBondContact O-N 3.06Å |
| 63 | E | 95.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 34% | 0.341 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 173.2 | -70.6 | -65.6 | 155 | 0 | 0 | 112.2 | R34 E59 T60 Q66 S67 | R34-E63 IonicContact CZ-OE1 2.63Å; R34-E63 IonicContact NH1-OE1 2.84Å; R34-E63 PolarHBondContact NH1-OE1 3.38Å; R34-E63 IonicContact NH2-OE1 3.72Å; R34-E63 PolarHBondContact NH2-OE1 3.43Å; E59-E63 WeakPolarHBondContact O-CG 3.44Å; E59-E63 PolarHBondContact O-N 3.07Å; T60-E63 WeakPolarHBondContact O-CB 3.47Å; T60-E63 PolarHBondContact O-N 2.9Å; T60-E63 VanDerWaalsContact O-N 3.13Å; E63-Q66 WeakPolarHBondContact O-CG 3.48Å; E63-Q66 PolarHBondContact OE2-NE2 3.11Å; E63-S67 WeakPolarHBondContact O-CB 3.19Å; E63-S67 PolarHBondContact O-N 3.24Å; E63-S67 PolarHBondContact O-OG 3.15Å |
| 64 | M | 96.7 | Very high | 95.5 | Very high | 119 Ų | 119 | 75.8 Ų | 75.8 | 59% | 0.586 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.1 | -42.2 | 177.1 | -68.5 | 177.4 | 71.1 | 0 | 0 | 111.2 | T60 L61 S67 Y68 | T60-M64 HydrophobicContact CG2-SD 4.34Å; T60-M64 WeakPolarHBondContact O-CG 3.45Å; T60-M64 PolarHBondContact O-N 2.95Å; L61-M64 HydrophobicContact CD2-SD 4.42Å; L61-M64 PolarHBondContact O-N 3.38Å; M64-S67 PolarHBondContact O-N 2.93Å; M64-Y68 WeakPolarHBondContact O-CB 3.38Å; M64-Y68 PolarHBondContact O-N 2.78Å |
| 65 | M | 95.1 | Very high | 95.4 | Very high | 43 Ų | 43 | 70.5 Ų | 70.5 | 21% | 0.212 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 178.7 | -171 | 170.8 | 85.3 | 0 | 0 | 111.9 | L37 V40 V41 L61 T62 S67 Y68 I69 | L37-M65 HydrophobicContact CB-CE 3.78Å; L37-M65 HydrophobicContact CD2-CE 3.55Å; L37-M65 HydrophobicContact CG-CE 4.2Å; V40-M65 HydrophobicContact CB-CE 4.05Å; V40-M65 HydrophobicContact CG1-CE 3.95Å; V40-M65 HydrophobicContact CG1-SD 4.3Å; V41-M65 HydrophobicContact CG2-CE 3.88Å; V41-M65 HydrophobicContact CG2-SD 3.84Å; L61-M65 WeakPolarHBondContact O-CB 3.41Å; L61-M65 PolarHBondContact O-N 2.92Å; T62-M65 PolarHBondContact O-N 3.45Å; M65-S67 VanDerWaalsContact C-N 3.34Å; M65-S67 PolarHBondContact O-N 3.39Å; M65-Y68 PolarHBondContact O-N 3.1Å; M65-I69 HydrophobicContact CG-CD1 4.23Å; M65-I69 VanDerWaalsContact O-CG1 3.29Å; M65-I69 WeakPolarHBondContact O-CG1 3.5Å; M65-I69 PolarHBondContact O-N 2.96Å |
| 66 | Q | 95.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 176 | 66.5 | 174.1 | 18.9 | 0 | 0 | 112.4 | L37 T62 E63 Y68 I69 T70 | L37-Q66 HydrophobicContact CD1-CB 4.02Å; T62-Q66 WeakPolarHBondContact O-CG 3.47Å; T62-Q66 PolarHBondContact O-N 3.06Å; E63-Q66 WeakPolarHBondContact O-CG 3.48Å; E63-Q66 PolarHBondContact OE2-NE2 3.11Å; Q66-Y68 VanDerWaalsContact C-N 3.35Å; Q66-I69 PolarHBondContact O-N 2.76Å; Q66-T70 WeakPolarHBondContact O-CB 3.45Å; Q66-T70 PolarHBondContact O-N 3.35Å; Q66-T70 PolarHBondContact O-OG1 3.46Å |
| 67 | S | 96.4 | Very high | 95.3 | Very high | 67 Ų | 67 | 66.7 Ų | 66.7 | 47% | 0.469 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | E63 M64 M65 T70 E71 | E63-S67 WeakPolarHBondContact O-CB 3.19Å; E63-S67 PolarHBondContact O-N 3.24Å; E63-S67 PolarHBondContact O-OG 3.15Å; M64-S67 PolarHBondContact O-N 2.93Å; M65-S67 VanDerWaalsContact C-N 3.34Å; M65-S67 PolarHBondContact O-N 3.39Å; S67-T70 WeakPolarHBondContact O-CB 3.4Å; S67-T70 PolarHBondContact O-N 3.22Å; S67-E71 WeakPolarHBondContact O-CB 3.46Å; S67-E71 PolarHBondContact O-N 3.46Å |
| 68 | Y | 96.2 | Very high | 95.1 | Very high | 103 Ų | 103 | 67.9 Ų | 67.9 | 40% | 0.404 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 177 | -172 | -110.1 | 0 | 0 | 0 | 112.7 | M64 M65 Q66 T70 E71 I72 M100 | M64-Y68 WeakPolarHBondContact O-CB 3.38Å; M64-Y68 PolarHBondContact O-N 2.78Å; M65-Y68 PolarHBondContact O-N 3.1Å; Q66-Y68 VanDerWaalsContact C-N 3.35Å; Y68-T70 VanDerWaalsContact C-N 3.29Å; Y68-T70 PolarHBondContact O-N 3.23Å; Y68-E71 PolarHBondContact O-N 3.43Å; Y68-I72 HydrophobicContact CD1-CD1 3.79Å; Y68-I72 HydrophobicContact CE1-CD1 3.53Å; Y68-I72 HydrophobicContact CE1-CG1 4.29Å; Y68-I72 WeakPolarHBondContact O-CG1 3.36Å; Y68-I72 PolarHBondContact O-N 3.04Å; Y68-M100 HydrophobicContact CD2-CE 3.78Å; Y68-M100 HydrophobicContact CE2-CE 3.4Å; Y68-M100 HydrophobicContact CE2-SD 4.48Å |
| 69 | I | 95.3 | Very high | 94.8 | Very high | 92 Ų | 92 | 70.3 Ų | 70.3 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60 | -42 | 174 | -67.7 | 164.5 | 0 | 0 | 0 | 110.8 | L37 M65 Q66 E71 G73 | L37-I69 HydrophobicContact CD2-CD1 4.5Å; M65-I69 HydrophobicContact CG-CD1 4.23Å; M65-I69 VanDerWaalsContact O-CG1 3.29Å; M65-I69 WeakPolarHBondContact O-CG1 3.5Å; M65-I69 PolarHBondContact O-N 2.96Å; Q66-I69 PolarHBondContact O-N 2.76Å; I69-E71 VanDerWaalsContact C-N 3.34Å; I69-G73 PolarHBondContact O-N 2.88Å; I69-G73 VanDerWaalsContact O-N 3.15Å |
| 70 | T | 95.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 178.2 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | Q66 S67 Y68 G73 R74 | Q66-T70 WeakPolarHBondContact O-CB 3.45Å; Q66-T70 PolarHBondContact O-N 3.35Å; Q66-T70 PolarHBondContact O-OG1 3.46Å; S67-T70 WeakPolarHBondContact O-CB 3.4Å; S67-T70 PolarHBondContact O-N 3.22Å; Y68-T70 VanDerWaalsContact C-N 3.29Å; Y68-T70 PolarHBondContact O-N 3.23Å; T70-G73 PolarHBondContact O-N 3.43Å; T70-R74 WeakPolarHBondContact O-CG 3.41Å; T70-R74 PolarHBondContact O-N 3.12Å |
| 71 | E | 95.6 | Very high | 94.6 | Very high | 82 Ų | 82 | 68 Ų | 68 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 179.4 | -161 | 65.2 | -174.2 | 0 | 0 | 111.9 | S67 Y68 I69 G73 R74 C75 M100 | S67-E71 WeakPolarHBondContact O-CB 3.46Å; S67-E71 PolarHBondContact O-N 3.46Å; Y68-E71 PolarHBondContact O-N 3.43Å; I69-E71 VanDerWaalsContact C-N 3.34Å; E71-G73 VanDerWaalsContact C-N 3.26Å; E71-G73 PolarHBondContact O-N 3.41Å; E71-R74 PolarHBondContact O-N 3.41Å; E71-R74 VanDerWaalsContact O-N 3.14Å; E71-R74 IonicContact OE2-NH1 3.83Å; E71-C75 PolarHBondContact O-N 3.45Å; E71-C75 PolarHBondContact O-SG 3.39Å; E71-M100 HydrophobicContact CB-CE 3.97Å; E71-M100 HydrophobicContact CG-CE 3.93Å |
| 72 | I | 95.2 | Very high | 94.4 | Very high | 38 Ų | 38 | 71.3 Ų | 71.3 | 20% | 0.195 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.2 | -46.3 | 170.5 | -67.8 | 164 | 0 | 0 | 0 | 110.2 | Y68 R74 C75 A76 T96 L97 M100 | Y68-I72 HydrophobicContact CD1-CD1 3.79Å; Y68-I72 HydrophobicContact CE1-CD1 3.53Å; Y68-I72 HydrophobicContact CE1-CG1 4.29Å; Y68-I72 WeakPolarHBondContact O-CG1 3.36Å; Y68-I72 PolarHBondContact O-N 3.04Å; I72-R74 PolarHBondContact O-N 3.36Å; I72-C75 PolarHBondContact O-N 2.96Å; I72-A76 WeakPolarHBondContact O-CB 3.34Å; I72-A76 PolarHBondContact O-N 2.76Å; I72-T96 HydrophobicContact CG2-CG2 4.38Å; I72-L97 HydrophobicContact CD1-CD2 4.35Å; I72-M100 HydrophobicContact CB-SD 4.25Å; I72-M100 HydrophobicContact CG1-CE 3.93Å; I72-M100 HydrophobicContact CG1-SD 3.48Å; I72-M100 WeakPolarHBondContact CG1-SD 3.4Å |
| 73 | G | 94.3 | Very high | 94.1 | Very high | 42 Ų | 42 | 74.9 Ų | 74.9 | 43% | 0.433 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I69 T70 E71 K77 | I69-G73 PolarHBondContact O-N 2.88Å; I69-G73 VanDerWaalsContact O-N 3.15Å; T70-G73 PolarHBondContact O-N 3.43Å; E71-G73 VanDerWaalsContact C-N 3.26Å; E71-G73 PolarHBondContact O-N 3.41Å; G73-K77 VanDerWaalsContact O-CB 3.26Å; G73-K77 WeakPolarHBondContact O-CB 3.36Å; G73-K77 PolarHBondContact O-N 3.38Å |
| 74 | R | 93.8 | Very high | 93.9 | Very high | 156 Ų | 156 | 76.2 Ų | 76.2 | 59% | 0.589 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.2 | -50.9 | 176 | -74.1 | 175 | 179.5 | -177.3 | -0.8 | 111.4 | T70 E71 I72 A76 K77 T78 | T70-R74 WeakPolarHBondContact O-CG 3.41Å; T70-R74 PolarHBondContact O-N 3.12Å; E71-R74 PolarHBondContact O-N 3.41Å; E71-R74 VanDerWaalsContact O-N 3.14Å; E71-R74 IonicContact OE2-NH1 3.83Å; I72-R74 PolarHBondContact O-N 3.36Å; R74-A76 PolarHBondContact O-N 3.47Å; R74-K77 WeakPolarHBondContact O-CB 3.4Å; R74-K77 PolarHBondContact O-N 2.95Å; R74-T78 PolarHBondContact O-N 3.01Å; R74-T78 PolarHBondContact O-OG1 2.89Å |
| 75 | C | 93.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 74.7 Ų | 74.7 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 178.5 | -68 | 0 | 0 | 0 | 0 | 111.4 | E71 I72 K77 T78 Y79 T96 | E71-C75 PolarHBondContact O-N 3.45Å; E71-C75 PolarHBondContact O-SG 3.39Å; I72-C75 PolarHBondContact O-N 2.96Å; C75-K77 VanDerWaalsContact C-N 3.29Å; C75-K77 PolarHBondContact O-N 3.37Å; C75-T78 PolarHBondContact O-N 2.78Å; C75-Y79 WeakPolarHBondContact O-CD2 3.44Å; C75-Y79 PolarHBondContact O-N 3.49Å; C75-T96 HydrophobicContact CB-CG2 3.44Å; C75-T96 VanDerWaalsContact CB-CG2 3.44Å |
| 76 | A | 94.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 77.9 Ų | 77.9 | 7% | 0.066 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I72 R74 Y79 C80 P88 T96 | I72-A76 WeakPolarHBondContact O-CB 3.34Å; I72-A76 PolarHBondContact O-N 2.76Å; R74-A76 PolarHBondContact O-N 3.47Å; A76-Y79 PolarHBondContact O-N 2.85Å; A76-C80 PolarHBondContact O-N 3.47Å; A76-P88 HydrophobicContact CB-CB 4.34Å; A76-P88 HydrophobicContact CB-CG 4.38Å; A76-T96 WeakPolarHBondContact CA-OG1 3.42Å; A76-T96 HydrophobicContact CB-CG2 4.39Å |
| 77 | K | 93.4 | Very high | 93.4 | Very high | 117 Ų | 117 | 79.9 Ų | 79.9 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 173.7 | 177.9 | -177.3 | 169.8 | -174.7 | 0 | 111.5 | G73 R74 C75 Y79 C80 E81 | G73-K77 VanDerWaalsContact O-CB 3.26Å; G73-K77 WeakPolarHBondContact O-CB 3.36Å; G73-K77 PolarHBondContact O-N 3.38Å; R74-K77 WeakPolarHBondContact O-CB 3.4Å; R74-K77 PolarHBondContact O-N 2.95Å; C75-K77 VanDerWaalsContact C-N 3.29Å; C75-K77 PolarHBondContact O-N 3.37Å; K77-Y79 VanDerWaalsContact C-N 3.27Å; K77-Y79 PolarHBondContact O-N 3.31Å; K77-C80 PolarHBondContact O-N 3.05Å; K77-C80 PolarHBondContact O-SG 3.36Å; K77-E81 WeakPolarHBondContact CE-OE1 3.32Å; K77-E81 HydrophobicContact CG-CG 4.4Å; K77-E81 IonicContact NZ-OE1 3.74Å; K77-E81 WeakPolarHBondContact O-CB 3.46Å; K77-E81 VanDerWaalsContact O-CG 3.31Å; K77-E81 WeakPolarHBondContact O-CG 3.46Å; K77-E81 PolarHBondContact O-N 3.03Å |
| 78 | T | 91.5 | Very high | 93.3 | Very high | 69 Ų | 69 | 79.4 Ų | 79.4 | 42% | 0.423 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 177.6 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | R74 C75 E81 H82 | R74-T78 PolarHBondContact O-N 3.01Å; R74-T78 PolarHBondContact O-OG1 2.89Å; C75-T78 PolarHBondContact O-N 2.78Å; T78-E81 PolarHBondContact O-N 3.32Å; T78-H82 PolarHBondContact O-CD2 3.42Å; T78-H82 PolarHBondContact O-N 3.24Å; T78-H82 VanDerWaalsContact O-N 3.14Å |
| 79 | Y | 89.9 | Confident | 93.2 | Very high | 72 Ų | 72 | 77.3 Ų | 77.3 | 28% | 0.282 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.7 | -90.2 | -70.3 | 0 | 0 | 0 | 113.7 | C75 A76 K77 H82 V95 E99 | C75-Y79 WeakPolarHBondContact O-CD2 3.44Å; C75-Y79 PolarHBondContact O-N 3.49Å; A76-Y79 PolarHBondContact O-N 2.85Å; K77-Y79 VanDerWaalsContact C-N 3.27Å; K77-Y79 PolarHBondContact O-N 3.31Å; Y79-H82 PolarHBondContact O-N 3.47Å; Y79-V95 HydrophobicContact CD1-CG1 4.23Å; Y79-V95 HydrophobicContact CE1-CG1 3.75Å; Y79-V95 HydrophobicContact CE2-CG1 4.34Å; Y79-E99 HydrophobicContact CE2-CB 4.38Å; Y79-E99 HydrophobicContact CE2-CG 4.34Å |
| 80 | C | 93.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 178.5 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | A76 K77 H82 T83 A84 R85 P88 | A76-C80 PolarHBondContact O-N 3.47Å; K77-C80 PolarHBondContact O-N 3.05Å; K77-C80 PolarHBondContact O-SG 3.36Å; C80-H82 VanDerWaalsContact C-N 3.32Å; C80-H82 PolarHBondContact O-N 2.64Å; C80-T83 CarbonylContact O-C 3.23Å; C80-T83 PolarHBondContact O-N 3.21Å; C80-T83 PolarHBondContact O-OG1 3.48Å; C80-A84 PolarHBondContact O-N 2.74Å; C80-R85 CarbonylContact C-O 3.59Å; C80-R85 VanDerWaalsContact C-O 3.23Å; C80-R85 HydrophobicContact CB-CB 4.37Å; C80-R85 PolarHBondContact O-N 3.46Å; C80-R85 VanDerWaalsContact O-N 3.07Å; C80-R85 PolarHBondContact SG-O 2.9Å; C80-P88 HydrophobicContact CB-CG 4.39Å |
| 81 | E | 93.6 | Very high | 92.9 | Very high | 102 Ų | 102 | 80.2 Ų | 80.2 | 48% | 0.477 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.1 | -32.9 | 176.5 | -74.9 | 177.4 | 167.8 | 0 | 0 | 112.7 | K77 T78 T83 A84 R85 | K77-E81 WeakPolarHBondContact CE-OE1 3.32Å; K77-E81 HydrophobicContact CG-CG 4.4Å; K77-E81 IonicContact NZ-OE1 3.74Å; K77-E81 WeakPolarHBondContact O-CB 3.46Å; K77-E81 VanDerWaalsContact O-CG 3.31Å; K77-E81 WeakPolarHBondContact O-CG 3.46Å; K77-E81 PolarHBondContact O-N 3.03Å; T78-E81 PolarHBondContact O-N 3.32Å; E81-T83 PolarHBondContact O-N 2.97Å; E81-T83 VanDerWaalsContact O-N 3.11Å; E81-A84 PolarHBondContact O-N 3.02Å; E81-R85 PolarHBondContact N-O 3.11Å |
| 82 | H | 91.3 | Very high | 92.8 | Very high | 146 Ų | 146 | 77.1 Ų | 77.1 | 68% | 0.676 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.4 | 172 | -73.6 | -54.5 | 0 | 0 | 0 | 113.5 | T78 Y79 C80 | T78-H82 PolarHBondContact O-CD2 3.42Å; T78-H82 PolarHBondContact O-N 3.24Å; T78-H82 VanDerWaalsContact O-N 3.14Å; Y79-H82 PolarHBondContact O-N 3.47Å; C80-H82 VanDerWaalsContact C-N 3.32Å; C80-H82 PolarHBondContact O-N 2.64Å |
| 83 | T | 89.7 | Confident | 92.6 | Very high | 76 Ų | 76 | 77.7 Ų | 77.7 | 47% | 0.466 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 15 | 177 | 61 | 0 | 0 | 0 | 0 | 113.1 | C80 E81 R85 | C80-T83 CarbonylContact O-C 3.23Å; C80-T83 PolarHBondContact O-N 3.21Å; C80-T83 PolarHBondContact O-OG1 3.48Å; E81-T83 PolarHBondContact O-N 2.97Å; E81-T83 VanDerWaalsContact O-N 3.11Å; T83-R85 PolarHBondContact O-N 3.43Å; T83-R85 VanDerWaalsContact OG1-CZ 3.3Å; T83-R85 PolarHBondContact OG1-NE 2.58Å; T83-R85 PolarHBondContact OG1-NH2 3.03Å |
| 84 | A | 92.3 | Very high | 92.6 | Very high | 100 Ų | 100 | 78.2 Ų | 78.2 | 83% | 0.826 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 25.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | C80 E81 | C80-A84 PolarHBondContact O-N 2.74Å; E81-A84 PolarHBondContact O-N 3.02Å |
| 85 | R | 92.2 | Very high | 92.6 | Very high | 87 Ų | 87 | 74 Ų | 74 | 33% | 0.328 | 42% | 0.422 | S | S | . | . | trans | -101.1 | 144.9 | 174.5 | -68.6 | 179.5 | -68.6 | 148.7 | 8.2 | 110.1 | C80 E81 T83 T89 D92 | C80-R85 CarbonylContact C-O 3.59Å; C80-R85 VanDerWaalsContact C-O 3.23Å; C80-R85 HydrophobicContact CB-CB 4.37Å; C80-R85 PolarHBondContact O-N 3.46Å; C80-R85 VanDerWaalsContact O-N 3.07Å; C80-R85 PolarHBondContact SG-O 2.9Å; E81-R85 PolarHBondContact N-O 3.11Å; T83-R85 PolarHBondContact O-N 3.43Å; T83-R85 VanDerWaalsContact OG1-CZ 3.3Å; T83-R85 PolarHBondContact OG1-NE 2.58Å; T83-R85 PolarHBondContact OG1-NH2 3.03Å; R85-T89 PolarHBondContact NH1-OG1 2.94Å; R85-D92 IonicContact CZ-OD1 3.46Å; R85-D92 IonicContact CZ-OD2 2.58Å; R85-D92 IonicContact NH1-OD1 3.17Å; R85-D92 IonicContact NH1-OD2 3.05Å; R85-D92 PolarHBondContact NH1-OD2 3.48Å; R85-D92 VanDerWaalsContact NH1-OD2 3.17Å; R85-D92 IonicContact NH2-OD1 3.98Å; R85-D92 PolarHBondContact NH2-OD1 3Å; R85-D92 IonicContact NH2-OD2 3.15Å; R85-D92 PolarHBondContact NH2-OD2 3.46Å; R85-D92 VanDerWaalsContact NH2-OD2 3.15Å | ||
| 86 | S | 91.4 | Very high | 92.6 | Very high | 111 Ų | 111 | 72.4 Ų | 72.4 | 78% | 0.776 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -95.7 | -15.1 | 175.3 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 87 | V | 93.1 | Very high | 92.6 | Very high | 104 Ų | 104 | 73.4 Ų | 73.4 | 63% | 0.63 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -114.4 | 117 | -177.1 | -177 | 0 | 0 | 0 | 0 | 109.3 | ||
| 88 | P | 93.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 72.5 Ų | 72.5 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | trans | -62.5 | 135.8 | 173.5 | -21.8 | 32.6 | 0 | 0 | 0 | 111.8 | A76 C80 | A76-P88 HydrophobicContact CB-CB 4.34Å; A76-P88 HydrophobicContact CB-CG 4.38Å; C80-P88 HydrophobicContact CB-CG 4.39Å | ||
| 89 | T | 93.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 75.5 Ų | 75.5 | 36% | 0.362 | 43% | 0.425 | S | S | . | . | trans | -95.4 | 170.6 | 172 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | R85 S91 D92 T93 | R85-T89 PolarHBondContact NH1-OG1 2.94Å; T89-S91 VanDerWaalsContact C-N 3.28Å; T89-S91 PolarHBondContact O-N 3.45Å; T89-D92 WeakPolarHBondContact CA-OD2 3.33Å; T89-D92 WeakPolarHBondContact CB-OD2 3.33Å; T89-D92 PolarHBondContact N-OD2 3.41Å; T89-D92 WeakPolarHBondContact O-CB 3.47Å; T89-D92 PolarHBondContact O-N 3.22Å; T89-D92 VanDerWaalsContact O-N 3.14Å; T89-D92 VanDerWaalsContact OG1-CG 3.24Å; T89-D92 PolarHBondContact OG1-OD2 3.03Å; T89-T93 PolarHBondContact O-N 3.23Å; T89-T93 VanDerWaalsContact O-N 3.15Å; T89-T93 PolarHBondContact O-OG1 3.09Å | ||
| 90 | L | 93 | Very high | 93 | Very high | 142 Ų | 142 | 74.7 Ų | 74.7 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.5 | -42.8 | 178.2 | -178.4 | 62.5 | 0 | 0 | 0 | 111.9 | D92 T93 V94 | L90-D92 VanDerWaalsContact C-N 3.32Å; L90-D92 PolarHBondContact O-N 3.16Å; L90-T93 WeakPolarHBondContact O-CB 3.35Å; L90-T93 PolarHBondContact O-N 3Å; L90-T93 VanDerWaalsContact O-N 3.14Å; L90-V94 WeakPolarHBondContact O-CG2 3.22Å; L90-V94 PolarHBondContact O-N 3.12Å |
| 91 | S | 91.5 | Very high | 93 | Very high | 85 Ų | 85 | 78 Ų | 78 | 59% | 0.594 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.6 | -39.8 | 178 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | T89 T93 V94 V95 | T89-S91 VanDerWaalsContact C-N 3.28Å; T89-S91 PolarHBondContact O-N 3.45Å; S91-T93 VanDerWaalsContact C-N 3.26Å; S91-T93 PolarHBondContact O-N 3.2Å; S91-V94 PolarHBondContact O-N 3.06Å; S91-V95 WeakPolarHBondContact O-CG2 3.38Å; S91-V95 PolarHBondContact O-N 2.93Å |
| 92 | D | 93.5 | Very high | 93.1 | Very high | 16 Ų | 16 | 76.5 Ų | 76.5 | 9% | 0.086 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.3 | -37 | 176.9 | -52.1 | -45.5 | 0 | 0 | 0 | 110.6 | R85 T89 L90 T96 | R85-D92 IonicContact CZ-OD1 3.46Å; R85-D92 IonicContact CZ-OD2 2.58Å; R85-D92 IonicContact NH1-OD1 3.17Å; R85-D92 IonicContact NH1-OD2 3.05Å; R85-D92 PolarHBondContact NH1-OD2 3.48Å; R85-D92 VanDerWaalsContact NH1-OD2 3.17Å; R85-D92 IonicContact NH2-OD1 3.98Å; R85-D92 PolarHBondContact NH2-OD1 3Å; R85-D92 IonicContact NH2-OD2 3.15Å; R85-D92 PolarHBondContact NH2-OD2 3.46Å; R85-D92 VanDerWaalsContact NH2-OD2 3.15Å; T89-D92 WeakPolarHBondContact CA-OD2 3.33Å; T89-D92 WeakPolarHBondContact CB-OD2 3.33Å; T89-D92 PolarHBondContact N-OD2 3.41Å; T89-D92 WeakPolarHBondContact O-CB 3.47Å; T89-D92 PolarHBondContact O-N 3.22Å; T89-D92 VanDerWaalsContact O-N 3.14Å; T89-D92 VanDerWaalsContact OG1-CG 3.24Å; T89-D92 PolarHBondContact OG1-OD2 3.03Å; L90-D92 VanDerWaalsContact C-N 3.32Å; L90-D92 PolarHBondContact O-N 3.16Å; D92-T96 VanDerWaalsContact O-CB 3.29Å; D92-T96 WeakPolarHBondContact O-CB 3.48Å; D92-T96 PolarHBondContact O-N 3.39Å; D92-T96 PolarHBondContact O-OG1 2.91Å |
| 93 | T | 92.5 | Very high | 93.3 | Very high | 50 Ų | 50 | 73.9 Ų | 73.9 | 31% | 0.307 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 177.1 | -48.8 | 0 | 0 | 0 | 0 | 111.6 | T89 L90 S91 T96 L97 | T89-T93 PolarHBondContact O-N 3.23Å; T89-T93 VanDerWaalsContact O-N 3.15Å; T89-T93 PolarHBondContact O-OG1 3.09Å; L90-T93 WeakPolarHBondContact O-CB 3.35Å; L90-T93 PolarHBondContact O-N 3Å; L90-T93 VanDerWaalsContact O-N 3.14Å; S91-T93 VanDerWaalsContact C-N 3.26Å; S91-T93 PolarHBondContact O-N 3.2Å; T93-T96 PolarHBondContact O-N 2.77Å; T93-L97 WeakPolarHBondContact O-CG 3.14Å; T93-L97 PolarHBondContact O-N 3.09Å |
| 94 | V | 94.1 | Very high | 93.5 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 33% | 0.327 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 176 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L90 S91 T96 L97 I98 V104 | L90-V94 WeakPolarHBondContact O-CG2 3.22Å; L90-V94 PolarHBondContact O-N 3.12Å; S91-V94 PolarHBondContact O-N 3.06Å; V94-T96 VanDerWaalsContact C-N 3.31Å; V94-T96 PolarHBondContact O-N 3.32Å; V94-L97 PolarHBondContact O-N 3.45Å; V94-I98 HydrophobicContact CG1-CD1 3.86Å; V94-I98 WeakPolarHBondContact O-CG1 3.48Å; V94-I98 PolarHBondContact O-N 3.12Å; V94-V104 HydrophobicContact CG1-CG1 4.38Å; V94-V104 HydrophobicContact CG1-CG2 4.34Å |
| 95 | V | 92.9 | Very high | 93.6 | Very high | 66 Ų | 66 | 73 Ų | 73 | 40% | 0.4 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | Y79 S91 L97 I98 E99 | Y79-V95 HydrophobicContact CD1-CG1 4.23Å; Y79-V95 HydrophobicContact CE1-CG1 3.75Å; Y79-V95 HydrophobicContact CE2-CG1 4.34Å; S91-V95 WeakPolarHBondContact O-CG2 3.38Å; S91-V95 PolarHBondContact O-N 2.93Å; V95-L97 PolarHBondContact O-N 3.34Å; V95-I98 PolarHBondContact O-N 3.43Å; V95-E99 WeakPolarHBondContact O-CB 3.13Å; V95-E99 PolarHBondContact O-N 3.21Å |
| 96 | T | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 176.2 | -62 | 0 | 0 | 0 | 0 | 112.1 | I72 C75 A76 D92 T93 V94 E99 M100 | I72-T96 HydrophobicContact CG2-CG2 4.38Å; C75-T96 HydrophobicContact CB-CG2 3.44Å; C75-T96 VanDerWaalsContact CB-CG2 3.44Å; A76-T96 WeakPolarHBondContact CA-OG1 3.42Å; A76-T96 HydrophobicContact CB-CG2 4.39Å; D92-T96 VanDerWaalsContact O-CB 3.29Å; D92-T96 WeakPolarHBondContact O-CB 3.48Å; D92-T96 PolarHBondContact O-N 3.39Å; D92-T96 PolarHBondContact O-OG1 2.91Å; T93-T96 PolarHBondContact O-N 2.77Å; V94-T96 VanDerWaalsContact C-N 3.31Å; V94-T96 PolarHBondContact O-N 3.32Å; T96-E99 PolarHBondContact O-N 3.13Å; T96-M100 HydrophobicContact CG2-SD 4.11Å; T96-M100 VanDerWaalsContact O-CG 3.27Å; T96-M100 WeakPolarHBondContact O-CG 3.41Å; T96-M100 PolarHBondContact O-N 3.5Å |
| 97 | L | 94.5 | Very high | 93.8 | Very high | 29 Ų | 29 | 70.2 Ų | 70.2 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 178.3 | -71.9 | 173.9 | 0 | 0 | 0 | 112.1 | I72 T93 V94 V95 M100 G101 F102 V104 | I72-L97 HydrophobicContact CD1-CD2 4.35Å; T93-L97 WeakPolarHBondContact O-CG 3.14Å; T93-L97 PolarHBondContact O-N 3.09Å; V94-L97 PolarHBondContact O-N 3.45Å; V95-L97 PolarHBondContact O-N 3.34Å; L97-M100 PolarHBondContact O-N 3.46Å; L97-G101 PolarHBondContact O-N 3.07Å; L97-F102 HydrophobicContact CB-CB 4.37Å; L97-F102 HydrophobicContact CB-CD1 4.25Å; L97-F102 HydrophobicContact CD1-CD1 4.45Å; L97-F102 WeakPolarHBondContact O-CB 3.44Å; L97-F102 PolarHBondContact O-N 2.97Å; L97-V104 HydrophobicContact CB-CG1 3.91Å; L97-V104 HydrophobicContact CD1-CG1 4.17Å |
| 98 | I | 94.8 | Very high | 93.7 | Very high | 97 Ų | 97 | 68.9 Ų | 68.9 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.5 | -66.9 | 166.6 | 0 | 0 | 0 | 110.5 | V94 V95 M100 G101 V104 | V94-I98 HydrophobicContact CG1-CD1 3.86Å; V94-I98 WeakPolarHBondContact O-CG1 3.48Å; V94-I98 PolarHBondContact O-N 3.12Å; V95-I98 PolarHBondContact O-N 3.43Å; I98-M100 VanDerWaalsContact C-N 3.29Å; I98-M100 PolarHBondContact O-N 2.99Å; I98-G101 WeakPolarHBondContact O-CA 3.38Å; I98-G101 PolarHBondContact O-N 3.37Å; I98-V104 HydrophobicContact CD1-CG2 4.31Å; I98-V104 HydrophobicContact CG1-CG1 4.21Å; I98-V104 HydrophobicContact CG1-CG2 4.35Å |
| 99 | E | 93.3 | Very high | 93.6 | Very high | 133 Ų | 133 | 71.4 Ų | 71.4 | 62% | 0.621 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61 | -38.4 | 176.5 | -173.4 | 63.9 | -162 | 0 | 0 | 111.8 | Y79 V95 T96 G101 | Y79-E99 HydrophobicContact CE2-CB 4.38Å; Y79-E99 HydrophobicContact CE2-CG 4.34Å; V95-E99 WeakPolarHBondContact O-CB 3.13Å; V95-E99 PolarHBondContact O-N 3.21Å; T96-E99 PolarHBondContact O-N 3.13Å; E99-G101 PolarHBondContact O-N 2.95Å |
| 100 | M | 93.6 | Very high | 93.4 | Very high | 54 Ų | 54 | 74.4 Ų | 74.4 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 5 | 174.1 | -65.3 | -178.4 | 84.3 | 0 | 0 | 113.7 | Y68 E71 I72 T96 L97 I98 | Y68-M100 HydrophobicContact CD2-CE 3.78Å; Y68-M100 HydrophobicContact CE2-CE 3.4Å; Y68-M100 HydrophobicContact CE2-SD 4.48Å; E71-M100 HydrophobicContact CB-CE 3.97Å; E71-M100 HydrophobicContact CG-CE 3.93Å; I72-M100 HydrophobicContact CB-SD 4.25Å; I72-M100 HydrophobicContact CG1-CE 3.93Å; I72-M100 HydrophobicContact CG1-SD 3.48Å; I72-M100 WeakPolarHBondContact CG1-SD 3.4Å; T96-M100 HydrophobicContact CG2-SD 4.11Å; T96-M100 VanDerWaalsContact O-CG 3.27Å; T96-M100 WeakPolarHBondContact O-CG 3.41Å; T96-M100 PolarHBondContact O-N 3.5Å; L97-M100 PolarHBondContact O-N 3.46Å; I98-M100 VanDerWaalsContact C-N 3.29Å; I98-M100 PolarHBondContact O-N 2.99Å |
| 101 | G | 94.8 | Very high | 93.2 | Very high | 71 Ų | 71 | 69.8 Ų | 69.8 | 73% | 0.732 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 19.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L97 I98 E99 | L97-G101 PolarHBondContact O-N 3.07Å; I98-G101 WeakPolarHBondContact O-CA 3.38Å; I98-G101 PolarHBondContact O-N 3.37Å; E99-G101 PolarHBondContact O-N 2.95Å |
| 102 | F | 95.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 74.3 Ų | 74.3 | 31% | 0.307 | 41% | 0.411 | S | S | . | . | trans | -98.3 | 130.9 | -179.5 | -177.9 | -95.4 | 0 | 0 | 0 | 112.6 | L97 V104 L107 | L97-F102 HydrophobicContact CB-CB 4.37Å; L97-F102 HydrophobicContact CB-CD1 4.25Å; L97-F102 HydrophobicContact CD1-CD1 4.45Å; L97-F102 WeakPolarHBondContact O-CB 3.44Å; L97-F102 PolarHBondContact O-N 2.97Å; F102-V104 HydrophobicContact CD1-CG1 4.17Å; F102-V104 PolarHBondContact O-N 2.68Å; F102-L107 HydrophobicContact CE1-CD1 3.97Å; F102-L107 HydrophobicContact CE1-CD2 3.83Å; F102-L107 HydrophobicContact CE1-CG 3.67Å; F102-L107 HydrophobicContact CZ-CD2 3.84Å; F102-L107 HydrophobicContact CZ-CG 4.05Å | ||
| 103 | N | 95.6 | Very high | 92.7 | Very high | 91 Ų | 91 | 76.5 Ų | 76.5 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | trans | -83 | 100.8 | 176.3 | -175.2 | -10.9 | 0 | 0 | 0 | 111.5 | D105 T106 | N103-D105 PolarHBondContact O-N 3.3Å; N103-D105 WeakPolarHBondContact OD1-CB 3.44Å; N103-D105 PolarHBondContact OD1-N 3.12Å; N103-T106 HydrophobicContact CB-CG2 4.23Å; N103-T106 PolarHBondContact O-N 2.97Å; N103-T106 PolarHBondContact O-OG1 2.84Å | ||
| 104 | V | 94.3 | Very high | 91.8 | Very high | 28 Ų | 28 | 79.6 Ų | 79.6 | 17% | 0.17 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -63.3 | -23.4 | -178 | -64.6 | 0 | 0 | 0 | 0 | 114.5 | V94 L97 I98 F102 T106 L107 | V94-V104 HydrophobicContact CG1-CG1 4.38Å; V94-V104 HydrophobicContact CG1-CG2 4.34Å; L97-V104 HydrophobicContact CB-CG1 3.91Å; L97-V104 HydrophobicContact CD1-CG1 4.17Å; I98-V104 HydrophobicContact CD1-CG2 4.31Å; I98-V104 HydrophobicContact CG1-CG1 4.21Å; I98-V104 HydrophobicContact CG1-CG2 4.35Å; F102-V104 HydrophobicContact CD1-CG1 4.17Å; F102-V104 PolarHBondContact O-N 2.68Å; V104-T106 PolarHBondContact O-N 3.13Å; V104-L107 HydrophobicContact CB-CD1 4.31Å; V104-L107 HydrophobicContact CG1-CD1 4.47Å; V104-L107 WeakPolarHBondContact O-CB 3.26Å; V104-L107 PolarHBondContact O-N 3.08Å; V104-L107 VanDerWaalsContact O-N 3.11Å |
| 105 | D | 94.4 | Very high | 90.8 | Very high | 130 Ų | 130 | 83.2 Ų | 83.2 | 70% | 0.695 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -67.4 | -18.4 | 179.6 | -61.9 | -38.7 | 0 | 0 | 0 | 112.4 | N103 P108 | N103-D105 PolarHBondContact O-N 3.3Å; N103-D105 WeakPolarHBondContact OD1-CB 3.44Å; N103-D105 PolarHBondContact OD1-N 3.12Å; D105-P108 WeakPolarHBondContact O-CD 3.44Å |
| 106 | T | 94.6 | Very high | 90 | Very high | 61 Ų | 61 | 86.8 Ų | 86.8 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -80.4 | -17 | 177.2 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | N103 V104 V109 Y110 | N103-T106 HydrophobicContact CB-CG2 4.23Å; N103-T106 PolarHBondContact O-N 2.97Å; N103-T106 PolarHBondContact O-OG1 2.84Å; V104-T106 PolarHBondContact O-N 3.13Å; T106-V109 PolarHBondContact O-N 3.44Å; T106-V109 VanDerWaalsContact O-N 3.15Å; T106-Y110 PolarHBondContact O-N 3.25Å |
| 107 | L | 91.8 | Very high | 89.1 | Confident | 77 Ų | 77 | 91.5 Ų | 91.5 | 40% | 0.403 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | -177 | -74.4 | 166.9 | 0 | 0 | 0 | 113.6 | F102 V104 V109 Y110 A111 | F102-L107 HydrophobicContact CE1-CD1 3.97Å; F102-L107 HydrophobicContact CE1-CD2 3.83Å; F102-L107 HydrophobicContact CE1-CG 3.67Å; F102-L107 HydrophobicContact CZ-CD2 3.84Å; F102-L107 HydrophobicContact CZ-CG 4.05Å; V104-L107 HydrophobicContact CB-CD1 4.31Å; V104-L107 HydrophobicContact CG1-CD1 4.47Å; V104-L107 WeakPolarHBondContact O-CB 3.26Å; V104-L107 PolarHBondContact O-N 3.08Å; V104-L107 VanDerWaalsContact O-N 3.11Å; L107-V109 VanDerWaalsContact C-N 3.26Å; L107-V109 PolarHBondContact O-N 3.13Å; L107-Y110 PolarHBondContact O-N 3.07Å; L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.29Å; L107-A111 PolarHBondContact O-N 3.33Å |
| 108 | P | 92.1 | Very high | 88.1 | Confident | 76 Ų | 76 | 96.7 Ų | 96.7 | 49% | 0.494 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -32.7 | 178 | -22.6 | 35.1 | 0 | 0 | 0 | 112.9 | D105 A111 K112 | D105-P108 WeakPolarHBondContact O-CD 3.44Å; P108-A111 PolarHBondContact O-N 3.4Å; P108-K112 WeakPolarHBondContact O-CG 3.44Å; P108-K112 PolarHBondContact O-N 2.9Å |
| 109 | V | 91.8 | Very high | 87.3 | Confident | 110 Ų | 110 | 95.5 Ų | 95.5 | 67% | 0.667 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.4 | -49.8 | 176.9 | -179 | 0 | 0 | 0 | 0 | 109.8 | T106 L107 A111 K112 | T106-V109 PolarHBondContact O-N 3.44Å; T106-V109 VanDerWaalsContact O-N 3.15Å; L107-V109 VanDerWaalsContact C-N 3.26Å; L107-V109 PolarHBondContact O-N 3.13Å; V109-A111 PolarHBondContact O-N 3.44Å; V109-K112 PolarHBondContact O-N 3.07Å |
| 110 | Y | 89 | Confident | 86.2 | Confident | 122 Ų | 122 | 95 Ų | 95 | 48% | 0.478 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -31.5 | 174.2 | -170.4 | -99.9 | 0 | 0 | 0 | 111.6 | T106 L107 K112 R113 | T106-Y110 PolarHBondContact O-N 3.25Å; L107-Y110 PolarHBondContact O-N 3.07Å; Y110-K112 VanDerWaalsContact C-N 3.3Å; Y110-K112 PolarHBondContact O-N 2.97Å; Y110-R113 VanDerWaalsContact CE1-NE 3.32Å; Y110-R113 WeakPolarHBondContact O-CD 3.28Å; Y110-R113 WeakPolarHBondContact O-CG 3.4Å; Y110-R113 PolarHBondContact O-N 3.48Å; Y110-R113 PolarHBondContact OH-NE 2.9Å; Y110-R113 PolarHBondContact OH-NH2 3Å; Y110-R113 VanDerWaalsContact OH-NH2 3.11Å |
| 111 | A | 88.3 | Confident | 84.9 | Confident | 46 Ų | 46 | 96.2 Ų | 96.2 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.3 | -24.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L107 P108 V109 R116 | L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.29Å; L107-A111 PolarHBondContact O-N 3.33Å; P108-A111 PolarHBondContact O-N 3.4Å; V109-A111 PolarHBondContact O-N 3.44Å; A111-R116 PolarHBondContact O-NE 3.27Å; A111-R116 PolarHBondContact O-NH2 3.32Å |
| 112 | K | 88.7 | Confident | 83.6 | Confident | 180 Ų | 180 | 96 Ų | 96 | 78% | 0.783 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 2.4 | -179.5 | -71.5 | 174.6 | -178.3 | 179.7 | 0 | 114 | P108 V109 Y110 | P108-K112 WeakPolarHBondContact O-CG 3.44Å; P108-K112 PolarHBondContact O-N 2.9Å; V109-K112 PolarHBondContact O-N 3.07Å; Y110-K112 VanDerWaalsContact C-N 3.3Å; Y110-K112 PolarHBondContact O-N 2.97Å |
| 113 | R | 86.4 | Confident | 82.1 | Confident | 62 Ų | 62 | 98.4 Ų | 98.4 | 23% | 0.234 | 54% | 0.544 | C | S | . | . | trans | -58.7 | 138.4 | -179.5 | 70.2 | -165.4 | 173.2 | 79.8 | -22.8 | 112.1 | E47 Y110 R116 | E47-R113 WeakPolarHBondContact OE1-CD 3.49Å; E47-R113 IonicContact OE1-CZ 2.83Å; E47-R113 IonicContact OE1-NE 2.74Å; E47-R113 IonicContact OE1-NH1 2.59Å; E47-R113 PolarHBondContact OE1-NH1 2.96Å; E47-R113 IonicContact OE2-CZ 3.35Å; E47-R113 IonicContact OE2-NH1 3.65Å; E47-R113 PolarHBondContact OE2-NH1 3.46Å; E47-R113 IonicContact OE2-NH2 2.64Å; E47-R113 PolarHBondContact OE2-NH2 3.43Å; Y110-R113 VanDerWaalsContact CE1-NE 3.32Å; Y110-R113 WeakPolarHBondContact O-CD 3.28Å; Y110-R113 WeakPolarHBondContact O-CG 3.4Å; Y110-R113 PolarHBondContact O-N 3.48Å; Y110-R113 PolarHBondContact OH-NE 2.9Å; Y110-R113 PolarHBondContact OH-NH2 3Å; Y110-R113 VanDerWaalsContact OH-NH2 3.11Å; R113-R116 HydrophobicContact CG-CG 3.87Å; R113-R116 WeakPolarHBondContact O-CG 3.41Å | ||
| 114 | S | 72.4 | Confident | 80.6 | Confident | 115 Ų | 115 | 100.3 Ų | 100.3 | 80% | 0.804 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -83.1 | -28.1 | -174.3 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | R116 | S114-R116 PolarHBondContact O-N 2.95Š|
| 115 | Q | 74.6 | Confident | 79.1 | Confident | 130 Ų | 130 | 102.9 Ų | 102.9 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | trans | -84.7 | 38.6 | -177.4 | -63.7 | -65 | -16.5 | 0 | 0 | 113 | E47 M117 | E47-Q115 VanDerWaalsContact CD-O 3.31Å; E47-Q115 HydrophobicContact CG-CB 3.82Å; Q115-M117 PolarHBondContact O-N 3.49Å | ||
| 116 | R | 75.2 | Confident | 77.6 | Confident | 141 Ų | 141 | 103.1 Ų | 103.1 | 53% | 0.532 | 58% | 0.576 | S | S | . | * | trans | -72.3 | 104.1 | 177.7 | -77.8 | 174.7 | 167.4 | -146.4 | -13.7 | 110.1 | A111 R113 S114 V118 | A111-R116 PolarHBondContact O-NE 3.27Å; A111-R116 PolarHBondContact O-NH2 3.32Å; R113-R116 HydrophobicContact CG-CG 3.87Å; R113-R116 WeakPolarHBondContact O-CG 3.41Å; S114-R116 PolarHBondContact O-N 2.95Å; R116-V118 PolarHBondContact O-N 3.42Å | ||
| 117 | M | 75.5 | Confident | 76.4 | Confident | 99 Ų | 99 | 104 Ų | 104 | 49% | 0.488 | 59% | 0.589 | S | S | . | * | trans | -70.8 | 125.9 | 165.6 | -63.4 | -164.5 | 73.8 | 0 | 0 | 109.7 | A43 T46 Q115 I119 | A43-M117 HydrophobicContact CB-CB 4.05Å; A43-M117 HydrophobicContact CB-SD 4.06Å; T46-M117 HydrophobicContact CG2-CE 4.46Å; T46-M117 HydrophobicContact CG2-SD 3.79Å; Q115-M117 PolarHBondContact O-N 3.49Å; M117-I119 PolarHBondContact O-N 3.35Å | ||
| 118 | V | 73.9 | Confident | 75.2 | Confident | 137 Ų | 137 | 104.9 Ų | 104.9 | 83% | 0.83 | 60% | 0.599 | S | S | * | * | trans | -77.8 | 113.9 | 176.1 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | R116 T120 | R116-V118 PolarHBondContact O-N 3.42Å; V118-T120 PolarHBondContact O-N 3.38Å | ||
| 119 | I | 77.1 | Confident | 74.3 | Confident | 72 Ų | 72 | 107.6 Ų | 107.6 | 37% | 0.369 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -80.9 | 118.2 | 175 | -58.1 | 160.5 | 0 | 0 | 0 | 107.2 | V39 V40 M117 A121 | V39-I119 HydrophobicContact CG1-CG2 4.41Å; V40-I119 HydrophobicContact CB-CD1 3.97Å; V40-I119 HydrophobicContact CG1-CD1 3.92Å; V40-I119 HydrophobicContact CG2-CD1 3.52Å; V40-I119 HydrophobicContact CG2-CG1 4.41Å; V40-I119 HydrophobicContact CG2-CG2 4.14Å; M117-I119 PolarHBondContact O-N 3.35Å; I119-A121 PolarHBondContact O-N 3.2Å |
| 120 | T | 70.9 | Confident | 73.5 | Confident | 123 Ų | 123 | 108 Ų | 108 | 76% | 0.755 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -65 | 129.8 | 176 | -58.7 | 0 | 0 | 0 | 0 | 108.8 | V118 | V118-T120 PolarHBondContact O-N 3.38Š|
| 121 | A | 66.7 | Low | 72.6 | Confident | 79 Ų | 79 | 108 Ų | 108 | 65% | 0.653 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 139.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I119 | I119-A121 PolarHBondContact O-N 3.2Š|
| 122 | P | 66.9 | Low | 71.7 | Confident | 67 Ų | 67 | 115.4 Ų | 115.4 | 44% | 0.435 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 139.5 | 177 | 22 | -30.2 | 0 | 0 | 0 | 109.5 | T36 V124 | T36-P122 HydrophobicContact CG2-CB 4.38Å; T36-P122 HydrophobicContact CG2-CG 4.26Å; P122-V124 PolarHBondContact O-N 3.41Å; P122-V124 VanDerWaalsContact O-N 3.12Å |
| 123 | P | 64.9 | Low | 70.6 | Confident | 121 Ų | 121 | 111.9 Ų | 111.9 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 122.1 | 177.8 | 21.9 | -30.4 | 0 | 0 | 0 | 109.1 | T125 | P123-T125 PolarHBondContact O-N 2.86Š|
| 124 | V | 62.3 | Low | 69.6 | Low | 131 Ų | 131 | 116.4 Ų | 116.4 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | trans | -69.4 | 101.2 | 173.2 | -173.4 | 0 | 0 | 0 | 0 | 106.7 | P122 N126 | P122-V124 PolarHBondContact O-N 3.41Å; P122-V124 VanDerWaalsContact O-N 3.12Å; V124-N126 PolarHBondContact O-N 3.13Å | ||
| 125 | T | 63.2 | Low | 69.1 | Low | 81 Ų | 81 | 114.6 Ų | 114.6 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | trans | -71.6 | 114.3 | 169.6 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | Y29 P123 A127 | Y29-T125 HydrophobicContact CD1-CG2 3.38Å; Y29-T125 HydrophobicContact CE1-CG2 3.01Å; P123-T125 PolarHBondContact O-N 2.86Å; T125-A127 PolarHBondContact O-N 2.98Å | ||
| 126 | N | 63.9 | Low | 68.5 | Low | 136 Ų | 136 | 110.8 Ų | 110.8 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -58 | 137.7 | 174.2 | -68.1 | -46.1 | 0 | 0 | 0 | 109 | V124 | V124-N126 PolarHBondContact O-N 3.13Š|
| 127 | A | 68.1 | Low | 68.1 | Low | 79 Ų | 79 | 106.9 Ų | 106.9 | 65% | 0.653 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 140 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | T125 V129 | T125-A127 PolarHBondContact O-N 2.98Å; A127-V129 PolarHBondContact O-N 3.33Å |
| 128 | P | 68 | Low | 67.8 | Low | 95 Ų | 95 | 109.8 Ų | 109.8 | 62% | 0.617 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -52 | 122.3 | 175.5 | -22.3 | 31 | 0 | 0 | 0 | 108.8 | T130 | P128-T130 PolarHBondContact O-N 2.87Š|
| 129 | V | 73.4 | Confident | 67.7 | Low | 134 Ų | 134 | 107.4 Ų | 107.4 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | trans | -65.1 | 108.2 | 173.3 | 178.6 | 0 | 0 | 0 | 0 | 105.8 | A127 P131 | A127-V129 PolarHBondContact O-N 3.33Å; V129-P131 WeakPolarHBondContact O-CD 3.49Å; V129-P131 VanDerWaalsContact O-N 3.12Å | ||
| 130 | T | 74 | Confident | 67.7 | Low | 118 Ų | 118 | 112 Ų | 112 | 72% | 0.724 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 118.8 | 171.9 | 50.2 | 0 | 0 | 0 | 0 | 107 | P128 K132 | P128-T130 PolarHBondContact O-N 2.87Å; T130-K132 PolarHBondContact O-N 3.48Å |
| 131 | P | 70.4 | Confident | 68.2 | Low | 121 Ų | 121 | 112.1 Ų | 112.1 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131 | -179.8 | 22.8 | -31.9 | 0 | 0 | 0 | 108.5 | V129 S133 | V129-P131 WeakPolarHBondContact O-CD 3.49Å; V129-P131 VanDerWaalsContact O-N 3.12Å; P131-S133 PolarHBondContact O-N 3.01Å |
| 132 | K | 69.8 | Low | 69.1 | Low | 203 Ų | 203 | 110.6 Ų | 110.6 | 88% | 0.883 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -60 | 116.7 | 175.2 | -73.3 | -178.6 | 179.7 | 178.6 | 0 | 107.4 | T130 L134 | T130-K132 PolarHBondContact O-N 3.48Å; K132-L134 PolarHBondContact O-N 3.4Å |
| 133 | S | 65.8 | Low | 70 | Confident | 105 Ų | 105 | 109.9 Ų | 109.9 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137 | 173 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | P131 S135 | P131-S133 PolarHBondContact O-N 3.01Å; S133-S135 PolarHBondContact O-N 3.23Å; S133-S135 VanDerWaalsContact O-N 3.14Å |
| 134 | L | 64.6 | Low | 71.1 | Confident | 157 Ų | 157 | 110.5 Ų | 110.5 | 82% | 0.822 | 65% | 0.649 | S | S | * | * | trans | -64 | 114.6 | 171.7 | -62.2 | 174.6 | 0 | 0 | 0 | 107 | K132 | K132-L134 PolarHBondContact O-N 3.4Š| ||
| 135 | S | 62 | Low | 72.5 | Confident | 77 Ų | 77 | 111.5 Ų | 111.5 | 54% | 0.538 | 65% | 0.645 | S | S | . | * | trans | -82.5 | 120.8 | 174.7 | -170.3 | 0 | 0 | 0 | 0 | 108.9 | S133 D155 | S133-S135 PolarHBondContact O-N 3.23Å; S133-S135 VanDerWaalsContact O-N 3.14Å; S135-D155 PolarHBondContact OG-OD1 2.99Å | ||
| 136 | A | 62.1 | Low | 73.7 | Confident | 50 Ų | 50 | 109.9 Ų | 109.9 | 41% | 0.413 | 63% | 0.633 | S | S | . | * | trans | -113.2 | 115.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | D155 P156 H157 | A136-D155 PolarHBondContact N-OD1 2.96Å; A136-D155 PolarHBondContact N-OD2 3.13Å; A136-P156 WeakPolarHBondContact O-CD 3.35Å; A136-H157 HydrophobicContact CB-CB 4.47Å | ||
| 137 | G | 66.3 | Low | 75 | Confident | 59 Ų | 59 | 106.2 Ų | 106.2 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 86.5 | -175.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 138 | Q | 70.3 | Confident | 75.8 | Confident | 160 Ų | 160 | 106 Ų | 106 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | trans | -86.1 | 114.8 | 178.9 | -165.5 | 81 | 4.4 | 0 | 0 | 108.6 | R140 | Q138-R140 PolarHBondContact O-N 3.34Š| ||
| 139 | K | 71 | Confident | 76.8 | Confident | 88 Ų | 88 | 108.7 Ų | 108.7 | 38% | 0.383 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 134.2 | 171.4 | -65.3 | -167.9 | -175.7 | -168.5 | 0 | 109.8 | T141 E152 | K139-T141 PolarHBondContact O-N 2.77Å; K139-E152 IonicContact NZ-OE2 3.16Å; K139-E152 PolarHBondContact NZ-OE2 3.36Å |
| 140 | R | 76.3 | Confident | 77.5 | Confident | 168 Ų | 168 | 107.3 Ų | 107.3 | 63% | 0.634 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 129.5 | 174.7 | -62.4 | -175.5 | 84.5 | 176.2 | 6.2 | 108.4 | Q138 F153 Y159 | Q138-R140 PolarHBondContact O-N 3.34Å; R140-F153 HydrophobicContact CB-CD2 4.34Å; R140-Y159 VanDerWaalsContact CD-OH 3.3Å; R140-Y159 WeakPolarHBondContact CD-OH 3.49Å |
| 141 | T | 81.4 | Confident | 78.1 | Confident | 125 Ų | 125 | 106.9 Ų | 106.9 | 77% | 0.767 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 151.9 | 170.6 | 55 | 0 | 0 | 0 | 0 | 109.7 | K139 | K139-T141 PolarHBondContact O-N 2.77Š|
| 142 | H | 85.8 | Confident | 78.8 | Confident | 47 Ų | 47 | 107.6 Ų | 107.6 | 22% | 0.218 | 60% | 0.601 | C | S | . | * | P | Polyproline II helix | trans | -56.4 | 130.5 | 173 | -74.3 | -40.3 | 0 | 0 | 0 | 111.1 | I146 F150 P151 F153 | H142-I146 HydrophobicContact CB-CB 4.09Å; H142-I146 HydrophobicContact CB-CG2 4.21Å; H142-F150 PolarHBondContact NE2-O 3.31Å; H142-P151 PolarHBondContact CE1-O 3.44Å; H142-P151 PolarHBondContact NE2-O 2.9Å; H142-F153 AromaticContact ND1-CD2 3.63Å; H142-F153 AromaticContact ND1-CE2 3.3Å; H142-F153 VanDerWaalsContact ND1-CE2 3.3Å; H142-F153 WeakPolarHBondContact ND1-CE2 3.45Å; H142-F153 AromaticContact ND1-CZ 3.83Å |
| 143 | P | 86.6 | Confident | 79.5 | Confident | 53 Ų | 53 | 101.5 Ų | 101.5 | 34% | 0.344 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -54 | 157.2 | 165.2 | -26.9 | 33.9 | 0 | 0 | 0 | 111.7 | H145 I146 | P143-H145 WeakPolarHBondContact CB-CE1 3.39Å; P143-H145 WeakPolarHBondContact CB-ND1 3.47Å; P143-H145 PolarHBondContact O-N 3Å; P143-I146 HydrophobicContact CG-CD1 4.39Å; P143-I146 PolarHBondContact O-N 2.83Å |
| 144 | S | 88.3 | Confident | 80.3 | Confident | 134 Ų | 134 | 99.8 Ų | 99.8 | 94% | 0.937 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -22.1 | -177.7 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | I146 | S144-I146 VanDerWaalsContact C-N 3.35Š|
| 145 | H | 90.6 | Very high | 81 | Confident | 151 Ų | 151 | 93.3 Ų | 93.3 | 70% | 0.699 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7 | 176.7 | 64.4 | -95.6 | 0 | 0 | 0 | 113.7 | P143 | P143-H145 WeakPolarHBondContact CB-CE1 3.39Å; P143-H145 WeakPolarHBondContact CB-ND1 3.47Å; P143-H145 PolarHBondContact O-N 3Å |
| 146 | I | 89.8 | Confident | 81.8 | Confident | 47 Ų | 47 | 89.8 Ų | 89.8 | 24% | 0.241 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -106.4 | 117.5 | 177.3 | -55.1 | -171.6 | 0 | 0 | 0 | 108.6 | H142 P143 S144 F150 F153 | H142-I146 HydrophobicContact CB-CB 4.09Å; H142-I146 HydrophobicContact CB-CG2 4.21Å; P143-I146 HydrophobicContact CG-CD1 4.39Å; P143-I146 PolarHBondContact O-N 2.83Å; S144-I146 VanDerWaalsContact C-N 3.35Å; I146-F150 HydrophobicContact CG2-CB 4.2Å; I146-F150 HydrophobicContact CG2-CD2 4.21Å; I146-F150 HydrophobicContact CG2-CG 4.41Å; I146-F153 HydrophobicContact CD1-CZ 3.8Å |
| 147 | P | 89.8 | Confident | 82.3 | Confident | 60 Ų | 60 | 93.2 Ų | 93.2 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | trans | -59.5 | 141.5 | 177 | -26.5 | 35.4 | 0 | 0 | 0 | 113.1 | H149 F150 | P147-H149 WeakPolarHBondContact CB-CE1 3.45Å; P147-H149 WeakPolarHBondContact CB-ND1 3.31Å; P147-H149 PolarHBondContact O-N 2.59Å; P147-F150 HydrophobicContact CB-CD2 3.86Å; P147-F150 HydrophobicContact CB-CE2 4Å; P147-F150 HydrophobicContact CG-CD2 4.07Å; P147-F150 HydrophobicContact CG-CE2 3.8Å; P147-F150 WeakPolarHBondContact O-CD2 3.19Å; P147-F150 PolarHBondContact O-N 2.99Å; P147-F150 VanDerWaalsContact O-N 3.16Å | ||
| 148 | G | 85 | Confident | 82.9 | Confident | 73 Ų | 73 | 95.3 Ų | 95.3 | 75% | 0.753 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -6.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116 | F150 | G148-F150 VanDerWaalsContact C-N 3.32Š|
| 149 | H | 88.9 | Confident | 83.2 | Confident | 153 Ų | 153 | 92.7 Ų | 92.7 | 71% | 0.708 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8.5 | 175.1 | 64.2 | -100.4 | 0 | 0 | 0 | 113.2 | P147 | P147-H149 WeakPolarHBondContact CB-CE1 3.45Å; P147-H149 WeakPolarHBondContact CB-ND1 3.31Å; P147-H149 PolarHBondContact O-N 2.59Å |
| 150 | F | 88.6 | Confident | 83.4 | Confident | 105 Ų | 105 | 89.7 Ų | 89.7 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -72.7 | 151 | 173.4 | -78.9 | -82.5 | 0 | 0 | 0 | 111 | H142 I146 P147 G148 E152 | H142-F150 PolarHBondContact NE2-O 3.31Å; I146-F150 HydrophobicContact CG2-CB 4.2Å; I146-F150 HydrophobicContact CG2-CD2 4.21Å; I146-F150 HydrophobicContact CG2-CG 4.41Å; P147-F150 HydrophobicContact CB-CD2 3.86Å; P147-F150 HydrophobicContact CB-CE2 4Å; P147-F150 HydrophobicContact CG-CD2 4.07Å; P147-F150 HydrophobicContact CG-CE2 3.8Å; P147-F150 WeakPolarHBondContact O-CD2 3.19Å; P147-F150 PolarHBondContact O-N 2.99Å; P147-F150 VanDerWaalsContact O-N 3.16Å; G148-F150 VanDerWaalsContact C-N 3.32Å; F150-E152 PolarHBondContact O-N 3.24Å |
| 151 | P | 87.5 | Confident | 83.2 | Confident | 108 Ų | 108 | 88.6 Ų | 88.6 | 70% | 0.701 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 140.6 | 174 | -25.5 | 33.9 | 0 | 0 | 0 | 111.6 | H142 | H142-P151 PolarHBondContact CE1-O 3.44Å; H142-P151 PolarHBondContact NE2-O 2.9Å |
| 152 | E | 84.7 | Confident | 82.6 | Confident | 137 Ų | 137 | 86 Ų | 86 | 64% | 0.64 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 150.1 | 173.9 | -65.8 | -178.1 | 176 | 0 | 0 | 110.6 | K139 F150 | K139-E152 IonicContact NZ-OE2 3.16Å; K139-E152 PolarHBondContact NZ-OE2 3.36Å; F150-E152 PolarHBondContact O-N 3.24Å |
| 153 | F | 83.9 | Confident | 81.6 | Confident | 75 Ų | 75 | 87 Ų | 87 | 33% | 0.329 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 146.2 | 169.1 | -73.1 | -61.8 | 0 | 0 | 0 | 110.8 | R140 H142 I146 | R140-F153 HydrophobicContact CB-CD2 4.34Å; H142-F153 AromaticContact ND1-CD2 3.63Å; H142-F153 AromaticContact ND1-CE2 3.3Å; H142-F153 VanDerWaalsContact ND1-CE2 3.3Å; H142-F153 WeakPolarHBondContact ND1-CE2 3.45Å; H142-F153 AromaticContact ND1-CZ 3.83Å; I146-F153 HydrophobicContact CD1-CZ 3.8Å |
| 154 | P | 83.4 | Confident | 80.7 | Confident | 68 Ų | 68 | 88 Ų | 88 | 44% | 0.442 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 159.9 | 174.4 | 24.2 | -32.7 | 0 | 0 | 0 | 110.9 | T158 Y159 | P154-T158 HydrophobicContact CB-CG2 4.04Å; P154-Y159 HydrophobicContact CG-CD1 4.04Å; P154-Y159 HydrophobicContact CG-CE1 4.32Å; P154-Y159 WeakPolarHBondContact O-CE1 3.47Å |
| 155 | D | 79 | Confident | 79.7 | Confident | 21 Ų | 21 | 88 Ų | 88 | 11% | 0.112 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -61 | 143.5 | -179.3 | -159.1 | 45.9 | 0 | 0 | 0 | 109.9 | S135 A136 H157 T158 | S135-D155 PolarHBondContact OG-OD1 2.99Å; A136-D155 PolarHBondContact N-OD1 2.96Å; A136-D155 PolarHBondContact N-OD2 3.13Å; D155-H157 PolarHBondContact O-N 3.5Å; D155-T158 PolarHBondContact N-OG1 2.77Å; D155-T158 WeakPolarHBondContact O-CB 3.41Å; D155-T158 PolarHBondContact O-N 3.13Å; D155-T158 PolarHBondContact O-OG1 2.97Å |
| 156 | P | 79 | Confident | 78.7 | Confident | 4 Ų | 4 | 90.8 Ų | 90.8 | 3% | 0.026 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -50.2 | -36.8 | -176.7 | -31.2 | 37.1 | 0 | 0 | 0 | 114 | A136 T158 Y159 I160 | A136-P156 WeakPolarHBondContact O-CD 3.35Å; P156-T158 PolarHBondContact O-N 3.38Å; P156-T158 VanDerWaalsContact O-N 3.1Å; P156-Y159 PolarHBondContact O-N 2.99Å; P156-I160 HydrophobicContact CB-CD1 4.01Å; P156-I160 HydrophobicContact CB-CG1 4.45Å; P156-I160 WeakPolarHBondContact O-CA 3.33Å; P156-I160 WeakPolarHBondContact O-CB 3.46Å; P156-I160 VanDerWaalsContact O-CG1 3.31Å; P156-I160 WeakPolarHBondContact O-CG1 3.33Å; P156-I160 PolarHBondContact O-N 3.04Å |
| 157 | H | 71.9 | Confident | 77.5 | Confident | 122 Ų | 122 | 94.4 Ų | 94.4 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.5 | -16.4 | 178.2 | -165.6 | 68.2 | 0 | 0 | 0 | 114.3 | A136 D155 T162 | A136-H157 HydrophobicContact CB-CB 4.47Å; D155-H157 PolarHBondContact O-N 3.5Å; H157-T162 PolarHBondContact ND1-OG1 3.27Å |
| 158 | T | 79.3 | Confident | 76.5 | Confident | 102 Ų | 102 | 96 Ų | 96 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.7 | -34.7 | 177.1 | -42.9 | 0 | 0 | 0 | 0 | 112 | P154 D155 P156 | P154-T158 HydrophobicContact CB-CG2 4.04Å; D155-T158 PolarHBondContact N-OG1 2.77Å; D155-T158 WeakPolarHBondContact O-CB 3.41Å; D155-T158 PolarHBondContact O-N 3.13Å; D155-T158 PolarHBondContact O-OG1 2.97Å; P156-T158 PolarHBondContact O-N 3.38Å; P156-T158 VanDerWaalsContact O-N 3.1Å |
| 159 | Y | 76.6 | Confident | 75.8 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -129.7 | -4.1 | -174 | 63.9 | -90 | 0 | 0 | 0 | 113.6 | R140 P154 P156 | R140-Y159 VanDerWaalsContact CD-OH 3.3Å; R140-Y159 WeakPolarHBondContact CD-OH 3.49Å; P154-Y159 HydrophobicContact CG-CD1 4.04Å; P154-Y159 HydrophobicContact CG-CE1 4.32Å; P154-Y159 WeakPolarHBondContact O-CE1 3.47Å; P156-Y159 PolarHBondContact O-N 2.99Å |
| 160 | I | 75.8 | Confident | 75 | Confident | 25 Ų | 25 | 93.7 Ų | 93.7 | 13% | 0.128 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -111.8 | 110.5 | 176.1 | -54.3 | -171 | 0 | 0 | 0 | 108.4 | P156 T162 Y293 | P156-I160 HydrophobicContact CB-CD1 4.01Å; P156-I160 HydrophobicContact CB-CG1 4.45Å; P156-I160 WeakPolarHBondContact O-CA 3.33Å; P156-I160 WeakPolarHBondContact O-CB 3.46Å; P156-I160 VanDerWaalsContact O-CG1 3.31Å; P156-I160 WeakPolarHBondContact O-CG1 3.33Å; P156-I160 PolarHBondContact O-N 3.04Å; I160-T162 PolarHBondContact O-N 2.79Å; I160-Y293 HydrophobicContact CD1-CD1 4.05Å; I160-Y293 HydrophobicContact CD1-CD2 3.52Å; I160-Y293 HydrophobicContact CD1-CE1 4.35Å; I160-Y293 HydrophobicContact CD1-CE2 3.85Å; I160-Y293 HydrophobicContact CD1-CG 3.63Å; I160-Y293 HydrophobicContact CG2-CD1 4Å; I160-Y293 HydrophobicContact CG2-CG 3.86Å |
| 161 | K | 71 | Confident | 74.9 | Confident | 145 Ų | 145 | 93.9 Ų | 93.9 | 63% | 0.63 | 49% | 0.488 | S | S | * | . | trans | -57.3 | 112 | 170 | -170.1 | -179.7 | -168.5 | -178.4 | 0 | 108.4 | P163 E167 | K161-P163 WeakPolarHBondContact O-CD 3.41Å; K161-E167 IonicContact NZ-OE1 3.43Å; K161-E167 PolarHBondContact NZ-OE1 3.17Å | ||
| 162 | T | 70.1 | Confident | 74.6 | Confident | 70 Ų | 70 | 96 Ų | 96 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | trans | -73.4 | 115.8 | 175.9 | -59 | 0 | 0 | 0 | 0 | 108 | H157 I160 T164 | H157-T162 PolarHBondContact ND1-OG1 3.27Å; I160-T162 PolarHBondContact O-N 2.79Å; T162-T164 PolarHBondContact O-N 3.31Å | ||
| 163 | P | 64.8 | Low | 74.8 | Confident | 67 Ų | 67 | 96.8 Ų | 96.8 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | trans | -64.4 | 112.8 | -178.5 | -22.6 | 36.5 | 0 | 0 | 0 | 109.5 | K161 V297 | K161-P163 WeakPolarHBondContact O-CD 3.41Å; P163-V297 HydrophobicContact CB-CG2 3.25Å; P163-V297 WeakPolarHBondContact O-CG2 3.23Å | ||
| 164 | T | 66.3 | Low | 75 | Confident | 76 Ų | 76 | 96.2 Ų | 96.2 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | trans | -97.9 | 150.3 | 178.3 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | T162 R166 | T162-T164 PolarHBondContact O-N 3.31Å; T164-R166 VanDerWaalsContact C-N 3.34Å; T164-R166 PolarHBondContact O-N 3.44Å; T164-R166 PolarHBondContact OG1-O 3.23Å | ||
| 165 | F | 67.6 | Low | 75.2 | Confident | 133 Ų | 133 | 96.6 Ų | 96.6 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -67.6 | -34.9 | -177.7 | 173 | -104.3 | 0 | 0 | 0 | 113.1 | K299 | F165-K299 HydrophobicContact CE2-CD 4.42Å; F165-K299 HydrophobicContact CE2-CG 4.1Å |
| 166 | R | 70.1 | Confident | 75.7 | Confident | 210 Ų | 210 | 103.1 Ų | 103.1 | 79% | 0.792 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -109.5 | 98.8 | 168.6 | -72.7 | -174.3 | 178.1 | 176.8 | -0.6 | 106.3 | T164 P168 | T164-R166 VanDerWaalsContact C-N 3.34Å; T164-R166 PolarHBondContact O-N 3.44Å; T164-R166 PolarHBondContact OG1-O 3.23Å; R166-P168 WeakPolarHBondContact O-CD 3.33Å |
| 167 | E | 65.2 | Low | 76.3 | Confident | 122 Ų | 122 | 108.6 Ų | 108.6 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | trans | -60.5 | 127.1 | 172.9 | -163.3 | 159.7 | -155 | 0 | 0 | 107.9 | K161 V169 | K161-E167 IonicContact NZ-OE1 3.43Å; K161-E167 PolarHBondContact NZ-OE1 3.17Å; E167-V169 PolarHBondContact O-N 3.14Å | ||
| 168 | P | 67.6 | Low | 77.3 | Confident | 94 Ų | 94 | 110.2 Ų | 110.2 | 61% | 0.61 | 54% | 0.544 | S | S | * | . | trans | -54 | 138.2 | 168.8 | -21.3 | 32 | 0 | 0 | 0 | 108.3 | R166 S170 | R166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-S170 PolarHBondContact O-N 3.49Å | ||
| 169 | V | 70.8 | Confident | 77.7 | Confident | 91 Ų | 91 | 108 Ų | 108 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | trans | -62.9 | 101.8 | 174.7 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | E167 D171 V174 V175 | E167-V169 PolarHBondContact O-N 3.14Å; V169-D171 HydrophobicContact CG1-CB 4.26Å; V169-V174 HydrophobicContact CG1-CB 3.7Å; V169-V174 HydrophobicContact CG1-CG1 3.66Å; V169-V174 HydrophobicContact CG1-CG2 4.36Å; V169-V175 WeakPolarHBondContact O-CG2 3.3Å | ||
| 170 | S | 71.4 | Confident | 78.4 | Confident | 87 Ų | 87 | 105.8 Ų | 105.8 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | trans | -92.9 | -2.9 | 178.2 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | P168 Y172 | P168-S170 PolarHBondContact O-N 3.49Å; S170-Y172 PolarHBondContact O-N 3.05Å | ||
| 171 | D | 85.9 | Confident | 79.4 | Confident | 108 Ų | 108 | 107.8 Ų | 107.8 | 58% | 0.578 | 55% | 0.553 | S | S | * | * | trans | -65.2 | 108 | 175.8 | -71.7 | -19.8 | 0 | 0 | 0 | 109.4 | V169 Q173 V174 V175 | V169-D171 HydrophobicContact CG1-CB 4.26Å; D171-Q173 PolarHBondContact O-N 2.84Å; D171-Q173 VanDerWaalsContact O-N 3.14Å; D171-V174 HydrophobicContact CB-CB 4.16Å; D171-V174 HydrophobicContact CB-CG2 3.82Å; D171-V174 PolarHBondContact O-N 3.04Å; D171-V175 PolarHBondContact O-N 3.24Å | ||
| 172 | Y | 81.5 | Confident | 80.5 | Confident | 152 Ų | 152 | 107 Ų | 107 | 60% | 0.596 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -50.1 | -41.9 | -177.2 | -176.1 | -100.1 | 0 | 0 | 0 | 113.1 | S170 V174 V175 R176 | S170-Y172 PolarHBondContact O-N 3.05Å; Y172-V174 PolarHBondContact O-N 3.03Å; Y172-V175 PolarHBondContact O-N 3.14Å; Y172-R176 HydrophobicContact CD1-CG 4.48Å; Y172-R176 VanDerWaalsContact CE1-CD 3.49Å; Y172-R176 HydrophobicContact CE1-CG 4.26Å; Y172-R176 WeakPolarHBondContact O-CB 2.93Å; Y172-R176 PolarHBondContact O-N 2.73Å; Y172-R176 PolarHBondContact OH-NE 3.15Å; Y172-R176 VanDerWaalsContact OH-NE 3.17Å; Y172-R176 PolarHBondContact OH-NH1 2.92Å; Y172-R176 PolarHBondContact OH-NH2 3.24Å |
| 173 | Q | 88.6 | Confident | 81.5 | Confident | 155 Ų | 155 | 112.7 Ų | 112.7 | 72% | 0.724 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.6 | -45.6 | 177.9 | -175.1 | 174 | -1.5 | 0 | 0 | 111.8 | D171 R176 E177 | D171-Q173 PolarHBondContact O-N 2.84Å; D171-Q173 VanDerWaalsContact O-N 3.14Å; Q173-R176 PolarHBondContact O-N 2.91Å; Q173-E177 VanDerWaalsContact O-CB 3.31Å; Q173-E177 WeakPolarHBondContact O-CB 3.48Å; Q173-E177 PolarHBondContact O-N 3.18Å |
| 174 | V | 89.1 | Confident | 83 | Confident | 63 Ų | 63 | 116.3 Ų | 116.3 | 38% | 0.382 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.3 | -39 | -178.4 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | V169 D171 Y172 E177 K178 | V169-V174 HydrophobicContact CG1-CB 3.7Å; V169-V174 HydrophobicContact CG1-CG1 3.66Å; V169-V174 HydrophobicContact CG1-CG2 4.36Å; D171-V174 HydrophobicContact CB-CB 4.16Å; D171-V174 HydrophobicContact CB-CG2 3.82Å; D171-V174 PolarHBondContact O-N 3.04Å; Y172-V174 PolarHBondContact O-N 3.03Å; V174-E177 PolarHBondContact O-N 3.34Å; V174-K178 WeakPolarHBondContact O-CB 3.34Å; V174-K178 PolarHBondContact O-N 2.85Å |
| 175 | V | 87 | Confident | 84.4 | Confident | 76 Ų | 76 | 116.7 Ų | 116.7 | 46% | 0.461 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.4 | -47.9 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | V169 D171 Y172 K178 A179 | V169-V175 WeakPolarHBondContact O-CG2 3.3Å; D171-V175 PolarHBondContact O-N 3.24Å; Y172-V175 PolarHBondContact O-N 3.14Å; V175-K178 PolarHBondContact O-N 3.29Å; V175-A179 WeakPolarHBondContact O-CB 3.34Å; V175-A179 PolarHBondContact O-N 3Å |
| 176 | R | 89.4 | Confident | 85.7 | Confident | 157 Ų | 157 | 114.6 Ų | 114.6 | 59% | 0.592 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.2 | -41.7 | 177 | -80.2 | -163.1 | 164.5 | -174.1 | -5.1 | 112.7 | Y172 Q173 K178 A179 A180 | Y172-R176 HydrophobicContact CD1-CG 4.48Å; Y172-R176 VanDerWaalsContact CE1-CD 3.49Å; Y172-R176 HydrophobicContact CE1-CG 4.26Å; Y172-R176 WeakPolarHBondContact O-CB 2.93Å; Y172-R176 PolarHBondContact O-N 2.73Å; Y172-R176 PolarHBondContact OH-NE 3.15Å; Y172-R176 VanDerWaalsContact OH-NE 3.17Å; Y172-R176 PolarHBondContact OH-NH1 2.92Å; Y172-R176 PolarHBondContact OH-NH2 3.24Å; Q173-R176 PolarHBondContact O-N 2.91Å; R176-K178 VanDerWaalsContact C-N 3.34Å; R176-K178 PolarHBondContact O-N 2.76Å; R176-A179 PolarHBondContact O-N 3.11Å; R176-A180 WeakPolarHBondContact O-CB 3.33Å; R176-A180 PolarHBondContact O-N 3.01Å |
| 177 | E | 92.3 | Very high | 86.7 | Confident | 120 Ų | 120 | 110.4 Ų | 110.4 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.2 | -43.4 | 176.5 | -176.4 | 179.2 | 178.9 | 0 | 0 | 111.5 | Q173 V174 A180 T181 | Q173-E177 VanDerWaalsContact O-CB 3.31Å; Q173-E177 WeakPolarHBondContact O-CB 3.48Å; Q173-E177 PolarHBondContact O-N 3.18Å; V174-E177 PolarHBondContact O-N 3.34Å; E177-A180 PolarHBondContact O-N 3.38Å; E177-T181 WeakPolarHBondContact O-CB 3.35Å; E177-T181 PolarHBondContact O-N 3.5Å; E177-T181 PolarHBondContact O-OG1 2.8Å |
| 178 | K | 92.4 | Very high | 88 | Confident | 155 Ų | 155 | 110 Ų | 110 | 67% | 0.674 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.6 | -43.9 | 177.8 | -172.8 | 180 | 179 | -174.8 | 0 | 111.9 | V174 V175 R176 T181 Q182 | V174-K178 WeakPolarHBondContact O-CB 3.34Å; V174-K178 PolarHBondContact O-N 2.85Å; V175-K178 PolarHBondContact O-N 3.29Å; R176-K178 VanDerWaalsContact C-N 3.34Å; R176-K178 PolarHBondContact O-N 2.76Å; K178-T181 PolarHBondContact O-N 3.01Å; K178-Q182 WeakPolarHBondContact O-CB 3.07Å; K178-Q182 PolarHBondContact O-N 2.61Å |
| 179 | A | 89 | Confident | 89.2 | Confident | 55 Ų | 55 | 108.3 Ų | 108.3 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V175 R176 Q182 R183 | V175-A179 WeakPolarHBondContact O-CB 3.34Å; V175-A179 PolarHBondContact O-N 3Å; R176-A179 PolarHBondContact O-N 3.11Å; A179-Q182 PolarHBondContact O-N 3.47Å; A179-R183 WeakPolarHBondContact O-CB 3.23Å; A179-R183 PolarHBondContact O-N 3.19Å |
| 180 | A | 91.6 | Very high | 90.2 | Very high | 61 Ų | 61 | 108.7 Ų | 108.7 | 50% | 0.504 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R176 E177 R183 R184 | R176-A180 WeakPolarHBondContact O-CB 3.33Å; R176-A180 PolarHBondContact O-N 3.01Å; E177-A180 PolarHBondContact O-N 3.38Å; A180-R183 PolarHBondContact O-N 2.78Å; A180-R184 WeakPolarHBondContact O-CB 3.38Å; A180-R184 PolarHBondContact O-N 3.2Å |
| 181 | T | 95.3 | Very high | 91.1 | Very high | 66 Ų | 66 | 107.8 Ų | 107.8 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | E177 K178 R183 R184 D185 | E177-T181 WeakPolarHBondContact O-CB 3.35Å; E177-T181 PolarHBondContact O-N 3.5Å; E177-T181 PolarHBondContact O-OG1 2.8Å; K178-T181 PolarHBondContact O-N 3.01Å; T181-R183 VanDerWaalsContact C-N 3.35Å; T181-R183 PolarHBondContact O-N 3.49Å; T181-R184 PolarHBondContact O-N 3.47Å; T181-D185 PolarHBondContact O-N 3.1Å |
| 182 | Q | 94.3 | Very high | 91.3 | Very high | 128 Ų | 128 | 111.7 Ų | 111.7 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.5 | -44 | 175.9 | -175.9 | 177.2 | -0.5 | 0 | 0 | 111.7 | K178 A179 R184 D185 V186 | K178-Q182 WeakPolarHBondContact O-CB 3.07Å; K178-Q182 PolarHBondContact O-N 2.61Å; A179-Q182 PolarHBondContact O-N 3.47Å; Q182-R184 PolarHBondContact O-N 3.46Å; Q182-D185 PolarHBondContact O-N 3.46Å; Q182-V186 VanDerWaalsContact O-CG2 3.29Å; Q182-V186 WeakPolarHBondContact O-CG2 3.14Å; Q182-V186 PolarHBondContact O-N 2.83Å |
| 183 | R | 91.6 | Very high | 91.8 | Very high | 190 Ų | 190 | 110.6 Ų | 110.6 | 72% | 0.717 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.1 | -47.2 | 175.8 | -177 | 175.5 | 177.5 | 137.2 | -0.4 | 111.5 | A179 A180 T181 D185 V186 E187 | A179-R183 WeakPolarHBondContact O-CB 3.23Å; A179-R183 PolarHBondContact O-N 3.19Å; A180-R183 PolarHBondContact O-N 2.78Å; T181-R183 VanDerWaalsContact C-N 3.35Å; T181-R183 PolarHBondContact O-N 3.49Å; R183-D185 VanDerWaalsContact C-N 3.35Å; R183-D185 PolarHBondContact O-N 2.74Å; R183-V186 PolarHBondContact O-N 2.78Å; R183-E187 WeakPolarHBondContact O-CB 3.31Å; R183-E187 PolarHBondContact O-N 3.21Å |
| 184 | R | 95.7 | Very high | 92 | Very high | 143 Ų | 143 | 107.4 Ų | 107.4 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 177.8 | -174 | -177.3 | 179.9 | 105.2 | -4 | 112.2 | A180 T181 Q182 R188 | A180-R184 WeakPolarHBondContact O-CB 3.38Å; A180-R184 PolarHBondContact O-N 3.2Å; T181-R184 PolarHBondContact O-N 3.47Å; Q182-R184 PolarHBondContact O-N 3.46Å; R184-R188 VanDerWaalsContact NE-CZ 3.26Å; R184-R188 WeakPolarHBondContact O-CB 3.11Å; R184-R188 WeakPolarHBondContact O-CD 3.48Å; R184-R188 VanDerWaalsContact O-CG 3.23Å; R184-R188 WeakPolarHBondContact O-CG 3.29Å; R184-R188 PolarHBondContact O-N 2.99Å |
| 185 | D | 95.7 | Very high | 92 | Very high | 85 Ų | 85 | 104.9 Ų | 104.9 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 179.4 | -73.3 | -19.4 | 0 | 0 | 0 | 111.8 | T181 Q182 R183 R188 A189 | T181-D185 PolarHBondContact O-N 3.1Å; Q182-D185 PolarHBondContact O-N 3.46Å; R183-D185 VanDerWaalsContact C-N 3.35Å; R183-D185 PolarHBondContact O-N 2.74Å; D185-R188 PolarHBondContact O-N 2.63Å; D185-A189 VanDerWaalsContact O-CB 3.27Å; D185-A189 WeakPolarHBondContact O-CB 3.4Å; D185-A189 PolarHBondContact O-N 3.06Å |
| 186 | V | 95.1 | Very high | 92.1 | Very high | 88 Ų | 88 | 110.2 Ų | 110.2 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 173.4 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | Q182 R183 R188 A189 L190 | Q182-V186 VanDerWaalsContact O-CG2 3.29Å; Q182-V186 WeakPolarHBondContact O-CG2 3.14Å; Q182-V186 PolarHBondContact O-N 2.83Å; R183-V186 PolarHBondContact O-N 2.78Å; V186-R188 PolarHBondContact O-N 3.05Å; V186-A189 PolarHBondContact O-N 2.78Å; V186-L190 WeakPolarHBondContact O-CB 3.49Å; V186-L190 PolarHBondContact O-N 3.25Å |
| 187 | E | 91.4 | Very high | 92.2 | Very high | 122 Ų | 122 | 107.1 Ų | 107.1 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.5 | -46.5 | 177.7 | -175.1 | -172.4 | 158.2 | 0 | 0 | 111.5 | R183 L190 T191 | R183-E187 WeakPolarHBondContact O-CB 3.31Å; R183-E187 PolarHBondContact O-N 3.21Å; E187-L190 PolarHBondContact O-N 3.28Å; E187-T191 VanDerWaalsContact O-CB 3.31Å; E187-T191 WeakPolarHBondContact O-CB 3.16Å; E187-T191 PolarHBondContact O-N 3.23Å; E187-T191 PolarHBondContact O-OG1 2.86Å |
| 188 | R | 92.1 | Very high | 91.9 | Very high | 114 Ų | 114 | 103 Ų | 103 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.5 | -76.4 | 169.7 | 166.9 | -170.7 | -12.2 | 112.3 | R184 D185 V186 R192 | R184-R188 VanDerWaalsContact NE-CZ 3.26Å; R184-R188 WeakPolarHBondContact O-CB 3.11Å; R184-R188 WeakPolarHBondContact O-CD 3.48Å; R184-R188 VanDerWaalsContact O-CG 3.23Å; R184-R188 WeakPolarHBondContact O-CG 3.29Å; R184-R188 PolarHBondContact O-N 2.99Å; D185-R188 PolarHBondContact O-N 2.63Å; V186-R188 PolarHBondContact O-N 3.05Å; R188-R192 WeakPolarHBondContact O-CB 3.38Å; R188-R192 VanDerWaalsContact O-CG 3.25Å; R188-R192 WeakPolarHBondContact O-CG 3.33Å; R188-R192 PolarHBondContact O-N 2.93Å |
| 189 | A | 93.6 | Very high | 91.8 | Very high | 59 Ų | 59 | 101.8 Ų | 101.8 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | D185 V186 R192 F193 | D185-A189 VanDerWaalsContact O-CB 3.27Å; D185-A189 WeakPolarHBondContact O-CB 3.4Å; D185-A189 PolarHBondContact O-N 3.06Å; V186-A189 PolarHBondContact O-N 2.78Å; A189-R192 PolarHBondContact O-N 3.22Å; A189-F193 WeakPolarHBondContact O-CB 3.37Å; A189-F193 PolarHBondContact O-N 3.24Å |
| 190 | L | 92.3 | Very high | 91.8 | Very high | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 177.2 | -179.4 | 59.9 | 0 | 0 | 0 | 111.6 | V186 E187 R192 F193 M194 | V186-L190 WeakPolarHBondContact O-CB 3.49Å; V186-L190 PolarHBondContact O-N 3.25Å; E187-L190 PolarHBondContact O-N 3.28Å; L190-R192 VanDerWaalsContact C-N 3.33Å; L190-R192 PolarHBondContact O-N 2.89Å; L190-F193 WeakPolarHBondContact O-CB 3.38Å; L190-F193 PolarHBondContact O-N 2.95Å; L190-F193 VanDerWaalsContact O-N 3.14Å; L190-M194 HydrophobicContact CD1-CG 4.22Å; L190-M194 HydrophobicContact CD1-SD 4.48Å; L190-M194 HydrophobicContact CG-SD 4.47Å; L190-M194 WeakPolarHBondContact O-CG 3.48Å; L190-M194 PolarHBondContact O-N 3.41Å |
| 191 | T | 90.3 | Very high | 91.6 | Very high | 67 Ų | 67 | 105.1 Ų | 105.1 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 111 | E187 F193 M194 A195 | E187-T191 VanDerWaalsContact O-CB 3.31Å; E187-T191 WeakPolarHBondContact O-CB 3.16Å; E187-T191 PolarHBondContact O-N 3.23Å; E187-T191 PolarHBondContact O-OG1 2.86Å; T191-F193 VanDerWaalsContact C-N 3.34Å; T191-F193 PolarHBondContact O-N 3.41Å; T191-M194 PolarHBondContact O-N 3.44Å; T191-A195 VanDerWaalsContact O-CB 3.26Å; T191-A195 WeakPolarHBondContact O-CB 3.44Å; T191-A195 PolarHBondContact O-N 3.04Å |
| 192 | R | 89.7 | Confident | 91.1 | Very high | 190 Ų | 190 | 104 Ų | 104 | 72% | 0.717 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -39.1 | 176.4 | -74.4 | 172.4 | 177.9 | 176.8 | -0.9 | 112.3 | R188 A189 L190 K196 | R188-R192 WeakPolarHBondContact O-CB 3.38Å; R188-R192 VanDerWaalsContact O-CG 3.25Å; R188-R192 WeakPolarHBondContact O-CG 3.33Å; R188-R192 PolarHBondContact O-N 2.93Å; A189-R192 PolarHBondContact O-N 3.22Å; L190-R192 VanDerWaalsContact C-N 3.33Å; L190-R192 PolarHBondContact O-N 2.89Å; R192-K196 VanDerWaalsContact O-CB 3.31Å; R192-K196 WeakPolarHBondContact O-CB 3.45Å; R192-K196 PolarHBondContact O-N 3.06Å |
| 193 | F | 92.4 | Very high | 90.7 | Very high | 130 Ų | 130 | 103.2 Ų | 103.2 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -48.8 | 177.1 | 175.1 | -98.1 | 0 | 0 | 0 | 111.5 | A189 L190 T191 K196 T197 | A189-F193 WeakPolarHBondContact O-CB 3.37Å; A189-F193 PolarHBondContact O-N 3.24Å; L190-F193 WeakPolarHBondContact O-CB 3.38Å; L190-F193 PolarHBondContact O-N 2.95Å; L190-F193 VanDerWaalsContact O-N 3.14Å; T191-F193 VanDerWaalsContact C-N 3.34Å; T191-F193 PolarHBondContact O-N 3.41Å; F193-K196 PolarHBondContact O-N 3.15Å; F193-T197 HydrophobicContact CD2-CG2 4.21Å; F193-T197 HydrophobicContact CE1-CG2 4.32Å; F193-T197 HydrophobicContact CE2-CG2 3.82Å; F193-T197 HydrophobicContact CZ-CG2 3.88Å; F193-T197 WeakPolarHBondContact O-CB 3.3Å; F193-T197 WeakPolarHBondContact O-CG2 3.32Å; F193-T197 PolarHBondContact O-N 3.36Å; F193-T197 PolarHBondContact O-OG1 2.94Å |
| 194 | M | 92.4 | Very high | 90.4 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.4 | -70.4 | -169.4 | 74.6 | 0 | 0 | 111.9 | L190 T191 K196 T197 G198 I214 | L190-M194 HydrophobicContact CD1-CG 4.22Å; L190-M194 HydrophobicContact CD1-SD 4.48Å; L190-M194 HydrophobicContact CG-SD 4.47Å; L190-M194 WeakPolarHBondContact O-CG 3.48Å; L190-M194 PolarHBondContact O-N 3.41Å; T191-M194 PolarHBondContact O-N 3.44Å; M194-K196 VanDerWaalsContact C-N 3.28Å; M194-K196 PolarHBondContact O-N 3.08Å; M194-T197 PolarHBondContact O-N 3.29Å; M194-T197 PolarHBondContact O-OG1 3.41Å; M194-G198 PolarHBondContact O-N 3.26Å; M194-I214 HydrophobicContact CB-CD1 3.64Å; M194-I214 HydrophobicContact CB-CG1 4.21Å; M194-I214 HydrophobicContact CE-CD1 4.32Å; M194-I214 HydrophobicContact SD-CD1 4.15Å |
| 195 | A | 88.9 | Confident | 89.7 | Confident | 9 Ų | 9 | 101.8 Ų | 101.8 | 7% | 0.074 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -62.6 | -33.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | T191 T200 P212 | T191-A195 VanDerWaalsContact O-CB 3.26Å; T191-A195 WeakPolarHBondContact O-CB 3.44Å; T191-A195 PolarHBondContact O-N 3.04Å; A195-T200 HydrophobicContact CB-CG2 4.02Å; A195-T200 WeakPolarHBondContact O-CG2 3.47Å; A195-P212 HydrophobicContact CB-CB 4.18Å; A195-P212 HydrophobicContact CB-CG 4.11Å; A195-P212 WeakPolarHBondContact CB-O 3.44Å |
| 196 | K | 88.5 | Confident | 89 | Confident | 189 Ų | 189 | 105.7 Ų | 105.7 | 82% | 0.822 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -79.3 | -26.8 | 178.6 | -170.1 | 171.6 | -178.1 | -179.9 | 0 | 113.7 | R192 F193 M194 | R192-K196 VanDerWaalsContact O-CB 3.31Å; R192-K196 WeakPolarHBondContact O-CB 3.45Å; R192-K196 PolarHBondContact O-N 3.06Å; F193-K196 PolarHBondContact O-N 3.15Å; M194-K196 VanDerWaalsContact C-N 3.28Å; M194-K196 PolarHBondContact O-N 3.08Å |
| 197 | T | 91.1 | Very high | 88.2 | Confident | 92 Ų | 92 | 104.8 Ų | 104.8 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -101 | -24.3 | -174 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | F193 M194 | F193-T197 HydrophobicContact CD2-CG2 4.21Å; F193-T197 HydrophobicContact CE1-CG2 4.32Å; F193-T197 HydrophobicContact CE2-CG2 3.82Å; F193-T197 HydrophobicContact CZ-CG2 3.88Å; F193-T197 WeakPolarHBondContact O-CB 3.3Å; F193-T197 WeakPolarHBondContact O-CG2 3.32Å; F193-T197 PolarHBondContact O-N 3.36Å; F193-T197 PolarHBondContact O-OG1 2.94Å; M194-T197 PolarHBondContact O-N 3.29Å; M194-T197 PolarHBondContact O-OG1 3.41Å |
| 198 | G | 87.6 | Confident | 87.3 | Confident | 33 Ų | 33 | 104.8 Ų | 104.8 | 34% | 0.34 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -103.3 | -177.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | M194 | M194-G198 PolarHBondContact O-N 3.26Š|
| 199 | E | 89.1 | Confident | 86.5 | Confident | 129 Ų | 129 | 104.1 Ų | 104.1 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | trans | -69.7 | 134.6 | 169.5 | -69.5 | 168.8 | -155.4 | 0 | 0 | 109.7 | A215 | E199-A215 HydrophobicContact CB-CB 3.77Å; E199-A215 VanDerWaalsContact O-CB 3.3Å; E199-A215 WeakPolarHBondContact O-CB 3.29Å; E199-A215 PolarHBondContact O-N 3.04Å | ||
| 200 | T | 88.8 | Confident | 85.9 | Confident | 63 Ų | 63 | 103.3 Ų | 103.3 | 39% | 0.387 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151.2 | -179.4 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | A195 P212 L213 | A195-T200 HydrophobicContact CB-CG2 4.02Å; A195-T200 WeakPolarHBondContact O-CG2 3.47Å; T200-P212 HydrophobicContact CG2-CB 4.17Å; T200-L213 CarbonylContact C-O 3.48Å; T200-L213 WeakPolarHBondContact CA-O 3.32Å; T200-L213 WeakPolarHBondContact CB-O 3.27Å; T200-L213 WeakPolarHBondContact CG2-O 3.37Å |
| 201 | Q | 86.9 | Confident | 85.4 | Confident | 123 Ų | 123 | 104.1 Ų | 104.1 | 58% | 0.575 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.8 | 169.3 | -64.7 | -178.3 | 14.9 | 0 | 0 | 107.8 | L213 A215 | Q201-L213 PolarHBondContact N-O 2.96Å; Q201-L213 WeakPolarHBondContact O-CB 3.37Å; Q201-L213 PolarHBondContact O-N 3.18Å; Q201-A215 HydrophobicContact CG-CB 3.98Å |
| 202 | S | 86.3 | Confident | 85.2 | Confident | 43 Ų | 43 | 103.4 Ų | 103.4 | 30% | 0.301 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 142.3 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | F204 D207 | S202-F204 VanDerWaalsContact C-N 3.33Å; S202-F204 WeakPolarHBondContact CB-O 3.18Å; S202-F204 PolarHBondContact OG-N 3.34Å; S202-F204 PolarHBondContact OG-O 3.34Å; S202-D207 PolarHBondContact OG-O 2.99Å |
| 203 | L | 84.6 | Confident | 85.1 | Confident | 111 Ų | 111 | 98.7 Ų | 98.7 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -69.1 | -34.1 | 171.2 | -159.2 | 89.2 | 0 | 0 | 0 | 111.8 | F211 L213 | L203-F211 HydrophobicContact CB-CB 4.44Å; L203-L213 HydrophobicContact CD1-CD1 4.01Å |
| 204 | F | 87.1 | Confident | 85 | Confident | 104 Ų | 104 | 96.6 Ų | 96.6 | 46% | 0.456 | 51% | 0.51 | S | S | . | . | trans | -115.5 | 136.1 | -178.1 | -58 | -67.2 | 0 | 0 | 0 | 110.6 | S202 D206 F211 | S202-F204 VanDerWaalsContact C-N 3.33Å; S202-F204 WeakPolarHBondContact CB-O 3.18Å; S202-F204 PolarHBondContact OG-N 3.34Å; S202-F204 PolarHBondContact OG-O 3.34Å; F204-D206 VanDerWaalsContact C-N 3.29Å; F204-D206 PolarHBondContact O-N 3.37Å; F204-F211 AromaticContact CD2-CD2 3.98Å; F204-F211 HydrophobicContact CD2-CD2 3.98Å; F204-F211 AromaticContact CE2-CD2 3.69Å; F204-F211 HydrophobicContact CE2-CD2 3.69Å; F204-F211 AromaticContact CE2-CE2 3.91Å; F204-F211 HydrophobicContact CE2-CE2 3.91Å | ||
| 205 | K | 80.1 | Confident | 84.8 | Confident | 199 Ų | 199 | 92.9 Ų | 92.9 | 87% | 0.865 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -69 | -31.2 | 179.4 | -64.4 | -176.1 | 176.1 | 179 | 0 | 112.3 | ||
| 206 | D | 81.3 | Confident | 84.7 | Confident | 167 Ų | 167 | 96.5 Ų | 96.5 | 89% | 0.893 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -95 | -17.8 | -172.9 | -52.5 | -41.3 | 0 | 0 | 0 | 113.1 | F204 | F204-D206 VanDerWaalsContact C-N 3.29Å; F204-D206 PolarHBondContact O-N 3.37Å |
| 207 | D | 78.1 | Confident | 84.7 | Confident | 69 Ų | 69 | 96.3 Ų | 96.3 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | trans | -130.3 | 87.2 | 177.1 | -165.9 | -13.3 | 0 | 0 | 0 | 111.2 | S202 S209 A210 | S202-D207 PolarHBondContact OG-O 2.99Å; D207-S209 PolarHBondContact O-N 2.89Å; D207-S209 PolarHBondContact OD1-N 2.97Å; D207-S209 VanDerWaalsContact OD1-N 3.07Å; D207-S209 PolarHBondContact OD1-OG 3.27Å; D207-A210 HydrophobicContact CB-CB 4.41Å; D207-A210 PolarHBondContact OD1-N 3.44Å; D207-A210 VanDerWaalsContact OD2-CB 3.3Å; D207-A210 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 208 | I | 71.3 | Confident | 84.4 | Confident | 122 Ų | 122 | 98.4 Ų | 98.4 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -14.6 | -179.5 | -45.8 | 170.4 | 0 | 0 | 0 | 110.9 | ||
| 209 | S | 77.1 | Confident | 84.4 | Confident | 100 Ų | 100 | 100.1 Ų | 100.1 | 70% | 0.699 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -26.9 | -170.7 | 73.9 | 0 | 0 | 0 | 0 | 114.3 | D207 | D207-S209 PolarHBondContact O-N 2.89Å; D207-S209 PolarHBondContact OD1-N 2.97Å; D207-S209 VanDerWaalsContact OD1-N 3.07Å; D207-S209 PolarHBondContact OD1-OG 3.27Å |
| 210 | A | 79.3 | Confident | 84.4 | Confident | 43 Ų | 43 | 100.7 Ų | 100.7 | 36% | 0.355 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -39.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D207 | D207-A210 HydrophobicContact CB-CB 4.41Å; D207-A210 PolarHBondContact OD1-N 3.44Å; D207-A210 VanDerWaalsContact OD2-CB 3.3Å; D207-A210 WeakPolarHBondContact OD2-CB 3.46Å |
| 211 | F | 83.1 | Confident | 84.5 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | trans | -141.7 | 71.9 | -175.1 | -58.8 | -78.4 | 0 | 0 | 0 | 112.6 | L203 F204 L213 | L203-F211 HydrophobicContact CB-CB 4.44Å; F204-F211 AromaticContact CD2-CD2 3.98Å; F204-F211 HydrophobicContact CD2-CD2 3.98Å; F204-F211 AromaticContact CE2-CD2 3.69Å; F204-F211 HydrophobicContact CE2-CD2 3.69Å; F204-F211 AromaticContact CE2-CE2 3.91Å; F204-F211 HydrophobicContact CE2-CE2 3.91Å; F211-L213 PolarHBondContact O-N 3.45Å; F211-L213 VanDerWaalsContact O-N 3.14Å | ||
| 212 | P | 85.1 | Confident | 84.5 | Confident | 52 Ų | 52 | 98.7 Ų | 98.7 | 34% | 0.338 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 101.3 | 176.2 | 31.4 | -33.8 | 0 | 0 | 0 | 110.1 | A195 T200 | A195-P212 HydrophobicContact CB-CB 4.18Å; A195-P212 HydrophobicContact CB-CG 4.11Å; A195-P212 WeakPolarHBondContact CB-O 3.44Å; T200-P212 HydrophobicContact CG2-CB 4.17Å |
| 213 | L | 88.9 | Confident | 84.7 | Confident | 91 Ų | 91 | 103.5 Ų | 103.5 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.6 | 142.9 | 176.8 | -58.4 | 174.1 | 0 | 0 | 0 | 110.1 | T200 Q201 L203 F211 A215 | T200-L213 CarbonylContact C-O 3.48Å; T200-L213 WeakPolarHBondContact CA-O 3.32Å; T200-L213 WeakPolarHBondContact CB-O 3.27Å; T200-L213 WeakPolarHBondContact CG2-O 3.37Å; Q201-L213 PolarHBondContact N-O 2.96Å; Q201-L213 WeakPolarHBondContact O-CB 3.37Å; Q201-L213 PolarHBondContact O-N 3.18Å; L203-L213 HydrophobicContact CD1-CD1 4.01Å; F211-L213 PolarHBondContact O-N 3.45Å; F211-L213 VanDerWaalsContact O-N 3.14Å; L213-A215 PolarHBondContact O-N 3.36Å |
| 214 | I | 89.7 | Confident | 84.8 | Confident | 85 Ų | 85 | 102 Ų | 102 | 44% | 0.436 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.9 | 126 | 175.7 | -58.8 | 167.5 | 0 | 0 | 0 | 108.4 | M194 | M194-I214 HydrophobicContact CB-CD1 3.64Å; M194-I214 HydrophobicContact CB-CG1 4.21Å; M194-I214 HydrophobicContact CE-CD1 4.32Å; M194-I214 HydrophobicContact SD-CD1 4.15Å |
| 215 | A | 88.9 | Confident | 84.7 | Confident | 10 Ų | 10 | 101.5 Ų | 101.5 | 8% | 0.083 | 56% | 0.56 | C | S | . | * | P | Polyproline II helix | trans | -65.8 | 140.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E199 Q201 L213 R217 | E199-A215 HydrophobicContact CB-CB 3.77Å; E199-A215 VanDerWaalsContact O-CB 3.3Å; E199-A215 WeakPolarHBondContact O-CB 3.29Å; E199-A215 PolarHBondContact O-N 3.04Å; Q201-A215 HydrophobicContact CG-CB 3.98Å; L213-A215 PolarHBondContact O-N 3.36Å; A215-R217 PolarHBondContact O-N 2.68Å |
| 216 | A | 86.9 | Confident | 85 | Confident | 86 Ų | 86 | 96 Ų | 96 | 71% | 0.711 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 127.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 217 | R | 86.8 | Confident | 85.4 | Confident | 185 Ų | 185 | 94.7 Ų | 94.7 | 70% | 0.698 | 54% | 0.544 | S | S | * | . | trans | -101.7 | 111.7 | 172.7 | -74.1 | -174.4 | 171.8 | 166.7 | -1.4 | 109.8 | A215 S219 | A215-R217 PolarHBondContact O-N 2.68Å; R217-S219 PolarHBondContact O-N 2.92Å | ||
| 218 | P | 86.3 | Confident | 85.8 | Confident | 136 Ų | 136 | 96.5 Ų | 96.5 | 88% | 0.883 | 55% | 0.553 | S | S | * | * | trans | -65.1 | 126.2 | 177.2 | 24.6 | -30.4 | 0 | 0 | 0 | 110.1 | ||||
| 219 | S | 86.4 | Confident | 86.4 | Confident | 68 Ų | 68 | 94 Ų | 94 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | trans | -98.3 | 142.7 | 173.3 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | R217 I221 | R217-S219 PolarHBondContact O-N 2.92Å; S219-I221 PolarHBondContact O-N 3.44Å; S219-I221 PolarHBondContact OG-N 2.89Å | ||
| 220 | T | 89.6 | Confident | 86.5 | Confident | 142 Ų | 142 | 91.8 Ų | 91.8 | 87% | 0.871 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -69 | -21.7 | 175.7 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 221 | I | 90.8 | Very high | 86.4 | Confident | 66 Ų | 66 | 98 Ų | 98 | 34% | 0.338 | 55% | 0.551 | S | S | . | * | trans | -136.2 | 74.3 | -178.4 | -45.3 | -179.9 | 0 | 0 | 0 | 109.8 | S219 Y223 L224 | S219-I221 PolarHBondContact O-N 3.44Å; S219-I221 PolarHBondContact OG-N 2.89Å; I221-Y223 VanDerWaalsContact C-N 3.33Å; I221-Y223 HydrophobicContact CG2-CD1 3.95Å; I221-Y223 HydrophobicContact CG2-CD2 4.24Å; I221-Y223 HydrophobicContact CG2-CE1 3.36Å; I221-Y223 HydrophobicContact CG2-CE2 3.7Å; I221-Y223 HydrophobicContact CG2-CG 4.35Å; I221-Y223 WeakPolarHBondContact CG2-OH 3.22Å; I221-Y223 PolarHBondContact O-N 3.5Å; I221-L224 HydrophobicContact CB-CD1 4.39Å; I221-L224 HydrophobicContact CD1-CD1 4.41Å; I221-L224 HydrophobicContact CG2-CB 4.17Å; I221-L224 HydrophobicContact CG2-CD1 3.68Å; I221-L224 HydrophobicContact CG2-CG 3.67Å; I221-L224 PolarHBondContact O-N 3.32Å | ||
| 222 | P | 87.5 | Confident | 86 | Confident | 78 Ų | 78 | 98.6 Ų | 98.6 | 51% | 0.506 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.9 | -28.8 | -170.8 | 27 | -35 | 0 | 0 | 0 | 113.6 | L224 S225 A226 | P222-L224 VanDerWaalsContact C-N 3.32Å; P222-L224 PolarHBondContact O-N 3.14Å; P222-S225 PolarHBondContact O-OG 3.14Å; P222-S225 VanDerWaalsContact O-OG 3.13Å; P222-A226 PolarHBondContact O-N 3.39Å |
| 223 | Y | 89.1 | Confident | 85.7 | Confident | 143 Ų | 143 | 101 Ų | 101 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.1 | -29.1 | -177.6 | 59.7 | -96.8 | 0 | 0 | 0 | 112.8 | I221 L227 | I221-Y223 VanDerWaalsContact C-N 3.33Å; I221-Y223 HydrophobicContact CG2-CD1 3.95Å; I221-Y223 HydrophobicContact CG2-CD2 4.24Å; I221-Y223 HydrophobicContact CG2-CE1 3.36Å; I221-Y223 HydrophobicContact CG2-CE2 3.7Å; I221-Y223 HydrophobicContact CG2-CG 4.35Å; I221-Y223 WeakPolarHBondContact CG2-OH 3.22Å; I221-Y223 PolarHBondContact O-N 3.5Å; Y223-L227 VanDerWaalsContact O-CB 3.24Å; Y223-L227 WeakPolarHBondContact O-CB 3.47Å; Y223-L227 VanDerWaalsContact O-CG 3.27Å; Y223-L227 WeakPolarHBondContact O-CG 3.42Å; Y223-L227 PolarHBondContact O-N 3.15Å |
| 224 | L | 88.1 | Confident | 85.3 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 42% | 0.424 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67 | -47.4 | 178.6 | -76.1 | -178.7 | 0 | 0 | 0 | 111.3 | I221 P222 A226 L228 | I221-L224 HydrophobicContact CB-CD1 4.39Å; I221-L224 HydrophobicContact CD1-CD1 4.41Å; I221-L224 HydrophobicContact CG2-CB 4.17Å; I221-L224 HydrophobicContact CG2-CD1 3.68Å; I221-L224 HydrophobicContact CG2-CG 3.67Å; I221-L224 PolarHBondContact O-N 3.32Å; P222-L224 VanDerWaalsContact C-N 3.32Å; P222-L224 PolarHBondContact O-N 3.14Å; L224-A226 VanDerWaalsContact C-N 3.29Å; L224-A226 PolarHBondContact O-N 2.96Å; L224-L228 HydrophobicContact CB-CD1 4.37Å; L224-L228 HydrophobicContact CD2-CD1 4.29Å; L224-L228 WeakPolarHBondContact O-CB 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 3.27Å |
| 225 | S | 85 | Confident | 84.6 | Confident | 92 Ų | 92 | 101.8 Ų | 101.8 | 64% | 0.643 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.4 | -24.2 | 179.4 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | P222 | P222-S225 PolarHBondContact O-OG 3.14Å; P222-S225 VanDerWaalsContact O-OG 3.13Å |
| 226 | A | 86.8 | Confident | 84 | Confident | 84 Ų | 84 | 104.1 Ų | 104.1 | 69% | 0.694 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -86.7 | -27.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P222 L224 | P222-A226 PolarHBondContact O-N 3.39Å; L224-A226 VanDerWaalsContact C-N 3.29Å; L224-A226 PolarHBondContact O-N 2.96Å |
| 227 | L | 88.7 | Confident | 83.3 | Confident | 140 Ų | 140 | 105.1 Ų | 105.1 | 73% | 0.733 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -99.6 | -22.3 | -178.4 | -66.8 | 171.4 | 0 | 0 | 0 | 113.5 | Y223 | Y223-L227 VanDerWaalsContact O-CB 3.24Å; Y223-L227 WeakPolarHBondContact O-CB 3.47Å; Y223-L227 VanDerWaalsContact O-CG 3.27Å; Y223-L227 WeakPolarHBondContact O-CG 3.42Å; Y223-L227 PolarHBondContact O-N 3.15Å |
| 228 | L | 86.3 | Confident | 82.6 | Confident | 107 Ų | 107 | 102.6 Ų | 102.6 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -86.8 | 131.5 | 176.5 | -64.4 | 176.9 | 0 | 0 | 0 | 109.6 | L224 S230 | L224-L228 HydrophobicContact CB-CD1 4.37Å; L224-L228 HydrophobicContact CD2-CD1 4.29Å; L224-L228 WeakPolarHBondContact O-CB 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 3.27Å; L228-S230 PolarHBondContact O-N 3.33Å |
| 229 | P | 83.4 | Confident | 81.7 | Confident | 69 Ų | 69 | 102 Ų | 102 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 134.2 | 170 | -24.5 | 33.8 | 0 | 0 | 0 | 109.8 | L234 | P229-L234 HydrophobicContact CB-CD1 4.45Å; P229-L234 HydrophobicContact CB-CD2 3.68Å; P229-L234 HydrophobicContact CB-CG 3.79Å; P229-L234 HydrophobicContact CG-CD2 4.11Å |
| 230 | S | 80.1 | Confident | 80.5 | Confident | 54 Ų | 54 | 102.3 Ų | 102.3 | 38% | 0.378 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 152.2 | 169.2 | 63.3 | 0 | 0 | 0 | 0 | 109.9 | L228 L232 E233 L234 | L228-S230 PolarHBondContact O-N 3.33Å; S230-L232 PolarHBondContact O-N 2.74Å; S230-L232 VanDerWaalsContact O-N 3.16Å; S230-E233 PolarHBondContact N-OE2 3.42Å; S230-E233 WeakPolarHBondContact O-CB 3.3Å; S230-E233 PolarHBondContact O-N 3.16Å; S230-E233 WeakPolarHBondContact OG-CB 3.42Å; S230-E233 VanDerWaalsContact OG-CD 3.29Å; S230-E233 WeakPolarHBondContact OG-CG 3.37Å; S230-E233 PolarHBondContact OG-N 3.49Å; S230-E233 PolarHBondContact OG-OE2 3.03Å; S230-L234 PolarHBondContact O-N 2.9Å |
| 231 | E | 77.6 | Confident | 78.7 | Confident | 172 Ų | 172 | 100.5 Ų | 100.5 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.8 | -32 | 176.2 | -170.3 | 161.9 | -158.2 | 0 | 0 | 111.7 | Q235 | E231-Q235 PolarHBondContact O-N 3.49Å; E231-Q235 VanDerWaalsContact O-N 3.16Å |
| 232 | L | 73.9 | Confident | 76.9 | Confident | 130 Ų | 130 | 101 Ų | 101 | 68% | 0.681 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.9 | -40.6 | 173.2 | -174 | 65 | 0 | 0 | 0 | 112.7 | S230 Q235 T236 | S230-L232 PolarHBondContact O-N 2.74Å; S230-L232 VanDerWaalsContact O-N 3.16Å; L232-Q235 PolarHBondContact O-N 2.84Å; L232-T236 WeakPolarHBondContact O-CG2 3.48Å; L232-T236 PolarHBondContact O-N 3.03Å; L232-T236 PolarHBondContact O-OG1 3.49Å |
| 233 | E | 78.6 | Confident | 75.2 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 177 | -79.5 | 164 | 154.7 | 0 | 0 | 111.9 | S230 Q235 T236 L237 | S230-E233 PolarHBondContact N-OE2 3.42Å; S230-E233 WeakPolarHBondContact O-CB 3.3Å; S230-E233 PolarHBondContact O-N 3.16Å; S230-E233 WeakPolarHBondContact OG-CB 3.42Å; S230-E233 VanDerWaalsContact OG-CD 3.29Å; S230-E233 WeakPolarHBondContact OG-CG 3.37Å; S230-E233 PolarHBondContact OG-N 3.49Å; S230-E233 PolarHBondContact OG-OE2 3.03Å; E233-Q235 VanDerWaalsContact C-N 3.3Å; E233-Q235 PolarHBondContact O-N 3.46Å; E233-T236 WeakPolarHBondContact CA-OG1 3.32Å; E233-T236 PolarHBondContact O-N 2.91Å; E233-T236 PolarHBondContact O-OG1 3.01Å; E233-L237 WeakPolarHBondContact O-CG 3.49Å; E233-L237 PolarHBondContact O-N 3.23Å |
| 234 | L | 80.1 | Confident | 73.2 | Confident | 84 Ų | 84 | 100.2 Ų | 100.2 | 44% | 0.44 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.5 | -45.3 | 174.6 | -68.7 | 174.1 | 0 | 0 | 0 | 110.9 | P229 S230 T236 L237 E238 | P229-L234 HydrophobicContact CB-CD1 4.45Å; P229-L234 HydrophobicContact CB-CD2 3.68Å; P229-L234 HydrophobicContact CB-CG 3.79Å; P229-L234 HydrophobicContact CG-CD2 4.11Å; S230-L234 PolarHBondContact O-N 2.9Å; L234-T236 VanDerWaalsContact C-N 3.34Å; L234-T236 PolarHBondContact O-N 2.95Å; L234-L237 PolarHBondContact O-N 3.09Å; L234-E238 WeakPolarHBondContact O-CG 3.31Å; L234-E238 PolarHBondContact O-N 3.11Å; L234-E238 VanDerWaalsContact O-N 3.1Å |
| 235 | Q | 75.6 | Confident | 71.3 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 51% | 0.505 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.8 | -37.6 | 178.1 | -167.2 | 149.7 | 10.1 | 0 | 0 | 112.6 | E231 L232 E233 E238 E239 | E231-Q235 PolarHBondContact O-N 3.49Å; E231-Q235 VanDerWaalsContact O-N 3.16Å; L232-Q235 PolarHBondContact O-N 2.84Å; E233-Q235 VanDerWaalsContact C-N 3.3Å; E233-Q235 PolarHBondContact O-N 3.46Å; Q235-E238 PolarHBondContact O-N 3.14Å; Q235-E239 WeakPolarHBondContact O-CG 3.44Å; Q235-E239 PolarHBondContact O-N 3.22Å; Q235-E239 VanDerWaalsContact O-N 3.12Å |
| 236 | T | 76.5 | Confident | 69.4 | Low | 60 Ų | 60 | 104.6 Ų | 104.6 | 37% | 0.368 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68 | -34.6 | 174.8 | 54 | 0 | 0 | 0 | 0 | 113.4 | L232 E233 L234 E239 T240 | L232-T236 WeakPolarHBondContact O-CG2 3.48Å; L232-T236 PolarHBondContact O-N 3.03Å; L232-T236 PolarHBondContact O-OG1 3.49Å; E233-T236 WeakPolarHBondContact CA-OG1 3.32Å; E233-T236 PolarHBondContact O-N 2.91Å; E233-T236 PolarHBondContact O-OG1 3.01Å; L234-T236 VanDerWaalsContact C-N 3.34Å; L234-T236 PolarHBondContact O-N 2.95Å; T236-E239 PolarHBondContact O-N 3.34Å; T236-T240 WeakPolarHBondContact O-CG2 2.79Å; T236-T240 PolarHBondContact O-N 3.35Å; T236-T240 PolarHBondContact O-OG1 3.05Å; T236-T240 VanDerWaalsContact O-OG1 3.13Å |
| 237 | L | 72.6 | Confident | 67.4 | Low | 106 Ų | 106 | 106.3 Ų | 106.3 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.8 | -40.4 | 177 | -73.2 | 168.7 | 0 | 0 | 0 | 111.3 | E233 L234 T240 D241 | E233-L237 WeakPolarHBondContact O-CG 3.49Å; E233-L237 PolarHBondContact O-N 3.23Å; L234-L237 PolarHBondContact O-N 3.09Å; L237-T240 WeakPolarHBondContact CA-OG1 3.38Å; L237-T240 PolarHBondContact O-N 2.92Å; L237-T240 PolarHBondContact O-OG1 3.19Å; L237-D241 WeakPolarHBondContact O-CB 3.42Å; L237-D241 PolarHBondContact O-N 2.96Å; L237-D241 VanDerWaalsContact O-N 3.08Å |
| 238 | E | 71.8 | Confident | 65.3 | Low | 132 Ų | 132 | 107.1 Ų | 107.1 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.9 | -39.5 | 175.3 | -70 | 174.9 | 177.6 | 0 | 0 | 112.3 | L234 Q235 S242 | L234-E238 WeakPolarHBondContact O-CG 3.31Å; L234-E238 PolarHBondContact O-N 3.11Å; L234-E238 VanDerWaalsContact O-N 3.1Å; Q235-E238 PolarHBondContact O-N 3.14Å; E238-S242 PolarHBondContact O-N 2.97Å; E238-S242 PolarHBondContact O-OG 3.13Å |
| 239 | E | 67.4 | Low | 63.3 | Low | 125 Ų | 125 | 107 Ų | 107 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.1 | -38.2 | 176.6 | -73.7 | 178.8 | 174.8 | 0 | 0 | 112.4 | Q235 T236 S243 | Q235-E239 WeakPolarHBondContact O-CG 3.44Å; Q235-E239 PolarHBondContact O-N 3.22Å; Q235-E239 VanDerWaalsContact O-N 3.12Å; T236-E239 PolarHBondContact O-N 3.34Å; E239-S243 PolarHBondContact O-N 3.27Å |
| 240 | T | 60.7 | Low | 61.5 | Low | 74 Ų | 74 | 110 Ų | 110 | 45% | 0.454 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.6 | -40.7 | 178 | 48.3 | 0 | 0 | 0 | 0 | 113 | T236 L237 S242 S243 E244 | T236-T240 WeakPolarHBondContact O-CG2 2.79Å; T236-T240 PolarHBondContact O-N 3.35Å; T236-T240 PolarHBondContact O-OG1 3.05Å; T236-T240 VanDerWaalsContact O-OG1 3.13Å; L237-T240 WeakPolarHBondContact CA-OG1 3.38Å; L237-T240 PolarHBondContact O-N 2.92Å; L237-T240 PolarHBondContact O-OG1 3.19Å; T240-S242 VanDerWaalsContact C-N 3.26Å; T240-S242 PolarHBondContact O-N 3.17Å; T240-S243 PolarHBondContact O-N 3.15Å; T240-S243 VanDerWaalsContact O-N 3.13Å; T240-S243 PolarHBondContact O-OG 3.17Å; T240-E244 PolarHBondContact O-N 3.28Å |
| 241 | D | 52 | Low | 59.7 | Low | 103 Ų | 103 | 111.6 Ų | 111.6 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.1 | -34.1 | 177.8 | -169.7 | 30.6 | 0 | 0 | 0 | 111.5 | L237 S243 | L237-D241 WeakPolarHBondContact O-CB 3.42Å; L237-D241 PolarHBondContact O-N 2.96Å; L237-D241 VanDerWaalsContact O-N 3.08Å; D241-S243 PolarHBondContact O-N 2.6Å |
| 242 | S | 52.7 | Low | 58 | Low | 77 Ų | 77 | 111.9 Ų | 111.9 | 54% | 0.538 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.7 | -32.4 | 175.1 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | E238 T240 | E238-S242 PolarHBondContact O-N 2.97Å; E238-S242 PolarHBondContact O-OG 3.13Å; T240-S242 VanDerWaalsContact C-N 3.26Å; T240-S242 PolarHBondContact O-N 3.17Å |
| 243 | S | 52 | Low | 56.4 | Low | 65 Ų | 65 | 113.4 Ų | 113.4 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -79.4 | -28.6 | -178 | 64.5 | 0 | 0 | 0 | 0 | 114.2 | E239 T240 D241 Q245 D246 | E239-S243 PolarHBondContact O-N 3.27Å; T240-S243 PolarHBondContact O-N 3.15Å; T240-S243 VanDerWaalsContact O-N 3.13Å; T240-S243 PolarHBondContact O-OG 3.17Å; D241-S243 PolarHBondContact O-N 2.6Å; S243-Q245 VanDerWaalsContact C-N 3.3Å; S243-Q245 PolarHBondContact O-N 3.16Å; S243-D246 PolarHBondContact O-N 3.05Å |
| 244 | E | 46.8 | Very low | 54.5 | Low | 140 Ų | 140 | 113 Ų | 113 | 65% | 0.654 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -76 | -16.3 | 179.5 | -66.4 | -167.1 | 147.9 | 0 | 0 | 113.2 | T240 | T240-E244 PolarHBondContact O-N 3.28Å |
| 245 | Q | 48.6 | Very low | 52.4 | Low | 142 Ų | 142 | 113.8 Ų | 113.8 | 66% | 0.664 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -79.8 | -28.8 | 172.9 | -75.9 | -177.6 | 7.1 | 0 | 0 | 113.5 | S243 | S243-Q245 VanDerWaalsContact C-N 3.3Å; S243-Q245 PolarHBondContact O-N 3.16Å |
| 246 | D | 46.1 | Very low | 50.5 | Low | 123 Ų | 123 | 111.8 Ų | 111.8 | 66% | 0.658 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.2 | -29.1 | -179 | -87 | -13.9 | 0 | 0 | 0 | 112.8 | S243 T249 | S243-D246 PolarHBondContact O-N 3.05Å; D246-T249 PolarHBondContact O-OG1 3.04Å |
| 247 | D | 44.2 | Very low | 48.4 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 64% | 0.642 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -16.1 | -176.6 | -107.2 | -19.4 | 0 | 0 | 0 | 114.2 | T249 S251 | D247-T249 VanDerWaalsContact C-N 3.35Å; D247-S251 PolarHBondContact O-OG 3.07Å |
| 248 | Q | 44.4 | Very low | 46.5 | Very low | 156 Ų | 156 | 117.6 Ų | 117.6 | 73% | 0.729 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -16.6 | 178.1 | -80.6 | -175.2 | 3.7 | 0 | 0 | 113.7 | ||
| 249 | T | 43.7 | Very low | 44.6 | Very low | 105 Ų | 105 | 117.5 Ų | 117.5 | 64% | 0.644 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -17.4 | -179.9 | 50 | 0 | 0 | 0 | 0 | 114.5 | D246 D247 | D246-T249 PolarHBondContact O-OG1 3.04Å; D247-T249 VanDerWaalsContact C-N 3.35Å |
| 250 | D | 45.2 | Very low | 42.9 | Very low | 131 Ų | 131 | 115.7 Ų | 115.7 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -13.2 | -174.5 | -83.7 | -13.3 | 0 | 0 | 0 | 114.4 | ||
| 251 | S | 44.1 | Very low | 41.4 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -89.5 | -24.7 | -171.4 | -60.4 | 0 | 0 | 0 | 0 | 115 | D247 | D247-S251 PolarHBondContact O-OG 3.07Š|
| 252 | E | 40.9 | Very low | 40.4 | Very low | 178 Ų | 178 | 122.2 Ų | 122.2 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -9.8 | -172.8 | -69.7 | -161.6 | 127.9 | 0 | 0 | 115 | ||
| 253 | N | 39.7 | Very low | 39.5 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 87% | 0.866 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 2.5 | -177.7 | -98.4 | -20.3 | 0 | 0 | 0 | 115.4 | ||
| 254 | A | 39.1 | Very low | 38.4 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -104.6 | -6.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 255 | A | 35.8 | Very low | 37.6 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -112.7 | 67.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 256 | G | 36.7 | Very low | 36.7 | Very low | 65 Ų | 65 | 125.7 Ų | 125.7 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | trans | 179.8 | 63.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 257 | N | 32.2 | Very low | 36.1 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -173.4 | 80.6 | 146 | -107.8 | 7.8 | 0 | 0 | 0 | 110.7 | ||||
| 258 | V | 32.8 | Very low | 35.2 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | trans | -102.7 | 86.4 | 151.5 | -178.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 259 | I | 32.4 | Very low | 34.4 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | trans | -88.7 | 104.3 | 165 | -61.8 | 176.9 | 0 | 0 | 0 | 105.3 | D261 | I259-D261 PolarHBondContact O-N 3.45Š| ||
| 260 | A | 31.1 | Very low | 33.7 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -68.6 | 118.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 261 | D | 30 | Very low | 32.9 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -78.3 | 114 | 172.3 | -135.4 | -5.4 | 0 | 0 | 0 | 107.5 | I259 | I259-D261 PolarHBondContact O-N 3.45Š| ||
| 262 | D | 29.1 | Very low | 32.2 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -106 | 122.2 | 174.3 | -170.9 | 24.5 | 0 | 0 | 0 | 108.4 | ||||
| 263 | P | 35.6 | Very low | 32 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | trans | -84.7 | 135.8 | -179.4 | 32.4 | -30.5 | 0 | 0 | 0 | 111.9 | ||||
| 264 | S | 28.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -39.2 | 143.1 | 175 | -59.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 265 | A | 29.8 | Very low | 31.1 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -147.4 | 109.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 266 | D | 30.1 | Very low | 30.5 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -70.4 | 152.7 | 157.4 | -88.7 | -52.8 | 0 | 0 | 0 | 111.1 | ||||
| 267 | K | 32.4 | Very low | 30 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -22.8 | 141.6 | 175.8 | -74.8 | 173.2 | 177.4 | 176.2 | 0 | 121.3 | ||||
| 268 | E | 26.3 | Very low | 30.1 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | 82.5 | 128.9 | 133.7 | -75.7 | -173.8 | 114.8 | 0 | 0 | 122.4 | ||||
| 269 | N | 26.2 | Very low | 30 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | 64.9 | 109.7 | 150.1 | -84.7 | -12 | 0 | 0 | 0 | 120.1 | ||||
| 270 | S | 29.5 | Very low | 30.4 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | 156.8 | 116.5 | 95 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 271 | V | 28.7 | Very low | 30.2 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | 71.8 | 133.8 | 144.5 | -179.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 272 | L | 28.4 | Very low | 30.2 | Very low | 159 Ų | 159 | 132 Ų | 132 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -74.4 | -166.4 | -176 | -58.6 | 155.6 | 0 | 0 | 0 | 113.6 | ||||
| 273 | P | 37.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | -117.6 | -143.3 | -110.1 | 40.4 | -16.2 | 0 | 0 | 0 | 109.1 | |||||
| 274 | P | 36.5 | Very low | 30.6 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | cis | -133 | 170.9 | -20.2 | 35.4 | -16.6 | 0 | 0 | 0 | 114.6 | ||||
| 275 | G | 23.4 | Very low | 31.2 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 112.4 | 125.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 276 | G | 24 | Very low | 31.8 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 120.6 | 104.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 277 | V | 25.4 | Very low | 32.8 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | 74.8 | 124.6 | 137.5 | -160.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 278 | V | 33.9 | Very low | 33.9 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -67.8 | 149.4 | 170.9 | -154.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 279 | P | 31.9 | Very low | 35.6 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -143.7 | 157.5 | 125.4 | 31.9 | -13.8 | 0 | 0 | 0 | 116.2 | |||||
| 280 | S | 39.7 | Very low | 37.3 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -76.3 | 144.4 | -178.3 | -176.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 281 | T | 28.2 | Very low | 39 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -152.9 | 113 | 159.5 | 40.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 282 | K | 30.4 | Very low | 40.7 | Very low | 200 Ų | 200 | 122.4 Ų | 122.4 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | 75.3 | 126.2 | 95.8 | -81.9 | -171 | 178.3 | 179.6 | 0 | 116 | |||||
| 283 | A | 40 | Very low | 42.2 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 88% | 0.884 | 72% | 0.722 | S | S | * | * | trans | -66.3 | 139.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 284 | S | 31.3 | Very low | 43.5 | Very low | 99 Ų | 99 | 118.4 Ų | 118.4 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | -114.8 | 133.5 | 176 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | D286 | S284-D286 VanDerWaalsContact C-N 3.28Å; S284-D286 PolarHBondContact O-N 3.14Å; S284-D286 VanDerWaalsContact O-N 3.11Å | ||
| 285 | E | 41.3 | Very low | 45.2 | Very low | 194 Ų | 194 | 119.1 Ų | 119.1 | 91% | 0.907 | 70% | 0.701 | S | S | * | * | trans | -77.9 | 40.4 | -176 | -65.7 | -175.1 | 120 | 0 | 0 | 114.8 | ||||
| 286 | D | 42.7 | Very low | 47.3 | Very low | 143 Ų | 143 | 120.6 Ų | 120.6 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | trans | -117.4 | 47.9 | -173.2 | -78.1 | -40.2 | 0 | 0 | 0 | 114.5 | S284 | S284-D286 VanDerWaalsContact C-N 3.28Å; S284-D286 PolarHBondContact O-N 3.14Å; S284-D286 VanDerWaalsContact O-N 3.11Å | ||
| 287 | N | 51 | Low | 49.3 | Very low | 150 Ų | 150 | 120.4 Ų | 120.4 | 80% | 0.802 | 68% | 0.681 | S | S | * | * | trans | -110.3 | 52.3 | 168.9 | -77.1 | -63.5 | 0 | 0 | 0 | 111.5 | I289 | N287-I289 PolarHBondContact O-N 3.41Å; N287-I289 VanDerWaalsContact O-N 3.09Å | ||
| 288 | V | 55.9 | Low | 51.4 | Low | 126 Ų | 126 | 122.7 Ų | 122.7 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | trans | -75.3 | 95.4 | 164 | -179.1 | 0 | 0 | 0 | 0 | 107 | D290 | V288-D290 PolarHBondContact O-N 2.96Š| ||
| 289 | I | 61.5 | Low | 52.9 | Low | 78 Ų | 78 | 124.3 Ų | 124.3 | 40% | 0.4 | 68% | 0.675 | S | S | . | * | trans | -65.3 | 105.7 | 173.9 | -55.3 | 170 | 0 | 0 | 0 | 107.8 | N287 N291 L294 | N287-I289 PolarHBondContact O-N 3.41Å; N287-I289 VanDerWaalsContact O-N 3.09Å; I289-N291 HydrophobicContact CG2-CB 4.06Å; I289-N291 PolarHBondContact O-N 3.38Å; I289-L294 HydrophobicContact CG2-CB 3.55Å; I289-L294 HydrophobicContact CG2-CD1 4.05Å; I289-L294 HydrophobicContact CG2-CG 4.43Å | ||
| 290 | D | 63.4 | Low | 54.6 | Low | 142 Ų | 142 | 123.4 Ų | 123.4 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | trans | -60.5 | -31.6 | -179 | -172.5 | 23.2 | 0 | 0 | 0 | 111.3 | V288 P292 | V288-D290 PolarHBondContact O-N 2.96Å; D290-P292 WeakPolarHBondContact O-CD 3.4Å; D290-P292 VanDerWaalsContact O-N 3.12Å | ||
| 291 | N | 64 | Low | 56 | Low | 65 Ų | 65 | 127.7 Ų | 127.7 | 35% | 0.348 | 67% | 0.673 | S | S | . | * | trans | -65.9 | 110.6 | 176.3 | -171.6 | -14.2 | 0 | 0 | 0 | 111.4 | I289 Y293 L294 | I289-N291 HydrophobicContact CG2-CB 4.06Å; I289-N291 PolarHBondContact O-N 3.38Å; N291-Y293 PolarHBondContact O-N 3.2Å; N291-Y293 WeakPolarHBondContact OD1-CB 3.28Å; N291-Y293 VanDerWaalsContact OD1-CD2 3.32Å; N291-Y293 WeakPolarHBondContact OD1-CD2 3.46Å; N291-Y293 PolarHBondContact OD1-N 3.07Å; N291-L294 HydrophobicContact CB-CB 4.24Å; N291-L294 HydrophobicContact CB-CD1 3.94Å; N291-L294 HydrophobicContact CB-CG 4.09Å; N291-L294 PolarHBondContact O-N 2.79Å; N291-L294 VanDerWaalsContact O-N 3.08Å | ||
| 292 | P | 65.6 | Low | 57.7 | Low | 79 Ų | 79 | 127.9 Ų | 127.9 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -61.4 | -21.9 | -177.9 | 26.2 | -34.5 | 0 | 0 | 0 | 113.1 | D290 | D290-P292 WeakPolarHBondContact O-CD 3.4Å; D290-P292 VanDerWaalsContact O-N 3.12Å |
| 293 | Y | 59.8 | Low | 59 | Low | 81 Ų | 81 | 129.5 Ų | 129.5 | 32% | 0.318 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -83.7 | -14.8 | -179.3 | -60.1 | -71.3 | 0 | 0 | 0 | 114.5 | I160 N291 | I160-Y293 HydrophobicContact CD1-CD1 4.05Å; I160-Y293 HydrophobicContact CD1-CD2 3.52Å; I160-Y293 HydrophobicContact CD1-CE1 4.35Å; I160-Y293 HydrophobicContact CD1-CE2 3.85Å; I160-Y293 HydrophobicContact CD1-CG 3.63Å; I160-Y293 HydrophobicContact CG2-CD1 4Å; I160-Y293 HydrophobicContact CG2-CG 3.86Å; N291-Y293 PolarHBondContact O-N 3.2Å; N291-Y293 WeakPolarHBondContact OD1-CB 3.28Å; N291-Y293 VanDerWaalsContact OD1-CD2 3.32Å; N291-Y293 WeakPolarHBondContact OD1-CD2 3.46Å; N291-Y293 PolarHBondContact OD1-N 3.07Å |
| 294 | L | 63.5 | Low | 59.9 | Low | 106 Ų | 106 | 135.6 Ų | 135.6 | 56% | 0.555 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -100 | 5.3 | 177.6 | -66.2 | 178.9 | 0 | 0 | 0 | 112.3 | I289 N291 | I289-L294 HydrophobicContact CG2-CB 3.55Å; I289-L294 HydrophobicContact CG2-CD1 4.05Å; I289-L294 HydrophobicContact CG2-CG 4.43Å; N291-L294 HydrophobicContact CB-CB 4.24Å; N291-L294 HydrophobicContact CB-CD1 3.94Å; N291-L294 HydrophobicContact CB-CG 4.09Å; N291-L294 PolarHBondContact O-N 2.79Å; N291-L294 VanDerWaalsContact O-N 3.08Å |
| 295 | R | 72.9 | Confident | 61.2 | Low | 135 Ų | 135 | 140.9 Ų | 140.9 | 51% | 0.509 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -72.4 | 136.2 | 179.9 | -65.2 | -177.8 | -175.8 | 174.4 | 6.2 | 110.1 | ||
| 296 | P | 67.4 | Low | 61.5 | Low | 113 Ų | 113 | 144.8 Ų | 144.8 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 141.2 | 176.4 | -26 | 33.8 | 0 | 0 | 0 | 112.9 | K298 | P296-K298 PolarHBondContact O-N 3.49Š|
| 297 | V | 64.7 | Low | 62.4 | Low | 67 Ų | 67 | 144.9 Ų | 144.9 | 41% | 0.406 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 120.8 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | P163 K299 | P163-V297 HydrophobicContact CB-CG2 3.25Å; P163-V297 WeakPolarHBondContact O-CG2 3.23Å; V297-K299 PolarHBondContact O-N 2.93Å |
| 298 | K | 70.8 | Confident | 63 | Low | 194 Ų | 194 | 144.6 Ų | 144.6 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 118.7 | 172.1 | -68.8 | -176.3 | 179.5 | 178.3 | 0 | 109.5 | P296 | P296-K298 PolarHBondContact O-N 3.49Š|
| 299 | K | 65.5 | Low | 63.4 | Low | 168 Ų | 168 | 145.7 Ų | 145.7 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 132.7 | 173.8 | -62 | -172.3 | 179.6 | 177.2 | 0 | 109.7 | F165 V297 K301 | F165-K299 HydrophobicContact CE2-CD 4.42Å; F165-K299 HydrophobicContact CE2-CG 4.1Å; V297-K299 PolarHBondContact O-N 2.93Å; K299-K301 PolarHBondContact O-N 2.74Å |
| 300 | P | 67.1 | Low | 63.6 | Low | 101 Ų | 101 | 149.6 Ų | 149.6 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 132.7 | 171 | -22.3 | 32 | 0 | 0 | 0 | 110 | V302 | P300-V302 PolarHBondContact O-N 3.04Š|
| 301 | K | 69.8 | Low | 63.6 | Low | 204 Ų | 204 | 150.1 Ų | 150.1 | 89% | 0.887 | 70% | 0.699 | S | S | * | * | trans | -64.9 | 108.5 | 175.9 | -72.6 | -176.1 | 179.5 | 179.9 | 0 | 108.6 | K299 R303 | K299-K301 PolarHBondContact O-N 2.74Å; K301-R303 PolarHBondContact O-N 3.48Å | ||
| 302 | V | 63.3 | Low | 63.5 | Low | 133 Ų | 133 | 155.8 Ų | 155.8 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | trans | -64 | 105.4 | 170.9 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | P300 R304 | P300-V302 PolarHBondContact O-N 3.04Å; V302-R304 PolarHBondContact O-N 3.11Å | ||
| 303 | R | 57.9 | Low | 63.4 | Low | 234 Ų | 234 | 161.3 Ų | 161.3 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | -66.6 | 103.4 | 169.2 | -74.2 | 177.9 | 69.1 | -172.1 | 2.2 | 107.2 | K301 K305 | K301-R303 PolarHBondContact O-N 3.48Å; R303-K305 PolarHBondContact O-N 2.92Å | ||
| 304 | R | 59.2 | Low | 63.7 | Low | 236 Ų | 236 | 167.5 Ų | 167.5 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | -60.5 | 110.9 | 163 | -78.3 | 176.8 | 70.5 | 156.7 | -0.2 | 106.6 | V302 K306 | V302-R304 PolarHBondContact O-N 3.11Å; R304-K306 PolarHBondContact O-N 3.45Å | ||
| 305 | K | 57.2 | Low | 63.7 | Low | 210 Ų | 210 | 172.6 Ų | 172.6 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -61.2 | 126.2 | 163.9 | -77.6 | -174.8 | 175.4 | -179 | 0 | 106.6 | R303 | R303-K305 PolarHBondContact O-N 2.92Š| ||
| 306 | K | 48.4 | Very low | 62.8 | Low | 276 Ų | 276 | 176 Ų | 176 | 100% | 1.2 | 81% | 0.814 | S | S | * | * | trans | -77.7 | 0 | 174.9 | -163.3 | -180 | -177 | -176.2 | 0 | 109.1 | R304 | R304-K306 PolarHBondContact O-N 3.45Š|
Retrieved 306 of 306 residues in 323 ms
(Link to these results)