| 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 | 39.3 | Very low | 36.1 | Very low | 246 Ų | 246 | 151.1 Ų | 151.1 | 100% | 1.212 | 85% | 0.853 | S | S | * | * | 0 | 88 | 0 | -71.7 | -168 | -141 | 0 | 0 | 107.1 | |||||
| 2 | E | 39.3 | Very low | 36.2 | Very low | 192 Ų | 192 | 154.7 Ų | 154.7 | 90% | 0.897 | 85% | 0.852 | S | S | * | * | trans | -141.5 | 107.5 | 169 | -73.4 | -172.2 | 161.6 | 0 | 0 | 106.5 | ||||
| 3 | T | 36.3 | Very low | 36.5 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 85% | 0.853 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 130.3 | 173.9 | 44.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 4 | P | 34.2 | Very low | 36.5 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 159 | -177.9 | 28.2 | -32.7 | 0 | 0 | 0 | 113.2 | ||
| 5 | P | 39 | Very low | 36.9 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 140.3 | -167.7 | 29.4 | -33.9 | 0 | 0 | 0 | 113.7 | ||
| 6 | V | 35.5 | Very low | 37.6 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 122.7 | 175.2 | 174.6 | 0 | 0 | 0 | 0 | 109.5 | T8 | V6-T8 PolarHBondContact O-N 3.38Š|
| 7 | N | 33.7 | Very low | 37.9 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -79.2 | 114.3 | 179.3 | -145 | 7.9 | 0 | 0 | 0 | 109.2 | I9 | N7-I9 PolarHBondContact O-N 3.13Š| ||
| 8 | T | 36.9 | Very low | 38.2 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | -74.8 | 106.4 | 175.4 | 38.5 | 0 | 0 | 0 | 0 | 109.6 | V6 G10 | V6-T8 PolarHBondContact O-N 3.38Å; T8-G10 PolarHBondContact O-N 3.23Å | ||
| 9 | I | 34.7 | Very low | 38.6 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -71.2 | 111.3 | 172.3 | -64.9 | 170 | 0 | 0 | 0 | 107.2 | N7 | N7-I9 PolarHBondContact O-N 3.13Š| ||
| 10 | G | 34.1 | Very low | 38.8 | Very low | 62 Ų | 62 | 139.6 Ų | 139.6 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | trans | -60 | 133.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | T8 K12 | T8-G10 PolarHBondContact O-N 3.23Å; G10-K12 PolarHBondContact O-N 3.26Å; G10-K12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | E | 34.4 | Very low | 38.5 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 92% | 0.916 | 74% | 0.742 | S | S | * | * | trans | -56.1 | 111.5 | 172.4 | -70.8 | 173.4 | 144.3 | 0 | 0 | 109.6 | D13 | E11-D13 PolarHBondContact O-N 3.47Š| ||
| 12 | K | 36.9 | Very low | 38.6 | Very low | 194 Ų | 194 | 131 Ų | 131 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | trans | -77 | 114.3 | 172 | -123 | -178.8 | -179.4 | -177.5 | 0 | 107.6 | G10 T14 | G10-K12 PolarHBondContact O-N 3.26Å; G10-K12 VanDerWaalsContact O-N 3.13Å; K12-T14 PolarHBondContact O-N 3.38Å | ||
| 13 | D | 39.6 | Very low | 39.3 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 66% | 0.658 | 69% | 0.689 | S | S | * | * | trans | -55.2 | 99.9 | 179.6 | -160.3 | -12 | 0 | 0 | 0 | 111.3 | E11 S15 | E11-D13 PolarHBondContact O-N 3.47Å; D13-S15 PolarHBondContact O-N 3.37Å; D13-S15 VanDerWaalsContact OD1-CB 3.31Å; D13-S15 WeakPolarHBondContact OD1-CB 3.31Å; D13-S15 PolarHBondContact OD1-OG 3.23Å | ||
| 14 | T | 37.2 | Very low | 39.6 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 4.6 | -178.4 | 42.8 | 0 | 0 | 0 | 0 | 113.4 | K12 Q16 P17 | K12-T14 PolarHBondContact O-N 3.38Å; T14-Q16 PolarHBondContact O-N 3.45Å; T14-P17 WeakPolarHBondContact O-CD 3.43Å |
| 15 | S | 42.9 | Very low | 40.1 | Very low | 59 Ų | 59 | 125.3 Ų | 125.3 | 41% | 0.413 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | -34 | -177.8 | -49.6 | 0 | 0 | 0 | 0 | 114 | D13 Q18 Q19 | D13-S15 PolarHBondContact O-N 3.37Å; D13-S15 VanDerWaalsContact OD1-CB 3.31Å; D13-S15 WeakPolarHBondContact OD1-CB 3.31Å; D13-S15 PolarHBondContact OD1-OG 3.23Å; S15-Q18 PolarHBondContact O-N 2.56Å; S15-Q19 PolarHBondContact O-N 3.39Å |
| 16 | Q | 47.1 | Very low | 40.5 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -48 | -170.8 | -77 | -174.7 | -28.5 | 0 | 0 | 114.2 | T14 Q18 Q19 E20 | T14-Q16 PolarHBondContact O-N 3.45Å; Q16-Q18 PolarHBondContact O-N 3.33Å; Q16-Q19 PolarHBondContact O-N 3.01Å; Q16-Q19 VanDerWaalsContact O-N 3.09Å; Q16-E20 PolarHBondContact O-N 3.34Å |
| 17 | P | 43.9 | Very low | 41.1 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 58% | 0.584 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -59.5 | -32.8 | 173.8 | -20.8 | 30.8 | 0 | 0 | 0 | 111.9 | T14 Q19 W21 | T14-P17 WeakPolarHBondContact O-CD 3.43Å; P17-Q19 VanDerWaalsContact C-N 3.26Å; P17-Q19 PolarHBondContact O-N 3.1Å; P17-W21 PolarHBondContact O-N 3.14Å |
| 18 | Q | 42.2 | Very low | 41.6 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 58% | 0.584 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.3 | 0.3 | 179 | -111.4 | -165.8 | -60.6 | 0 | 0 | 114.6 | S15 Q16 W21 | S15-Q18 PolarHBondContact O-N 2.56Å; Q16-Q18 PolarHBondContact O-N 3.33Å; Q18-W21 VanDerWaalsContact CA-NE1 3.3Å; Q18-W21 PolarHBondContact O-NE1 3.48Å |
| 19 | Q | 46.5 | Very low | 41.6 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 66% | 0.659 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -109.6 | -31.4 | 169.9 | -74.2 | -177.5 | -3.6 | 0 | 0 | 112.1 | S15 Q16 P17 W21 K23 | S15-Q19 PolarHBondContact O-N 3.39Å; Q16-Q19 PolarHBondContact O-N 3.01Å; Q16-Q19 VanDerWaalsContact O-N 3.09Å; P17-Q19 VanDerWaalsContact C-N 3.26Å; P17-Q19 PolarHBondContact O-N 3.1Å; Q19-W21 PolarHBondContact O-N 3.27Å; Q19-K23 PolarHBondContact O-N 3.5Å |
| 20 | E | 41.4 | Very low | 42 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.1 | -34.2 | 174.8 | -80.7 | -178.7 | 151.9 | 0 | 0 | 112.7 | Q16 K23 N24 | Q16-E20 PolarHBondContact O-N 3.34Å; E20-K23 PolarHBondContact O-N 3.5Å; E20-N24 WeakPolarHBondContact O-CB 3.49Å; E20-N24 PolarHBondContact O-N 3.45Å; E20-N24 VanDerWaalsContact O-N 3.08Å; E20-N24 PolarHBondContact O-ND2 3.08Å |
| 21 | W | 33.8 | Very low | 42.2 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 45% | 0.447 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.3 | -42.7 | 176 | 78.7 | -70.6 | 0 | 0 | 0 | 113.1 | P17 Q18 Q19 K23 L25 | P17-W21 PolarHBondContact O-N 3.14Å; Q18-W21 VanDerWaalsContact CA-NE1 3.3Å; Q18-W21 PolarHBondContact O-NE1 3.48Å; Q19-W21 PolarHBondContact O-N 3.27Å; W21-K23 VanDerWaalsContact C-N 3.29Å; W21-K23 PolarHBondContact O-N 2.6Å; W21-L25 HydrophobicContact CE3-CD1 3.42Å; W21-L25 VanDerWaalsContact CE3-CD1 3.42Å; W21-L25 HydrophobicContact CZ3-CD1 3.57Å; W21-L25 WeakPolarHBondContact O-CG 3.5Å; W21-L25 PolarHBondContact O-N 3.38Å; W21-L25 VanDerWaalsContact O-N 3.15Å |
| 22 | E | 40.2 | Very low | 42.3 | Very low | 86 Ų | 86 | 115 Ų | 115 | 40% | 0.402 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66 | -36.8 | 179.1 | -66.9 | -168.9 | 167.6 | 0 | 0 | 111.2 | L25 R26 | E22-L25 PolarHBondContact O-N 3.26Å; E22-R26 WeakPolarHBondContact O-CG 3.23Å; E22-R26 PolarHBondContact O-N 3.44Å; E22-R26 VanDerWaalsContact O-N 3.14Å |
| 23 | K | 53.8 | Low | 42.4 | Very low | 134 Ų | 134 | 110 Ų | 110 | 58% | 0.583 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.3 | -46.4 | -178.4 | -156.8 | -178.3 | 179 | -169.3 | 0 | 111.8 | Q19 E20 W21 L25 R26 E27 | Q19-K23 PolarHBondContact O-N 3.5Å; E20-K23 PolarHBondContact O-N 3.5Å; W21-K23 VanDerWaalsContact C-N 3.29Å; W21-K23 PolarHBondContact O-N 2.6Å; K23-L25 VanDerWaalsContact C-N 3.26Å; K23-L25 PolarHBondContact O-N 3.34Å; K23-R26 PolarHBondContact O-N 3.09Å; K23-E27 PolarHBondContact O-N 3.36Å; K23-E27 VanDerWaalsContact O-N 3.1Å |
| 24 | N | 43.3 | Very low | 42.7 | Very low | 97 Ų | 97 | 111 Ų | 111 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.7 | -32.2 | 175.8 | -79.7 | -27.6 | 0 | 0 | 0 | 112.5 | E20 N28 | E20-N24 WeakPolarHBondContact O-CB 3.49Å; E20-N24 PolarHBondContact O-N 3.45Å; E20-N24 VanDerWaalsContact O-N 3.08Å; E20-N24 PolarHBondContact O-ND2 3.08Å; N24-N28 PolarHBondContact O-N 3.24Å; N24-N28 VanDerWaalsContact O-N 3.13Å |
| 25 | L | 46 | Very low | 42.6 | Very low | 96 Ų | 96 | 112.5 Ų | 112.5 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.9 | -43.3 | 175.2 | -78.2 | 173.3 | 0 | 0 | 0 | 112.7 | W21 E22 K23 N28 L29 | W21-L25 HydrophobicContact CE3-CD1 3.42Å; W21-L25 VanDerWaalsContact CE3-CD1 3.42Å; W21-L25 HydrophobicContact CZ3-CD1 3.57Å; W21-L25 WeakPolarHBondContact O-CG 3.5Å; W21-L25 PolarHBondContact O-N 3.38Å; W21-L25 VanDerWaalsContact O-N 3.15Å; E22-L25 PolarHBondContact O-N 3.26Å; K23-L25 VanDerWaalsContact C-N 3.26Å; K23-L25 PolarHBondContact O-N 3.34Å; L25-N28 PolarHBondContact O-N 3.5Å; L25-L29 PolarHBondContact O-N 2.91Å |
| 26 | R | 46.7 | Very low | 42.2 | Very low | 175 Ų | 175 | 120.5 Ų | 120.5 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.8 | -42.8 | 177.5 | -72.4 | -177.5 | -174.4 | -175.8 | 4.7 | 111.5 | E22 K23 N28 L29 D30 | E22-R26 WeakPolarHBondContact O-CG 3.23Å; E22-R26 PolarHBondContact O-N 3.44Å; E22-R26 VanDerWaalsContact O-N 3.14Å; K23-R26 PolarHBondContact O-N 3.09Å; R26-N28 PolarHBondContact O-N 3.2Å; R26-L29 PolarHBondContact O-N 3.45Å; R26-D30 PolarHBondContact O-N 3.49Å |
| 27 | E | 47.6 | Very low | 41.5 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.7 | -37.4 | 177.5 | -71.7 | 179.5 | -173.3 | 0 | 0 | 112.4 | K23 S31 | K23-E27 PolarHBondContact O-N 3.36Å; K23-E27 VanDerWaalsContact O-N 3.1Å; E27-S31 WeakPolarHBondContact O-CB 3.5Å; E27-S31 PolarHBondContact O-N 2.99Å; E27-S31 VanDerWaalsContact O-N 3.07Å; E27-S31 PolarHBondContact O-OG 3.29Å |
| 28 | N | 45 | Very low | 41 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67 | -42.2 | 174.1 | -96 | -35.8 | 0 | 0 | 0 | 112.3 | N24 L25 R26 S31 V32 | N24-N28 PolarHBondContact O-N 3.24Å; N24-N28 VanDerWaalsContact O-N 3.13Å; L25-N28 PolarHBondContact O-N 3.5Å; R26-N28 PolarHBondContact O-N 3.2Å; N28-S31 PolarHBondContact O-N 3.1Å; N28-S31 PolarHBondContact O-OG 3.01Å; N28-V32 WeakPolarHBondContact O-CG2 3.48Å; N28-V32 PolarHBondContact O-N 3.46Å |
| 29 | L | 35.6 | Very low | 40.5 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 62% | 0.623 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64 | -43.7 | 178.2 | -128.7 | 83.2 | 0 | 0 | 0 | 111.7 | L25 R26 S31 V32 I33 | L25-L29 PolarHBondContact O-N 2.91Å; R26-L29 PolarHBondContact O-N 3.45Å; L29-S31 PolarHBondContact O-N 3.29Å; L29-V32 PolarHBondContact O-N 3.44Å; L29-I33 WeakPolarHBondContact O-CG1 3.34Å; L29-I33 PolarHBondContact O-N 3.07Å; L29-I33 VanDerWaalsContact O-N 3.1Å |
| 30 | D | 43.6 | Very low | 39.8 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.9 | -40.3 | 179.5 | -75.3 | -23.5 | 0 | 0 | 0 | 111.5 | R26 V32 I33 Q34 | R26-D30 PolarHBondContact O-N 3.49Å; D30-V32 VanDerWaalsContact C-N 3.32Å; D30-V32 PolarHBondContact O-N 3.2Å; D30-I33 PolarHBondContact O-N 3.38Å; D30-Q34 WeakPolarHBondContact O-CB 3.31Å; D30-Q34 PolarHBondContact O-N 3.39Å |
| 31 | S | 38 | Very low | 39.2 | Very low | 50 Ų | 50 | 128.9 Ų | 128.9 | 35% | 0.35 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.8 | -36.9 | 176.6 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | E27 N28 L29 Q34 I35 | E27-S31 WeakPolarHBondContact O-CB 3.5Å; E27-S31 PolarHBondContact O-N 2.99Å; E27-S31 VanDerWaalsContact O-N 3.07Å; E27-S31 PolarHBondContact O-OG 3.29Å; N28-S31 PolarHBondContact O-N 3.1Å; N28-S31 PolarHBondContact O-OG 3.01Å; L29-S31 PolarHBondContact O-N 3.29Å; S31-Q34 PolarHBondContact O-N 3.21Å; S31-I35 WeakPolarHBondContact O-CD1 3.33Å; S31-I35 VanDerWaalsContact O-CG1 3.31Å; S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 3.13Å |
| 32 | V | 38 | Very low | 38.9 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.3 | -35.6 | 176.8 | 174 | 0 | 0 | 0 | 0 | 111.3 | N28 L29 D30 | N28-V32 WeakPolarHBondContact O-CG2 3.48Å; N28-V32 PolarHBondContact O-N 3.46Å; L29-V32 PolarHBondContact O-N 3.44Å; D30-V32 VanDerWaalsContact C-N 3.32Å; D30-V32 PolarHBondContact O-N 3.2Å |
| 33 | I | 38.4 | Very low | 38.3 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 46% | 0.462 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71.8 | -39.3 | 176.8 | -65 | 166.2 | 0 | 0 | 0 | 110.7 | L29 D30 I35 R36 | L29-I33 WeakPolarHBondContact O-CG1 3.34Å; L29-I33 PolarHBondContact O-N 3.07Å; L29-I33 VanDerWaalsContact O-N 3.1Å; D30-I33 PolarHBondContact O-N 3.38Å; I33-I35 PolarHBondContact O-N 3.15Å; I33-R36 WeakPolarHBondContact O-CB 3.36Å; I33-R36 PolarHBondContact O-N 3.14Å; I33-R36 VanDerWaalsContact O-N 3.12Å |
| 34 | Q | 45.1 | Very low | 36.9 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 67% | 0.673 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.6 | -30.8 | -176.9 | -123.7 | 152.8 | -1 | 0 | 0 | 113.5 | D30 S31 R36 Q37 | D30-Q34 WeakPolarHBondContact O-CB 3.31Å; D30-Q34 PolarHBondContact O-N 3.39Å; S31-Q34 PolarHBondContact O-N 3.21Å; Q34-R36 PolarHBondContact O-N 2.85Å; Q34-Q37 PolarHBondContact O-N 3.48Å |
| 35 | I | 36.4 | Very low | 36.1 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.9 | -22.3 | 172.7 | -67.2 | 166.4 | 0 | 0 | 0 | 111.3 | S31 I33 | S31-I35 WeakPolarHBondContact O-CD1 3.33Å; S31-I35 VanDerWaalsContact O-CG1 3.31Å; S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 3.13Å; I33-I35 PolarHBondContact O-N 3.15Å |
| 36 | R | 34.2 | Very low | 35 | Very low | 228 Ų | 228 | 135.5 Ų | 135.5 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -10.9 | -179 | -111.9 | 178.6 | -177.9 | 177.9 | 1.6 | 115.3 | I33 Q34 | I33-R36 WeakPolarHBondContact O-CB 3.36Å; I33-R36 PolarHBondContact O-N 3.14Å; I33-R36 VanDerWaalsContact O-N 3.12Å; Q34-R36 PolarHBondContact O-N 2.85Å |
| 37 | Q | 32.1 | Very low | 33.9 | Very low | 154 Ų | 154 | 134 Ų | 134 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 9.6 | -174.1 | -69 | -155 | -2.3 | 0 | 0 | 115.6 | Q34 P39 | Q34-Q37 PolarHBondContact O-N 3.48Å; Q37-P39 VanDerWaalsContact O-CD 3.23Å; Q37-P39 WeakPolarHBondContact O-CD 3.43Å |
| 38 | Q | 33.2 | Very low | 32.8 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 77% | 0.771 | 70% | 0.704 | S | S | * | * | trans | -80.6 | 112.1 | 172.2 | -72.3 | -82.4 | -46.7 | 0 | 0 | 109.7 | R40 | Q38-R40 PolarHBondContact O-N 3.12Å; Q38-R40 VanDerWaalsContact O-N 3.14Å | ||
| 39 | P | 31 | Very low | 31.8 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | trans | -73.1 | 107.7 | 179.9 | 30.3 | -30 | 0 | 0 | 0 | 108.3 | Q37 | Q37-P39 VanDerWaalsContact O-CD 3.23Å; Q37-P39 WeakPolarHBondContact O-CD 3.43Å | ||
| 40 | R | 32.4 | Very low | 31.2 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 73% | 0.728 | S | S | * | * | trans | -87 | 113.7 | 161.3 | -76.5 | -169.1 | -162.2 | -166.6 | 5.2 | 107.6 | Q38 | Q38-R40 PolarHBondContact O-N 3.12Å; Q38-R40 VanDerWaalsContact O-N 3.14Å | ||
| 41 | D | 28.8 | Very low | 30.6 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 127.1 | 165.6 | -69.9 | -44.1 | 0 | 0 | 0 | 109.1 | ||
| 42 | P | 28.3 | Very low | 30.2 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 128.4 | -175.4 | 27.6 | -31.3 | 0 | 0 | 0 | 109.9 | T44 | P42-T44 PolarHBondContact O-N 3.14Š|
| 43 | P | 27.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.7 | 168.8 | 22.9 | -22.7 | 0 | 0 | 0 | 108.4 | E45 | P43-E45 PolarHBondContact O-N 3.26Š|
| 44 | T | 24 | Very low | 30.3 | Very low | 143 Ų | 143 | 143 Ų | 143 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | trans | -74.4 | 90.3 | 177.4 | -52.4 | 0 | 0 | 0 | 0 | 108 | P42 | P42-T44 PolarHBondContact O-N 3.14Š| ||
| 45 | E | 26.5 | Very low | 30 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | trans | -136 | 108.3 | 167.7 | -135.7 | 167.5 | -161.5 | 0 | 0 | 108.4 | P43 L47 | P43-E45 PolarHBondContact O-N 3.26Å; E45-L47 VanDerWaalsContact C-N 3.26Å; E45-L47 PolarHBondContact O-N 2.92Å | ||
| 46 | T | 22.2 | Very low | 30.1 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 87% | 0.865 | 69% | 0.69 | S | S | * | * | trans | -59.2 | 85.5 | 172.2 | 35.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 47 | L | 24.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 122.2 Ų | 122.2 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | trans | -93.1 | 110.1 | 170.8 | -71.9 | 169.4 | 0 | 0 | 0 | 108 | E45 L49 | E45-L47 VanDerWaalsContact C-N 3.26Å; E45-L47 PolarHBondContact O-N 2.92Å; L47-L49 PolarHBondContact O-N 3.16Å | ||
| 48 | E | 23 | Very low | 30.7 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | trans | -41.9 | 127.2 | 169 | -64.3 | 174.2 | 151.3 | 0 | 0 | 109.4 | E50 | E48-E50 PolarHBondContact O-N 2.88Š| ||
| 49 | L | 24.5 | Very low | 31.1 | Very low | 169 Ų | 169 | 117.5 Ų | 117.5 | 89% | 0.885 | 64% | 0.639 | S | S | * | * | trans | -65.4 | 82 | 176.4 | -75.5 | 161.4 | 0 | 0 | 0 | 108.7 | L47 V51 | L47-L49 PolarHBondContact O-N 3.16Å; L49-V51 VanDerWaalsContact C-N 3.26Å; L49-V51 PolarHBondContact O-N 2.75Å | ||
| 50 | E | 23.2 | Very low | 31.5 | Very low | 170 Ų | 170 | 113.1 Ų | 113.1 | 79% | 0.794 | 61% | 0.609 | S | S | * | * | trans | -60.9 | 92.1 | 163.9 | -76 | -90.4 | 137.8 | 0 | 0 | 107.2 | E48 S52 | E48-E50 PolarHBondContact O-N 2.88Å; E50-S52 PolarHBondContact O-N 3.45Å | ||
| 51 | V | 31.9 | Very low | 31.9 | Very low | 135 Ų | 135 | 108.7 Ų | 108.7 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | trans | -65.2 | 85 | 166.4 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | L49 | L49-V51 VanDerWaalsContact C-N 3.26Å; L49-V51 PolarHBondContact O-N 2.75Å | ||
| 52 | S | 29.1 | Very low | 32.3 | Very low | 94 Ų | 94 | 108.5 Ų | 108.5 | 66% | 0.657 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -55 | 127.7 | -180 | -179.6 | 0 | 0 | 0 | 0 | 110 | E50 D54 | E50-S52 PolarHBondContact O-N 3.45Å; S52-D54 PolarHBondContact O-N 3.17Å |
| 53 | P | 38 | Very low | 32.3 | Very low | 102 Ų | 102 | 107 Ų | 107 | 66% | 0.662 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.6 | -176.7 | 24 | -30.8 | 0 | 0 | 0 | 110.7 | ||
| 54 | D | 40.4 | Very low | 32.5 | Very low | 17 Ų | 17 | 110 Ų | 110 | 9% | 0.091 | 59% | 0.585 | C | S | . | * | P | Polyproline II helix | trans | -53.2 | 123.8 | -177.9 | -166.4 | -46.1 | 0 | 0 | 0 | 112.3 | S52 A56 S57 R214 N257 | S52-D54 PolarHBondContact O-N 3.17Å; D54-A56 PolarHBondContact O-N 2.77Å; D54-A56 VanDerWaalsContact O-N 3.08Å; D54-A56 WeakPolarHBondContact OD1-CB 3.47Å; D54-A56 PolarHBondContact OD1-N 2.75Å; D54-S57 WeakPolarHBondContact O-CB 3.13Å; D54-S57 PolarHBondContact O-N 3.41Å; D54-S57 PolarHBondContact O-OG 3.45Å; D54-R214 IonicContact OD2-NE 3.46Å; D54-R214 IonicContact OD2-NH2 3.23Å; D54-R214 PolarHBondContact OD2-NH2 3.16Å; D54-N257 PolarHBondContact OD2-ND2 2.85Å; D54-N257 PolarHBondContact OD2-OD1 2.9Å |
| 55 | P | 38 | Very low | 32.5 | Very low | 43 Ų | 43 | 106.8 Ų | 106.8 | 28% | 0.279 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -66.4 | -8.4 | -177 | 21.1 | -29.9 | 0 | 0 | 0 | 115.4 | S57 Q58 T218 R222 | P55-S57 PolarHBondContact O-N 2.73Å; P55-Q58 PolarHBondContact O-N 2.9Å; P55-T218 HydrophobicContact CG-CG2 4.06Å; P55-R222 HydrophobicContact CB-CG 4.36Å; P55-R222 HydrophobicContact CG-CG 4.38Å |
| 56 | A | 40.1 | Very low | 32.5 | Very low | 0 Ų | 0 | 104.1 Ų | 104.1 | 0% | 0 | 59% | 0.585 | C | S | . | * | G | 310 helix | trans | -56.6 | -7.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113 | D54 F221 R291 | D54-A56 PolarHBondContact O-N 2.77Å; D54-A56 VanDerWaalsContact O-N 3.08Å; D54-A56 WeakPolarHBondContact OD1-CB 3.47Å; D54-A56 PolarHBondContact OD1-N 2.75Å; A56-F221 VanDerWaalsContact CA-CE1 3.46Å; A56-F221 HydrophobicContact CB-CD1 3.69Å; A56-F221 HydrophobicContact CB-CE1 3.66Å; A56-F221 HydrophobicContact CB-CG 4.31Å; A56-F221 HydrophobicContact CB-CZ 4.23Å; A56-R291 PolarHBondContact O-NH2 2.96Å |
| 57 | S | 39.2 | Very low | 32.7 | Very low | 31 Ų | 31 | 106.6 Ų | 106.6 | 22% | 0.217 | 59% | 0.587 | C | S | . | * | G | 310 helix | trans | -69.5 | -35.3 | 173.7 | -55.5 | 0 | 0 | 0 | 0 | 116 | D54 P55 K287 | D54-S57 WeakPolarHBondContact O-CB 3.13Å; D54-S57 PolarHBondContact O-N 3.41Å; D54-S57 PolarHBondContact O-OG 3.45Å; P55-S57 PolarHBondContact O-N 2.73Å; S57-K287 WeakPolarHBondContact OG-CE 3.44Å; S57-K287 PolarHBondContact OG-NZ 3.48Å |
| 58 | Q | 39 | Very low | 32.7 | Very low | 155 Ų | 155 | 109 Ų | 109 | 72% | 0.724 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -24.9 | -166.8 | -67.3 | -178.5 | 12 | 0 | 0 | 113.6 | P55 | P55-Q58 PolarHBondContact O-N 2.9Š|
| 59 | I | 41.1 | Very low | 32.7 | Very low | 65 Ų | 65 | 109.3 Ų | 109.3 | 33% | 0.333 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -78.5 | -32.6 | -169.2 | -60.5 | 176.6 | 0 | 0 | 0 | 112 | E61 H62 F221 | I59-E61 VanDerWaalsContact C-N 3.31Å; I59-E61 PolarHBondContact O-N 2.87Å; I59-H62 PolarHBondContact O-N 2.86Å; I59-F221 HydrophobicContact CB-CE1 4.11Å; I59-F221 HydrophobicContact CD1-CD1 4.03Å; I59-F221 HydrophobicContact CD1-CE1 3.98Å; I59-F221 HydrophobicContact CG1-CE1 4.42Å |
| 60 | L | 39.3 | Very low | 32.7 | Very low | 23 Ų | 23 | 108.4 Ų | 108.4 | 12% | 0.12 | 60% | 0.598 | C | S | . | * | G | 310 helix | trans | -78.4 | -11.8 | -177.7 | -121.1 | 119.3 | 0 | 0 | 0 | 114 | H62 A260 L263 L264 | L60-H62 PolarHBondContact O-N 3.17Å; L60-A260 HydrophobicContact CD1-CB 4.25Å; L60-L263 HydrophobicContact CD2-CD1 4.37Å; L60-L264 HydrophobicContact CD1-CD1 4.3Å; L60-L264 HydrophobicContact CD1-CD2 3.83Å; L60-L264 HydrophobicContact CD1-CG 3.86Å; L60-L264 HydrophobicContact CG-CD2 4.14Å |
| 61 | E | 41.3 | Very low | 32.8 | Very low | 144 Ų | 144 | 104.7 Ų | 104.7 | 67% | 0.673 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -70.2 | -11.4 | 174.4 | -67.8 | -170.9 | 174.6 | 0 | 0 | 112.6 | I59 | I59-E61 VanDerWaalsContact C-N 3.31Å; I59-E61 PolarHBondContact O-N 2.87Å |
| 62 | H | 36.7 | Very low | 32.4 | Very low | 145 Ų | 145 | 106.8 Ų | 106.8 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -126.5 | 11 | -174.8 | -87.4 | -72 | 0 | 0 | 0 | 116.4 | I59 L60 Q64 | I59-H62 PolarHBondContact O-N 2.86Å; L60-H62 PolarHBondContact O-N 3.17Å; H62-Q64 PolarHBondContact O-N 2.89Å |
| 63 | T | 29.6 | Very low | 32.2 | Very low | 77 Ų | 77 | 110.7 Ų | 110.7 | 47% | 0.472 | 61% | 0.61 | S | S | . | * | trans | -79.3 | 85.6 | 176.8 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | L264 | T63-L264 HydrophobicContact CG2-CD2 3.7Š| ||
| 64 | Q | 30.1 | Very low | 31.6 | Very low | 186 Ų | 186 | 115 Ų | 115 | 87% | 0.869 | 62% | 0.621 | S | S | * | * | trans | -94.1 | 17.5 | 172.5 | -75.3 | -174.1 | -10.9 | 0 | 0 | 114 | H62 | H62-Q64 PolarHBondContact O-N 2.89Š| ||
| 65 | G | 25.9 | Very low | 31 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 65% | 0.65 | S | S | * | * | trans | -132.6 | 10.7 | -159.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 66 | A | 26.1 | Very low | 30.4 | Very low | 100 Ų | 100 | 123 Ų | 123 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | trans | -94.3 | 3.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 67 | E | 26 | Very low | 29.9 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 90% | 0.902 | 71% | 0.713 | S | S | * | * | trans | -101.8 | 78.5 | -179.7 | -70.7 | -174.1 | 166.3 | 0 | 0 | 112.3 | ||||
| 68 | K | 23.8 | Very low | 29.3 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 85% | 0.852 | 74% | 0.743 | S | S | * | * | trans | -177.2 | 98.1 | 152.9 | -116.6 | 178.7 | 178.6 | 179.2 | 0 | 108.7 | ||||
| 69 | L | 23.3 | Very low | 29 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 93% | 0.927 | 75% | 0.75 | S | S | * | * | trans | 177.5 | 60.5 | 155.8 | -94.6 | 157.6 | 0 | 0 | 0 | 108.4 | ||||
| 70 | V | 24 | Very low | 28.1 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -132 | 86 | 162.5 | -175.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 71 | A | 25.8 | Very low | 27.5 | Very low | 91 Ų | 91 | 147.5 Ų | 147.5 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -132 | 99.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | L73 | A71-L73 PolarHBondContact O-N 2.89Š| ||
| 72 | E | 24 | Very low | 26.7 | Very low | 180 Ų | 180 | 144 Ų | 144 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -9 | 112.7 | 158.7 | -66.5 | 161.2 | 162.3 | 0 | 0 | 115.2 | ||||
| 73 | L | 24.8 | Very low | 26.2 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -117.7 | 75.4 | 158 | -77.1 | 169.3 | 0 | 0 | 0 | 107.6 | A71 G75 | A71-L73 PolarHBondContact O-N 2.89Å; L73-G75 PolarHBondContact O-N 2.99Å | ||
| 74 | E | 24.3 | Very low | 25.9 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -76.3 | 92.2 | 160.3 | -70.7 | -172.5 | 156.9 | 0 | 0 | 107.7 | ||||
| 75 | G | 27.8 | Very low | 25.8 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | -108.4 | 88.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L73 S77 | L73-G75 PolarHBondContact O-N 2.99Å; G75-S77 PolarHBondContact O-N 2.92Å | ||
| 76 | D | 25.4 | Very low | 25.9 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | -58.3 | 117.7 | 164.1 | -102.8 | -22.8 | 0 | 0 | 0 | 109.7 | ||||
| 77 | S | 29.8 | Very low | 25.9 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 76% | 0.755 | 83% | 0.833 | S | S | * | * | trans | -140.7 | 83.2 | 166.9 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | G75 K79 | G75-S77 PolarHBondContact O-N 2.92Å; S77-K79 PolarHBondContact O-N 3.2Å; S77-K79 VanDerWaalsContact O-N 3.14Å | ||
| 78 | H | 26.6 | Very low | 26.2 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -63.8 | 100.7 | 153.7 | -81.7 | -77.8 | 0 | 0 | 0 | 109.7 | ||||
| 79 | K | 32.5 | Very low | 26.7 | Very low | 200 Ų | 200 | 146 Ų | 146 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -140.4 | 89.5 | 155.4 | -76.7 | -166.7 | 179.5 | 175 | 0 | 110.6 | S77 | S77-K79 PolarHBondContact O-N 3.2Å; S77-K79 VanDerWaalsContact O-N 3.14Å | ||
| 80 | S | 23 | Very low | 27.4 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -67.6 | 126.9 | 152.3 | 56.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 81 | H | 26.3 | Very low | 28.2 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | 175.4 | 132.8 | 141.6 | -90.2 | -56.1 | 0 | 0 | 0 | 109.4 | ||||
| 82 | G | 24.4 | Very low | 29.4 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 121.1 | 99.6 | 140 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 83 | S | 26.8 | Very low | 31.1 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 77.9 | 91.5 | 134.7 | -147.6 | 0 | 0 | 0 | 0 | 118.2 | S85 | S83-S85 PolarHBondContact O-N 3Š| ||
| 84 | T | 22.7 | Very low | 33 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | 13.4 | 82.1 | 124.1 | -40.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 85 | S | 29.1 | Very low | 36 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -104.2 | 132.3 | 159.4 | -174 | 0 | 0 | 0 | 0 | 107.8 | S83 M87 | S83-S85 PolarHBondContact O-N 3Å; S85-M87 PolarHBondContact O-N 2.67Å | ||
| 86 | Q | 27.7 | Very low | 39.1 | Very low | 180 Ų | 180 | 124.3 Ų | 124.3 | 84% | 0.841 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 117.8 | -167.8 | -69.1 | 161.5 | -25.2 | 0 | 0 | 111.2 | P88 | Q86-P88 VanDerWaalsContact O-CD 3.26Å; Q86-P88 WeakPolarHBondContact O-CD 3.3Å |
| 87 | M | 25.8 | Very low | 42.3 | Very low | 175 Ų | 175 | 120.4 Ų | 120.4 | 86% | 0.862 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 118 | 168.2 | -75.2 | -90.1 | 102.3 | 0 | 0 | 108.6 | S85 | S85-M87 PolarHBondContact O-N 2.67Š|
| 88 | P | 32.4 | Very low | 45.3 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 72% | 0.721 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 142.8 | 164 | -13.1 | 29 | 0 | 0 | 0 | 107.9 | Q86 A90 | Q86-P88 VanDerWaalsContact O-CD 3.26Å; Q86-P88 WeakPolarHBondContact O-CD 3.3Å; P88-A90 PolarHBondContact O-N 3.43Å |
| 89 | E | 33.4 | Very low | 48.5 | Very low | 185 Ų | 185 | 114.1 Ų | 114.1 | 86% | 0.864 | 64% | 0.643 | S | S | * | * | trans | -31.7 | 125.8 | 178.3 | -75.8 | 168.4 | 136.9 | 0 | 0 | 112.3 | L91 | E89-L91 VanDerWaalsContact C-N 3.31Å; E89-L91 PolarHBondContact O-N 3.05Å | ||
| 90 | A | 39.8 | Very low | 51.2 | Low | 97 Ų | 97 | 110.4 Ų | 110.4 | 80% | 0.802 | 64% | 0.639 | S | S | * | * | trans | -55.4 | 94.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110 | P88 Q92 | P88-A90 PolarHBondContact O-N 3.43Å; A90-Q92 PolarHBondContact O-N 3.34Å; A90-Q92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | L | 40.2 | Very low | 54.2 | Low | 96 Ų | 96 | 110 Ų | 110 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | trans | -49.4 | 120.6 | 164.4 | -79.9 | 148.9 | 0 | 0 | 0 | 106.1 | E89 A93 K107 | E89-L91 VanDerWaalsContact C-N 3.31Å; E89-L91 PolarHBondContact O-N 3.05Å; L91-A93 PolarHBondContact O-N 2.91Å; L91-K107 HydrophobicContact CD1-CD 4.37Å | ||
| 92 | Q | 51.3 | Low | 57.2 | Low | 144 Ų | 144 | 102.9 Ų | 102.9 | 67% | 0.673 | 61% | 0.609 | S | S | * | * | trans | -53.5 | 129.3 | 178.6 | -68.7 | -89 | -33 | 0 | 0 | 106.9 | A90 S94 D95 | A90-Q92 PolarHBondContact O-N 3.34Å; A90-Q92 VanDerWaalsContact O-N 3.11Å; Q92-S94 WeakPolarHBondContact CB-OG 3.18Å; Q92-S94 PolarHBondContact O-N 2.95Å; Q92-D95 PolarHBondContact O-N 3.19Å | ||
| 93 | A | 58.8 | Low | 60.2 | Low | 86 Ų | 86 | 101 Ų | 101 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -52.4 | -18.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L91 D95 L96 | L91-A93 PolarHBondContact O-N 2.91Å; A93-D95 PolarHBondContact O-N 3.15Å; A93-L96 PolarHBondContact O-N 3.17Å |
| 94 | S | 65.5 | Low | 63.2 | Low | 71 Ų | 71 | 95.9 Ų | 95.9 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -58.7 | -20.8 | 173.5 | 59.1 | 0 | 0 | 0 | 0 | 115.5 | Q92 R111 | Q92-S94 WeakPolarHBondContact CB-OG 3.18Å; Q92-S94 PolarHBondContact O-N 2.95Å; S94-R111 PolarHBondContact OG-NH2 3.47Å |
| 95 | D | 87.1 | Confident | 66.6 | Low | 30 Ų | 30 | 90.6 Ų | 90.6 | 16% | 0.16 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -101.2 | 3.4 | -175.6 | -57.1 | -35.9 | 0 | 0 | 0 | 113 | Q92 A93 K107 I108 R111 | Q92-D95 PolarHBondContact O-N 3.19Å; A93-D95 PolarHBondContact O-N 3.15Å; D95-K107 CarbonylContact O-C 3.5Å; D95-K107 WeakPolarHBondContact O-CA 3.21Å; D95-I108 PolarHBondContact O-N 2.83Å; D95-R111 IonicContact OD1-CZ 3.71Å; D95-R111 IonicContact OD1-NE 2.92Å; D95-R111 PolarHBondContact OD1-NE 2.84Å; D95-R111 IonicContact OD1-NH2 3.74Å; D95-R111 PolarHBondContact OD1-NH2 2.94Å |
| 96 | L | 92.8 | Very high | 69.7 | Low | 53 Ų | 53 | 85.5 Ų | 85.5 | 28% | 0.277 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.2 | 173.5 | -63.2 | 178.9 | 0 | 0 | 0 | 110.7 | A93 Y98 V105 K106 K107 | A93-L96 PolarHBondContact O-N 3.17Å; L96-Y98 HydrophobicContact CB-CE2 4.11Å; L96-V105 HydrophobicContact CD2-CG1 4.32Å; L96-K106 CarbonylContact C-O 3.55Å; L96-K106 WeakPolarHBondContact CA-O 3.41Å; L96-K107 HydrophobicContact CD2-CB 3.81Å; L96-K107 HydrophobicContact CD2-CG 4.02Å |
| 97 | W | 93 | Very high | 72.9 | Confident | 77 Ų | 77 | 79.1 Ų | 79.1 | 29% | 0.292 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.1 | 171.5 | 176.5 | 91 | 0 | 0 | 0 | 109.6 | C99 F104 K106 | W97-C99 HydrophobicContact CH2-CB 4.01Å; W97-C99 VanDerWaalsContact CZ3-CA 3.48Å; W97-C99 HydrophobicContact CZ3-CB 3.72Å; W97-F104 HydrophobicContact CE3-CE2 4.18Å; W97-F104 HydrophobicContact CH2-CZ 4.37Å; W97-F104 HydrophobicContact CZ3-CE1 4.4Å; W97-F104 AromaticContact CZ3-CE2 3.68Å; W97-F104 HydrophobicContact CZ3-CE2 3.68Å; W97-F104 AromaticContact CZ3-CZ 3.6Å; W97-F104 HydrophobicContact CZ3-CZ 3.6Å; W97-K106 HydrophobicContact CB-CB 4.21Å; W97-K106 HydrophobicContact CE3-CB 3.76Å; W97-K106 HydrophobicContact CE3-CD 4.47Å; W97-K106 PolarHBondContact N-O 2.87Å; W97-K106 PolarHBondContact O-N 3.07Å |
| 98 | Y | 92.9 | Very high | 76.2 | Confident | 148 Ų | 148 | 72.3 Ų | 72.3 | 58% | 0.58 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.9 | -176.9 | -64.1 | -95.7 | 0 | 0 | 0 | 109.1 | L96 V105 | L96-Y98 HydrophobicContact CB-CE2 4.11Å; Y98-V105 HydrophobicContact CD1-CB 4.47Å; Y98-V105 HydrophobicContact CD1-CG1 4.08Å; Y98-V105 HydrophobicContact CD1-CG2 3.67Å; Y98-V105 HydrophobicContact CE1-CG1 3.95Å; Y98-V105 HydrophobicContact CE1-CG2 3.82Å |
| 99 | C | 92.7 | Very high | 79.2 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 7% | 0.068 | 40% | 0.399 | C | S | . | . | trans | -63.7 | 129.5 | 174.6 | -165.5 | 0 | 0 | 0 | 0 | 109.1 | W97 D101 G102 S103 F104 | W97-C99 HydrophobicContact CH2-CB 4.01Å; W97-C99 VanDerWaalsContact CZ3-CA 3.48Å; W97-C99 HydrophobicContact CZ3-CB 3.72Å; C99-D101 PolarHBondContact O-N 3.44Å; C99-D101 PolarHBondContact SG-OD1 3.03Å; C99-G102 PolarHBondContact O-N 3.12Å; C99-S103 PolarHBondContact SG-OG 2.83Å; C99-S103 VanDerWaalsContact SG-OG 3.36Å; C99-F104 HydrophobicContact CB-CD1 3.77Å; C99-F104 HydrophobicContact CB-CE1 3.78Å; C99-F104 HydrophobicContact CB-CG 4.2Å; C99-F104 HydrophobicContact CB-CZ 4.22Å; C99-F104 VanDerWaalsContact CB-O 3.25Å; C99-F104 WeakPolarHBondContact CB-O 3.08Å; C99-F104 PolarHBondContact N-O 2.91Å | ||
| 100 | P | 89.5 | Confident | 82.2 | Confident | 123 Ų | 123 | 65.1 Ų | 65.1 | 80% | 0.799 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.7 | -174.1 | -29.7 | 35.9 | 0 | 0 | 0 | 115.2 | ||
| 101 | D | 86.1 | Confident | 84.8 | Confident | 93 Ų | 93 | 68.2 Ų | 68.2 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 1.9 | 177 | 67.4 | 0.3 | 0 | 0 | 0 | 113.8 | C99 S103 K162 | C99-D101 PolarHBondContact O-N 3.44Å; C99-D101 PolarHBondContact SG-OD1 3.03Å; D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 PolarHBondContact O-N 2.99Å; D101-S103 WeakPolarHBondContact OD1-CB 3.02Å; D101-S103 PolarHBondContact OD1-N 3.3Å; D101-S103 PolarHBondContact OD1-OG 3.34Å; D101-S103 PolarHBondContact OD2-OG 2.85Å; D101-K162 WeakPolarHBondContact OD2-CE 3.39Å; D101-K162 IonicContact OD2-NZ 2.81Å; D101-K162 PolarHBondContact OD2-NZ 3.46Å |
| 102 | G | 88.4 | Confident | 87.4 | Confident | 48 Ų | 48 | 64.7 Ų | 64.7 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 74.2 | 7.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | C99 F104 | C99-G102 PolarHBondContact O-N 3.12Å; G102-F104 VanDerWaalsContact C-N 3.31Å; G102-F104 PolarHBondContact O-N 2.95Å |
| 103 | S | 87.8 | Confident | 89.5 | Confident | 31 Ų | 31 | 63.1 Ų | 63.1 | 22% | 0.217 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -65.2 | -30.3 | -176.5 | 54.3 | 0 | 0 | 0 | 0 | 114 | C99 D101 P178 | C99-S103 PolarHBondContact SG-OG 2.83Å; C99-S103 VanDerWaalsContact SG-OG 3.36Å; D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 PolarHBondContact O-N 2.99Å; D101-S103 WeakPolarHBondContact OD1-CB 3.02Å; D101-S103 PolarHBondContact OD1-N 3.3Å; D101-S103 PolarHBondContact OD1-OG 3.34Å; D101-S103 PolarHBondContact OD2-OG 2.85Å; S103-P178 WeakPolarHBondContact O-CD 3.49Å |
| 104 | F | 91.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | trans | -159.6 | 163.6 | 174.9 | 65.5 | -82.2 | 0 | 0 | 0 | 112.3 | W97 C99 G102 K106 L159 K162 C163 L175 Q176 L177 | W97-F104 HydrophobicContact CE3-CE2 4.18Å; W97-F104 HydrophobicContact CH2-CZ 4.37Å; W97-F104 HydrophobicContact CZ3-CE1 4.4Å; W97-F104 AromaticContact CZ3-CE2 3.68Å; W97-F104 HydrophobicContact CZ3-CE2 3.68Å; W97-F104 AromaticContact CZ3-CZ 3.6Å; W97-F104 HydrophobicContact CZ3-CZ 3.6Å; C99-F104 HydrophobicContact CB-CD1 3.77Å; C99-F104 HydrophobicContact CB-CE1 3.78Å; C99-F104 HydrophobicContact CB-CG 4.2Å; C99-F104 HydrophobicContact CB-CZ 4.22Å; C99-F104 VanDerWaalsContact CB-O 3.25Å; C99-F104 WeakPolarHBondContact CB-O 3.08Å; C99-F104 PolarHBondContact N-O 2.91Å; G102-F104 VanDerWaalsContact C-N 3.31Å; G102-F104 PolarHBondContact O-N 2.95Å; F104-K106 HydrophobicContact CD2-CB 4.19Å; F104-K106 HydrophobicContact CE2-CB 3.92Å; F104-L159 HydrophobicContact CB-CD2 4.49Å; F104-L159 HydrophobicContact CD1-CD2 3.54Å; F104-L159 HydrophobicContact CE1-CD2 4.14Å; F104-L159 HydrophobicContact CG-CD2 4.37Å; F104-K162 HydrophobicContact CE1-CB 3.9Å; F104-K162 HydrophobicContact CZ-CB 4.2Å; F104-C163 HydrophobicContact CE2-CB 4.15Å; F104-C163 HydrophobicContact CZ-CB 3.9Å; F104-L175 HydrophobicContact CD2-CB 4.43Å; F104-L175 HydrophobicContact CD2-CD2 3.71Å; F104-L175 HydrophobicContact CD2-CG 4.45Å; F104-L175 HydrophobicContact CE2-CD2 3.64Å; F104-Q176 WeakPolarHBondContact CA-O 3.5Å; F104-L177 HydrophobicContact CB-CD2 3.47Å; F104-L177 VanDerWaalsContact CB-CD2 3.47Å; F104-L177 HydrophobicContact CG-CD2 4.48Å | ||
| 105 | V | 92.5 | Very high | 92.4 | Very high | 34 Ų | 34 | 65.9 Ų | 65.9 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126 | 164.3 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | L96 Y98 Q176 | L96-V105 HydrophobicContact CD2-CG1 4.32Å; Y98-V105 HydrophobicContact CD1-CB 4.47Å; Y98-V105 HydrophobicContact CD1-CG1 4.08Å; Y98-V105 HydrophobicContact CD1-CG2 3.67Å; Y98-V105 HydrophobicContact CE1-CG1 3.95Å; Y98-V105 HydrophobicContact CE1-CG2 3.82Å; V105-Q176 HydrophobicContact CB-CB 4.36Å; V105-Q176 PolarHBondContact N-O 2.72Å; V105-Q176 PolarHBondContact O-N 2.8Å |
| 106 | K | 93.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.009 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.4 | 175.4 | -171.6 | 179.3 | 69.2 | 161 | 0 | 109.1 | L96 W97 F104 S166 M167 E171 A173 L175 | L96-K106 CarbonylContact C-O 3.55Å; L96-K106 WeakPolarHBondContact CA-O 3.41Å; W97-K106 HydrophobicContact CB-CB 4.21Å; W97-K106 HydrophobicContact CE3-CB 3.76Å; W97-K106 HydrophobicContact CE3-CD 4.47Å; W97-K106 PolarHBondContact N-O 2.87Å; W97-K106 PolarHBondContact O-N 3.07Å; F104-K106 HydrophobicContact CD2-CB 4.19Å; F104-K106 HydrophobicContact CE2-CB 3.92Å; K106-S166 WeakPolarHBondContact CE-OG 3.45Å; K106-S166 PolarHBondContact NZ-O 2.88Å; K106-S166 PolarHBondContact NZ-OG 2.93Å; K106-M167 HydrophobicContact CD-CG 4.43Å; K106-E171 WeakPolarHBondContact CE-OE1 3.43Å; K106-E171 IonicContact NZ-OE1 2.67Å; K106-E171 PolarHBondContact NZ-OE1 2.82Å; K106-E171 IonicContact NZ-OE2 3.93Å; K106-A173 HydrophobicContact CD-CB 3.77Å; K106-A173 HydrophobicContact CG-CB 3.56Å; K106-L175 HydrophobicContact CB-CD2 4.19Å; K106-L175 HydrophobicContact CG-CD2 3.92Å |
| 107 | K | 94.8 | Very high | 92.9 | Very high | 45 Ų | 45 | 71.7 Ų | 71.7 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.1 | 168.5 | 178.2 | -172.7 | 169.7 | -161.7 | 0 | 109 | L91 D95 L96 V109 A173 E174 | L91-K107 HydrophobicContact CD1-CD 4.37Å; D95-K107 CarbonylContact O-C 3.5Å; D95-K107 WeakPolarHBondContact O-CA 3.21Å; L96-K107 HydrophobicContact CD2-CB 3.81Å; L96-K107 HydrophobicContact CD2-CG 4.02Å; K107-V109 PolarHBondContact O-N 3.38Å; K107-A173 CarbonylContact O-C 3.57Å; K107-A173 VanDerWaalsContact O-CA 3.24Å; K107-A173 WeakPolarHBondContact O-CA 3.24Å; K107-E174 HydrophobicContact CB-CB 4.34Å; K107-E174 PolarHBondContact N-O 3.47Å; K107-E174 IonicContact NZ-OE2 3.42Å; K107-E174 PolarHBondContact O-N 2.92Å |
| 108 | I | 95.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 116.3 | 177.7 | -55.5 | 174.9 | 0 | 0 | 0 | 108 | D95 I110 R111 E171 | D95-I108 PolarHBondContact O-N 2.83Å; I108-I110 WeakPolarHBondContact CG2-O 3.34Å; I108-R111 HydrophobicContact CG2-CG 3.98Å; I108-E171 HydrophobicContact CG2-CG 4.02Å |
| 109 | V | 95.3 | Very high | 93.1 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -46.6 | 178.7 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | K107 E172 E174 | K107-V109 PolarHBondContact O-N 3.38Å; V109-E172 WeakPolarHBondContact CA-O 3.35Å; V109-E172 HydrophobicContact CB-CG 4.39Å; V109-E172 PolarHBondContact N-O 3.49Å; V109-E174 HydrophobicContact CG2-CB 4.29Å; V109-E174 HydrophobicContact CG2-CG 3.71Å |
| 110 | I | 95.8 | Very high | 93 | Very high | 86 Ų | 86 | 65.2 Ų | 65.2 | 44% | 0.441 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.8 | 172.9 | -55.7 | -179.3 | 0 | 0 | 0 | 107.1 | I108 E171 E172 | I108-I110 WeakPolarHBondContact CG2-O 3.34Å; I110-E171 WeakPolarHBondContact O-CA 3.33Å; I110-E171 WeakPolarHBondContact O-CG 3.48Å; I110-E172 HydrophobicContact CB-CB 3.81Å; I110-E172 HydrophobicContact CD1-CB 4.19Å; I110-E172 VanDerWaalsContact CD1-OE2 3.28Å; I110-E172 WeakPolarHBondContact CD1-OE2 3.46Å; I110-E172 HydrophobicContact CG1-CB 3.98Å; I110-E172 PolarHBondContact N-O 2.62Å; I110-E172 PolarHBondContact O-N 3.4Å |
| 111 | R | 94.8 | Very high | 93 | Very high | 161 Ų | 161 | 61.1 Ų | 61.1 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | trans | -72.8 | 131.7 | 176.5 | -69.8 | -171.4 | 178.2 | 179.6 | 0.8 | 110.2 | S94 D95 I108 | S94-R111 PolarHBondContact OG-NH2 3.47Å; D95-R111 IonicContact OD1-CZ 3.71Å; D95-R111 IonicContact OD1-NE 2.92Å; D95-R111 PolarHBondContact OD1-NE 2.84Å; D95-R111 IonicContact OD1-NH2 3.74Å; D95-R111 PolarHBondContact OD1-NH2 2.94Å; I108-R111 HydrophobicContact CG2-CG 3.98Å | ||
| 112 | G | 94.7 | Very high | 93.5 | Very high | 23 Ų | 23 | 56.7 Ų | 56.7 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | trans | -71.8 | 170.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q169 | G112-Q169 CarbonylContact C-O 3.44Å; G112-Q169 WeakPolarHBondContact CA-O 3.5Å | ||
| 113 | H | 95.3 | Very high | 93.9 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 51% | 0.514 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -112.7 | 160 | 176.2 | 62 | -90.7 | 0 | 0 | 0 | 111.6 | Q169 | H113-Q169 PolarHBondContact CE1-O 2.75Å; H113-Q169 PolarHBondContact N-O 2.81Å; H113-Q169 PolarHBondContact ND1-O 3.2Å; H113-Q169 VanDerWaalsContact ND1-O 3.17Å; H113-Q169 PolarHBondContact NE2-NE2 3.4Å; H113-Q169 VanDerWaalsContact NE2-NE2 3.14Å |
| 114 | G | 93.8 | Very high | 94.3 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 56% | 0.557 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 77.8 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | C168 | G114-C168 PolarHBondContact O-SG 3.13Š|
| 115 | L | 91.8 | Very high | 94.6 | Very high | 161 Ų | 161 | 60 Ų | 60 | 84% | 0.843 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -112.6 | -19.4 | -179.5 | -61.9 | 178.1 | 0 | 0 | 0 | 112.7 | ||
| 116 | D | 94.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 58.4 Ų | 58.4 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | trans | -70.8 | 147.9 | 179.2 | -64.6 | -46.9 | 0 | 0 | 0 | 110.9 | F192 | D116-F192 HydrophobicContact CB-CE2 4.35Å; D116-F192 HydrophobicContact CB-CZ 3.86Å; D116-F192 WeakPolarHBondContact O-CZ 3.43Å | ||
| 117 | K | 96.4 | Very high | 94.7 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | trans | -131.7 | 151.9 | 179.3 | -56.9 | -172 | 179.3 | -166.4 | 0 | 110.5 | K119 E165 S166 M167 F192 | K117-K119 PolarHBondContact O-N 3Å; K117-E165 WeakPolarHBondContact CD-O 3.4Å; K117-S166 PolarHBondContact NZ-O 3.5Å; K117-M167 WeakPolarHBondContact CG-O 3.47Å; K117-F192 VanDerWaalsContact C-CE2 3.47Å | ||
| 118 | P | 97.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | trans | -51.2 | 135.1 | 169.1 | -28.3 | 35.3 | 0 | 0 | 0 | 112.4 | C124 M146 L164 M167 L189 F192 | P118-C124 VanDerWaalsContact CB-SG 3.6Å; P118-M146 HydrophobicContact CB-CE 4.2Å; P118-M146 HydrophobicContact CB-CG 3.76Å; P118-M146 HydrophobicContact CB-SD 3.98Å; P118-L164 HydrophobicContact CB-CB 4.4Å; P118-L164 VanDerWaalsContact CD-O 3.29Å; P118-L164 WeakPolarHBondContact CD-O 3.49Å; P118-L164 HydrophobicContact CG-CB 4.41Å; P118-L164 WeakPolarHBondContact CG-O 3.28Å; P118-M167 VanDerWaalsContact CD-O 3.31Å; P118-M167 WeakPolarHBondContact CD-O 3.39Å; P118-L189 HydrophobicContact CG-CD1 4.47Å; P118-L189 HydrophobicContact CG-CD2 3.57Å; P118-F192 HydrophobicContact CB-CD2 4.49Å; P118-F192 HydrophobicContact CG-CB 4.28Å; P118-F192 HydrophobicContact CG-CD1 3.97Å; P118-F192 HydrophobicContact CG-CD2 4.13Å; P118-F192 HydrophobicContact CG-CE1 4.37Å; P118-F192 HydrophobicContact CG-CG 3.86Å | ||
| 119 | K | 92.5 | Very high | 93.9 | Very high | 46 Ų | 46 | 59.6 Ų | 59.6 | 20% | 0.2 | 32% | 0.318 | C | S | . | . | trans | -141.6 | 177.6 | 174.9 | 66.1 | 179.2 | 103.9 | 175.6 | 0 | 109.5 | K117 G121 S122 M146 G195 D197 | K117-K119 PolarHBondContact O-N 3Å; K119-G121 PolarHBondContact O-N 2.95Å; K119-S122 PolarHBondContact N-OG 2.99Å; K119-S122 VanDerWaalsContact N-OG 3.15Å; K119-S122 WeakPolarHBondContact O-CB 3.42Å; K119-S122 PolarHBondContact O-N 3.32Å; K119-S122 PolarHBondContact O-OG 3.45Å; K119-M146 WeakPolarHBondContact O-CB 3.26Å; K119-M146 WeakPolarHBondContact O-CG 3.41Å; K119-G195 WeakPolarHBondContact CD-O 3.42Å; K119-D197 WeakPolarHBondContact CD-OD1 3.43Å; K119-D197 VanDerWaalsContact NZ-CG 3.33Å; K119-D197 IonicContact NZ-OD1 2.89Å; K119-D197 IonicContact NZ-OD2 3.43Å; K119-D197 PolarHBondContact NZ-OD2 3.31Å | ||
| 120 | L | 90.6 | Very high | 93.2 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | 122.9 | -178.9 | -177.5 | 59.3 | 0 | 0 | 0 | 112.5 | G195 R196 L201 L209 L239 | L120-G195 WeakPolarHBondContact O-CA 3.45Å; L120-R196 PolarHBondContact O-N 3.21Å; L120-L201 HydrophobicContact CD2-CD1 3.84Å; L120-L209 HydrophobicContact CD2-CD1 4.12Å; L120-L239 HydrophobicContact CD2-CD2 3.93Å |
| 121 | G | 90 | Very high | 92.1 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 38% | 0.381 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -8.1 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | K119 C123 M146 | K119-G121 PolarHBondContact O-N 2.95Å; G121-C123 PolarHBondContact O-N 3.09Å; G121-M146 PolarHBondContact N-O 3.38Å |
| 122 | S | 95.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -62.5 | 124.9 | 171 | -74.8 | 0 | 0 | 0 | 0 | 110.6 | K119 T145 M146 T193 G195 | K119-S122 PolarHBondContact N-OG 2.99Å; K119-S122 VanDerWaalsContact N-OG 3.15Å; K119-S122 WeakPolarHBondContact O-CB 3.42Å; K119-S122 PolarHBondContact O-N 3.32Å; K119-S122 PolarHBondContact O-OG 3.45Å; S122-T145 CarbonylContact O-C 3.58Å; S122-T145 WeakPolarHBondContact O-CA 3.42Å; S122-M146 WeakPolarHBondContact O-CG 3.08Å; S122-M146 PolarHBondContact O-N 2.77Å; S122-T193 VanDerWaalsContact CA-O 3.3Å; S122-T193 WeakPolarHBondContact CA-O 3.35Å; S122-T193 WeakPolarHBondContact CB-O 3.21Å; S122-T193 PolarHBondContact OG-O 3.48Å; S122-G195 WeakPolarHBondContact OG-CA 3.5Å; S122-G195 PolarHBondContact OG-N 2.93Å | ||
| 123 | C | 96.7 | Very high | 89.2 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 115.8 | 169.1 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | G121 L144 F192 T193 | G121-C123 PolarHBondContact O-N 3.09Å; C123-L144 CarbonylContact C-O 3.51Å; C123-F192 CarbonylContact O-C 3.56Å; C123-F192 WeakPolarHBondContact O-CA 3.4Å; C123-F192 WeakPolarHBondContact O-CB 3.39Å; C123-T193 HydrophobicContact CB-CG2 4.28Å; C123-T193 WeakPolarHBondContact CB-OG1 3.48Å; C123-T193 PolarHBondContact N-OG1 2.89Å; C123-T193 PolarHBondContact O-N 2.98Å |
| 124 | C | 97.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.5 | -174.7 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | P118 V126 E143 L144 L164 L189 S191 F192 | P118-C124 VanDerWaalsContact CB-SG 3.6Å; C124-V126 HydrophobicContact CB-CG1 3.83Å; C124-E143 WeakPolarHBondContact O-CA 3.41Å; C124-L144 PolarHBondContact N-O 2.91Å; C124-L144 PolarHBondContact O-N 3.49Å; C124-L164 HydrophobicContact CB-CD1 4.46Å; C124-L189 HydrophobicContact CB-CD1 3.91Å; C124-S191 WeakPolarHBondContact CA-O 3.14Å; C124-F192 HydrophobicContact CB-CB 4.26Å |
| 125 | R | 97.2 | Very high | 86.2 | Confident | 111 Ų | 111 | 57.1 Ų | 57.1 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111.8 | 168.3 | -173 | 179.3 | -179.6 | 124.5 | -3.1 | 108.9 | W141 T142 E143 A190 S191 | R125-W141 HydrophobicContact CG-CE3 3.86Å; R125-W141 HydrophobicContact CG-CZ3 4.42Å; R125-T142 WeakPolarHBondContact CA-O 3.49Å; R125-E143 HydrophobicContact CB-CG 4.45Å; R125-E143 HydrophobicContact CG-CG 4.45Å; R125-A190 HydrophobicContact CB-CB 4.42Å; R125-A190 HydrophobicContact CG-CB 4.37Å; R125-A190 PolarHBondContact O-N 2.88Å; R125-S191 PolarHBondContact N-O 3.24Å |
| 126 | V | 95.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.1 | -171.2 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | C124 W141 T142 L144 L164 T188 L189 | C124-V126 HydrophobicContact CB-CG1 3.83Å; V126-W141 WeakPolarHBondContact O-CA 3.4Å; V126-T142 PolarHBondContact N-O 2.97Å; V126-T142 PolarHBondContact O-N 2.85Å; V126-L144 HydrophobicContact CG2-CD1 3.45Å; V126-L144 VanDerWaalsContact CG2-CD1 3.45Å; V126-L144 HydrophobicContact CG2-CG 3.92Å; V126-L164 HydrophobicContact CG1-CD1 3.97Å; V126-L164 HydrophobicContact CG1-CD2 3.61Å; V126-L164 HydrophobicContact CG1-CG 4.45Å; V126-T188 CarbonylContact C-O 3.6Å; V126-T188 WeakPolarHBondContact CA-O 3.04Å; V126-L189 HydrophobicContact CG1-CD1 4.09Å |
| 127 | L | 92.9 | Very high | 83.6 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.8 | 166.7 | 173.2 | 64.7 | 0 | 0 | 0 | 107.5 | L129 G140 W141 L187 T188 | L127-L129 HydrophobicContact CD1-CD2 4.13Å; L127-L129 HydrophobicContact CD1-CG 4.17Å; L127-L129 HydrophobicContact CD2-CD1 4.22Å; L127-L129 HydrophobicContact CG-CD1 4.26Å; L127-L129 HydrophobicContact CG-CG 4.15Å; L127-G140 VanDerWaalsContact CD1-O 3.26Å; L127-G140 WeakPolarHBondContact CD1-O 3.31Å; L127-W141 HydrophobicContact CB-CD2 3.82Å; L127-W141 HydrophobicContact CB-CE3 3.73Å; L127-W141 HydrophobicContact CB-CH2 3.74Å; L127-W141 HydrophobicContact CB-CZ2 3.85Å; L127-W141 HydrophobicContact CB-CZ3 3.68Å; L127-W141 HydrophobicContact CD2-CZ2 4.03Å; L127-L187 CarbonylContact O-C 3.59Å; L127-L187 WeakPolarHBondContact O-CA 3.28Å; L127-T188 PolarHBondContact N-O 2.8Å; L127-T188 PolarHBondContact O-N 3.3Å |
| 128 | A | 88.1 | Confident | 82.3 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | F131 P137 R186 L187 | A128-F131 HydrophobicContact CB-CD2 4.15Å; A128-F131 HydrophobicContact CB-CE2 3.3Å; A128-F131 HydrophobicContact CB-CZ 4.06Å; A128-P137 HydrophobicContact CB-CG 3.44Å; A128-P137 VanDerWaalsContact CB-CG 3.44Å; A128-R186 WeakPolarHBondContact CA-O 3.49Å; A128-L187 HydrophobicContact CB-CD1 3.69Å |
| 129 | L | 86.6 | Confident | 81.2 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 37% | 0.366 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 155.7 | -174.7 | -63.2 | 174.5 | 0 | 0 | 0 | 110.9 | L127 F131 V185 R186 | L127-L129 HydrophobicContact CD1-CD2 4.13Å; L127-L129 HydrophobicContact CD1-CG 4.17Å; L127-L129 HydrophobicContact CD2-CD1 4.22Å; L127-L129 HydrophobicContact CG-CD1 4.26Å; L127-L129 HydrophobicContact CG-CG 4.15Å; L129-F131 VanDerWaalsContact C-N 3.33Å; L129-F131 PolarHBondContact O-N 3.04Å; L129-V185 CarbonylContact O-C 3.58Å; L129-V185 WeakPolarHBondContact O-CA 3.4Å; L129-R186 HydrophobicContact CB-CB 4.43Å; L129-R186 PolarHBondContact N-O 3.14Å; L129-R186 PolarHBondContact O-N 2.93Å |
| 130 | G | 80 | Confident | 80.7 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | trans | 81 | 7.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 131 | F | 73.1 | Confident | 80.7 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | trans | -64.2 | 140 | 169.5 | -64.2 | -81.8 | 0 | 0 | 0 | 109.9 | A128 L129 F133 P137 W156 I160 V185 | A128-F131 HydrophobicContact CB-CD2 4.15Å; A128-F131 HydrophobicContact CB-CE2 3.3Å; A128-F131 HydrophobicContact CB-CZ 4.06Å; L129-F131 VanDerWaalsContact C-N 3.33Å; L129-F131 PolarHBondContact O-N 3.04Å; F131-F133 PolarHBondContact O-N 3.28Å; F131-P137 HydrophobicContact CE2-CG 4.48Å; F131-W156 HydrophobicContact CD1-CB 3.77Å; F131-W156 AromaticContact CD1-CD1 3.61Å; F131-W156 AromaticContact CD1-CD2 3.49Å; F131-W156 HydrophobicContact CD1-CD2 3.49Å; F131-W156 VanDerWaalsContact CD1-CD2 3.49Å; F131-W156 AromaticContact CD1-CE2 3.89Å; F131-W156 AromaticContact CD1-CE3 3.97Å; F131-W156 HydrophobicContact CD1-CE3 3.97Å; F131-W156 AromaticContact CD1-CG 3.35Å; F131-W156 HydrophobicContact CD1-CG 3.35Å; F131-W156 AromaticContact CD1-NE1 3.91Å; F131-W156 HydrophobicContact CE1-CB 3.48Å; F131-W156 VanDerWaalsContact CE1-CB 3.48Å; F131-W156 AromaticContact CE1-CD2 3.67Å; F131-W156 HydrophobicContact CE1-CD2 3.67Å; F131-W156 AromaticContact CE1-CE3 3.77Å; F131-W156 HydrophobicContact CE1-CE3 3.77Å; F131-W156 AromaticContact CE1-CG 3.52Å; F131-W156 HydrophobicContact CE1-CG 3.52Å; F131-I160 HydrophobicContact CE1-CD1 3.98Å; F131-I160 HydrophobicContact CE1-CG1 4.18Å; F131-I160 HydrophobicContact CZ-CD1 3.69Å; F131-I160 HydrophobicContact CZ-CG1 3.86Å; F131-V185 HydrophobicContact CD1-CG1 3.98Å; F131-V185 HydrophobicContact CD1-CG2 4.08Å; F131-V185 HydrophobicContact CD2-CG1 4.29Å; F131-V185 HydrophobicContact CE1-CB 4.44Å; F131-V185 HydrophobicContact CE1-CG1 3.38Å; F131-V185 HydrophobicContact CE1-CG2 4.21Å; F131-V185 HydrophobicContact CE2-CG1 3.66Å; F131-V185 HydrophobicContact CG-CG1 4.42Å; F131-V185 HydrophobicContact CZ-CG1 3.21Å | ||
| 132 | P | 67.8 | Low | 80.8 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -51.7 | 138.4 | 169.3 | -22.8 | 31.3 | 0 | 0 | 0 | 110.3 | G134 S135 W156 | P132-G134 PolarHBondContact O-N 3.05Å; P132-G134 VanDerWaalsContact O-N 3.16Å; P132-S135 WeakPolarHBondContact O-CB 3.29Å; P132-S135 PolarHBondContact O-N 2.98Å; P132-S135 PolarHBondContact O-OG 2.73Å; P132-W156 HydrophobicContact CG-CZ2 3.91Å |
| 133 | F | 59.6 | Low | 80.7 | Confident | 214 Ų | 214 | 61.7 Ų | 61.7 | 94% | 0.939 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.2 | 116.8 | -173.2 | -78.3 | -80 | 0 | 0 | 0 | 113.4 | F131 S135 | F131-F133 PolarHBondContact O-N 3.28Å; F133-S135 VanDerWaalsContact C-N 3.34Å; F133-S135 PolarHBondContact O-N 3.43Å |
| 134 | G | 61.2 | Low | 80.5 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 91% | 0.907 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | P132 | P132-G134 PolarHBondContact O-N 3.05Å; P132-G134 VanDerWaalsContact O-N 3.16Å |
| 135 | S | 66.1 | Low | 80.4 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -99 | -12 | -176.9 | 65.1 | 0 | 0 | 0 | 0 | 115.4 | P132 F133 W156 | P132-S135 WeakPolarHBondContact O-CB 3.29Å; P132-S135 PolarHBondContact O-N 2.98Å; P132-S135 PolarHBondContact O-OG 2.73Å; F133-S135 VanDerWaalsContact C-N 3.34Å; F133-S135 PolarHBondContact O-N 3.43Å; S135-W156 VanDerWaalsContact O-CD1 3.27Å; S135-W156 PolarHBondContact OG-NE1 3.37Å |
| 136 | G | 64.6 | Low | 80.2 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -121.9 | -174.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 137 | P | 66.7 | Low | 79.8 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -62 | 158.7 | 179.7 | 29.3 | -37 | 0 | 0 | 0 | 110.6 | A128 F131 E139 T142 I160 | A128-P137 HydrophobicContact CB-CG 3.44Å; A128-P137 VanDerWaalsContact CB-CG 3.44Å; F131-P137 HydrophobicContact CE2-CG 4.48Å; P137-E139 PolarHBondContact O-N 3.18Å; P137-T142 HydrophobicContact CB-CG2 4.39Å; P137-I160 HydrophobicContact CG-CD1 3.98Å |
| 138 | P | 70.1 | Confident | 79.4 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 139.7 | -179.4 | -26.9 | 31.1 | 0 | 0 | 0 | 112.9 | G140 T142 | P138-G140 PolarHBondContact O-N 3.23Å; P138-T142 HydrophobicContact CB-CG2 4.25Å; P138-T142 HydrophobicContact CG-CG2 4.42Å; P138-T142 WeakPolarHBondContact O-CG2 3.44Å |
| 139 | E | 73.3 | Confident | 79.2 | Confident | 178 Ų | 178 | 59.6 Ų | 59.6 | 83% | 0.832 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -59.1 | 122.8 | 173.3 | -72.8 | -172 | 175.5 | 0 | 0 | 109.8 | P137 | P137-E139 PolarHBondContact O-N 3.18Š|
| 140 | G | 82.7 | Confident | 78.7 | Confident | 27 Ų | 27 | 61 Ų | 61 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.7 | -169.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L127 P138 | L127-G140 VanDerWaalsContact CD1-O 3.26Å; L127-G140 WeakPolarHBondContact CD1-O 3.31Å; P138-G140 PolarHBondContact O-N 3.23Å |
| 141 | W | 90.6 | Very high | 78.9 | Confident | 123 Ų | 123 | 60.2 Ų | 60.2 | 47% | 0.466 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 127.3 | 179.8 | -72.5 | 97.9 | 0 | 0 | 0 | 110.3 | R125 V126 L127 T188 A190 | R125-W141 HydrophobicContact CG-CE3 3.86Å; R125-W141 HydrophobicContact CG-CZ3 4.42Å; V126-W141 WeakPolarHBondContact O-CA 3.4Å; L127-W141 HydrophobicContact CB-CD2 3.82Å; L127-W141 HydrophobicContact CB-CE3 3.73Å; L127-W141 HydrophobicContact CB-CH2 3.74Å; L127-W141 HydrophobicContact CB-CZ2 3.85Å; L127-W141 HydrophobicContact CB-CZ3 3.68Å; L127-W141 HydrophobicContact CD2-CZ2 4.03Å; W141-T188 HydrophobicContact CH2-CG2 3.92Å; W141-A190 HydrophobicContact CE3-CB 4.17Å; W141-A190 HydrophobicContact CH2-CB 3.52Å; W141-A190 HydrophobicContact CZ3-CB 3.3Å |
| 142 | T | 91.8 | Very high | 79.5 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 155.8 | 177.6 | 85.5 | 0 | 0 | 0 | 0 | 109.9 | R125 V126 P137 P138 | R125-T142 WeakPolarHBondContact CA-O 3.49Å; V126-T142 PolarHBondContact N-O 2.97Å; V126-T142 PolarHBondContact O-N 2.85Å; P137-T142 HydrophobicContact CB-CG2 4.39Å; P138-T142 HydrophobicContact CB-CG2 4.25Å; P138-T142 HydrophobicContact CG-CG2 4.42Å; P138-T142 WeakPolarHBondContact O-CG2 3.44Å |
| 143 | E | 93.5 | Very high | 79.7 | Confident | 131 Ų | 131 | 60.8 Ų | 60.8 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125 | 173 | -69 | -176.4 | 163.7 | 0 | 0 | 108.9 | C124 R125 | C124-E143 WeakPolarHBondContact O-CA 3.41Å; R125-E143 HydrophobicContact CB-CG 4.45Å; R125-E143 HydrophobicContact CG-CG 4.45Å |
| 144 | L | 93 | Very high | 80.6 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.8 | -177.1 | -55.3 | 175.3 | 0 | 0 | 0 | 108.9 | C123 C124 V126 W151 I160 | C123-L144 CarbonylContact C-O 3.51Å; C124-L144 PolarHBondContact N-O 2.91Å; C124-L144 PolarHBondContact O-N 3.49Å; V126-L144 HydrophobicContact CG2-CD1 3.45Å; V126-L144 VanDerWaalsContact CG2-CD1 3.45Å; V126-L144 HydrophobicContact CG2-CG 3.92Å; L144-W151 HydrophobicContact CB-CD2 4.28Å; L144-W151 HydrophobicContact CB-CZ2 4.21Å; L144-W151 HydrophobicContact CD1-CD2 4.12Å; L144-W151 HydrophobicContact CD1-CE3 4Å; L144-W151 HydrophobicContact CD1-CZ3 4.27Å; L144-W151 HydrophobicContact CD2-CB 3.85Å; L144-W151 HydrophobicContact CD2-CD2 3.97Å; L144-W151 HydrophobicContact CD2-CG 3.64Å; L144-W151 HydrophobicContact CG-CD2 4.36Å; L144-I160 HydrophobicContact CD1-CG2 4.19Å |
| 145 | T | 93.7 | Very high | 81.2 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.8 | 173.7 | -57.8 | 0 | 0 | 0 | 0 | 110 | S122 G147 V148 W151 | S122-T145 CarbonylContact O-C 3.58Å; S122-T145 WeakPolarHBondContact O-CA 3.42Å; T145-G147 PolarHBondContact O-N 3.24Å; T145-V148 HydrophobicContact CG2-CB 3.96Å; T145-V148 HydrophobicContact CG2-CG2 4.19Å; T145-V148 PolarHBondContact O-N 3.35Å; T145-W151 WeakPolarHBondContact O-CZ2 3.12Å; T145-W151 PolarHBondContact O-NE1 2.91Å |
| 146 | M | 92.9 | Very high | 81.9 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 126.7 | 177.9 | -65.1 | -56.4 | -69.1 | 0 | 0 | 110.8 | P118 K119 G121 S122 V148 E161 L164 E165 | P118-M146 HydrophobicContact CB-CE 4.2Å; P118-M146 HydrophobicContact CB-CG 3.76Å; P118-M146 HydrophobicContact CB-SD 3.98Å; K119-M146 WeakPolarHBondContact O-CB 3.26Å; K119-M146 WeakPolarHBondContact O-CG 3.41Å; G121-M146 PolarHBondContact N-O 3.38Å; S122-M146 WeakPolarHBondContact O-CG 3.08Å; S122-M146 PolarHBondContact O-N 2.77Å; M146-V148 PolarHBondContact O-N 3.34Å; M146-E161 HydrophobicContact CE-CG 3.71Å; M146-E161 WeakPolarHBondContact CE-O 3.36Å; M146-L164 HydrophobicContact CE-CB 3.98Å; M146-L164 HydrophobicContact SD-CB 3.8Å; M146-L164 HydrophobicContact SD-CD1 3.86Å; M146-E165 HydrophobicContact CE-CB 4.49Å; M146-E165 HydrophobicContact CE-CG 3.39Å |
| 147 | G | 86.9 | Confident | 82.9 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -4.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T145 R152 E161 | T145-G147 PolarHBondContact O-N 3.24Å; G147-R152 PolarHBondContact O-NH1 2.99Å; G147-E161 VanDerWaalsContact CA-OE1 3.24Å; G147-E161 WeakPolarHBondContact CA-OE1 3.42Å; G147-E161 PolarHBondContact N-OE1 2.81Å |
| 148 | V | 85.1 | Confident | 83.7 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -132.9 | 134.3 | -172.3 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | T145 M146 W151 | T145-V148 HydrophobicContact CG2-CB 3.96Å; T145-V148 HydrophobicContact CG2-CG2 4.19Å; T145-V148 PolarHBondContact O-N 3.35Å; M146-V148 PolarHBondContact O-N 3.34Å; V148-W151 PolarHBondContact O-NE1 3.2Å |
| 149 | G | 82.9 | Confident | 84.5 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 108.4 | 167.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | W151 | G149-W151 VanDerWaalsContact C-N 3.35Å; G149-W151 PolarHBondContact O-N 2.87Å |
| 150 | P | 76.8 | Confident | 85.4 | Confident | 99 Ų | 99 | 45.1 Ų | 45.1 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -73.7 | -22.5 | -169.2 | 29.1 | -36 | 0 | 0 | 0 | 113.7 | R152 E153 | P150-R152 PolarHBondContact O-N 2.8Å; P150-E153 WeakPolarHBondContact O-CB 3.36Å; P150-E153 PolarHBondContact O-N 3.33Å |
| 151 | W | 84.7 | Confident | 85.9 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -54.7 | -23.3 | 177.7 | 68.8 | -87.4 | 0 | 0 | 0 | 113.3 | L144 T145 V148 G149 E153 G157 I160 E161 | L144-W151 HydrophobicContact CB-CD2 4.28Å; L144-W151 HydrophobicContact CB-CZ2 4.21Å; L144-W151 HydrophobicContact CD1-CD2 4.12Å; L144-W151 HydrophobicContact CD1-CE3 4Å; L144-W151 HydrophobicContact CD1-CZ3 4.27Å; L144-W151 HydrophobicContact CD2-CB 3.85Å; L144-W151 HydrophobicContact CD2-CD2 3.97Å; L144-W151 HydrophobicContact CD2-CG 3.64Å; L144-W151 HydrophobicContact CG-CD2 4.36Å; T145-W151 WeakPolarHBondContact O-CZ2 3.12Å; T145-W151 PolarHBondContact O-NE1 2.91Å; V148-W151 PolarHBondContact O-NE1 3.2Å; G149-W151 VanDerWaalsContact C-N 3.35Å; G149-W151 PolarHBondContact O-N 2.87Å; W151-E153 VanDerWaalsContact C-N 3.26Å; W151-E153 PolarHBondContact O-N 2.63Å; W151-G157 WeakPolarHBondContact CZ3-O 3.21Å; W151-G157 VanDerWaalsContact O-CA 3.23Å; W151-G157 WeakPolarHBondContact O-CA 3.44Å; W151-I160 HydrophobicContact CE3-CG2 4.31Å; W151-I160 HydrophobicContact CH2-CG2 4.46Å; W151-I160 HydrophobicContact CZ3-CB 3.97Å; W151-I160 HydrophobicContact CZ3-CG2 3.66Å; W151-E161 HydrophobicContact CH2-CB 3.68Å; W151-E161 HydrophobicContact CH2-CG 4.06Å; W151-E161 HydrophobicContact CZ3-CB 4.05Å |
| 152 | R | 84.6 | Confident | 86 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -72.2 | -19.5 | 178.2 | -58.6 | -178.4 | 67.1 | -141.8 | 1.1 | 113.5 | G147 P150 E161 E213 | G147-R152 PolarHBondContact O-NH1 2.99Å; P150-R152 PolarHBondContact O-N 2.8Å; R152-E161 WeakPolarHBondContact CD-OE1 3.23Å; R152-E161 IonicContact CZ-OE1 3.46Å; R152-E161 IonicContact CZ-OE2 3.56Å; R152-E161 VanDerWaalsContact CZ-OE2 3.31Å; R152-E161 VanDerWaalsContact NE-CD 3.3Å; R152-E161 IonicContact NE-OE1 3.47Å; R152-E161 PolarHBondContact NE-OE1 2.9Å; R152-E161 IonicContact NE-OE2 3.63Å; R152-E161 PolarHBondContact NE-OE2 3.43Å; R152-E161 IonicContact NH2-OE1 2.7Å; R152-E161 IonicContact NH2-OE2 3.96Å; R152-E161 PolarHBondContact NH2-OE2 2.69Å; R152-E213 IonicContact CZ-OE1 3.39Å; R152-E213 IonicContact NH1-OE1 3.62Å; R152-E213 PolarHBondContact NH1-OE1 3.34Å; R152-E213 IonicContact NH1-OE2 3.17Å |
| 153 | E | 73.7 | Confident | 86.1 | Confident | 86 Ų | 86 | 39.6 Ų | 39.6 | 40% | 0.402 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -91.1 | -15.2 | -177.8 | -60.1 | 167.1 | -156.9 | 0 | 0 | 111.9 | P150 W151 R216 L220 | P150-E153 WeakPolarHBondContact O-CB 3.36Å; P150-E153 PolarHBondContact O-N 3.33Å; W151-E153 VanDerWaalsContact C-N 3.26Å; W151-E153 PolarHBondContact O-N 2.63Å; E153-R216 HydrophobicContact CG-CG 4.35Å; E153-R216 WeakPolarHBondContact OE1-CD 3.39Å; E153-R216 WeakPolarHBondContact OE1-CG 3.44Å; E153-R216 IonicContact OE1-NE 3.38Å; E153-L220 HydrophobicContact CG-CD2 4.48Å |
| 154 | E | 77 | Confident | 86.2 | Confident | 75 Ų | 75 | 33.3 Ų | 33.3 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -65.2 | 157.9 | 172.5 | -62.2 | 177.7 | -169 | 0 | 0 | 110.9 | W156 G157 | E154-W156 PolarHBondContact O-N 2.77Å; E154-G157 PolarHBondContact O-N 2.8Å |
| 155 | T | 74.2 | Confident | 86.3 | Confident | 116 Ų | 116 | 37.6 Ų | 37.6 | 71% | 0.712 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -30.8 | -176.6 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 156 | W | 81.6 | Confident | 86.4 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -0.9 | -175.6 | -62.4 | 87.8 | 0 | 0 | 0 | 114.8 | F131 P132 S135 E154 E158 L159 I160 L177 V185 | F131-W156 HydrophobicContact CD1-CB 3.77Å; F131-W156 AromaticContact CD1-CD1 3.61Å; F131-W156 AromaticContact CD1-CD2 3.49Å; F131-W156 HydrophobicContact CD1-CD2 3.49Å; F131-W156 VanDerWaalsContact CD1-CD2 3.49Å; F131-W156 AromaticContact CD1-CE2 3.89Å; F131-W156 AromaticContact CD1-CE3 3.97Å; F131-W156 HydrophobicContact CD1-CE3 3.97Å; F131-W156 AromaticContact CD1-CG 3.35Å; F131-W156 HydrophobicContact CD1-CG 3.35Å; F131-W156 AromaticContact CD1-NE1 3.91Å; F131-W156 HydrophobicContact CE1-CB 3.48Å; F131-W156 VanDerWaalsContact CE1-CB 3.48Å; F131-W156 AromaticContact CE1-CD2 3.67Å; F131-W156 HydrophobicContact CE1-CD2 3.67Å; F131-W156 AromaticContact CE1-CE3 3.77Å; F131-W156 HydrophobicContact CE1-CE3 3.77Å; F131-W156 AromaticContact CE1-CG 3.52Å; F131-W156 HydrophobicContact CE1-CG 3.52Å; P132-W156 HydrophobicContact CG-CZ2 3.91Å; S135-W156 VanDerWaalsContact O-CD1 3.27Å; S135-W156 PolarHBondContact OG-NE1 3.37Å; E154-W156 PolarHBondContact O-N 2.77Å; W156-E158 VanDerWaalsContact C-N 3.31Å; W156-E158 PolarHBondContact O-N 3.43Å; W156-L159 HydrophobicContact CD2-CD1 4.2Å; W156-L159 HydrophobicContact CE3-CB 4.47Å; W156-L159 HydrophobicContact CE3-CD1 3.38Å; W156-L159 HydrophobicContact CZ3-CD1 3.78Å; W156-L159 PolarHBondContact O-N 3.45Å; W156-L159 VanDerWaalsContact O-N 3.08Å; W156-I160 HydrophobicContact CB-CD1 4.08Å; W156-I160 HydrophobicContact CB-CG1 4.41Å; W156-I160 WeakPolarHBondContact O-CG1 3.47Å; W156-I160 PolarHBondContact O-N 2.88Å; W156-L177 HydrophobicContact CE3-CD1 4.14Å; W156-L177 HydrophobicContact CH2-CD1 3.22Å; W156-L177 HydrophobicContact CH2-CG 3.95Å; W156-L177 HydrophobicContact CZ2-CD1 4.26Å; W156-L177 HydrophobicContact CZ3-CD1 3.16Å; W156-L177 HydrophobicContact CZ3-CD2 4.13Å; W156-L177 HydrophobicContact CZ3-CG 3.68Å; W156-V185 HydrophobicContact CE3-CG2 4.27Å; W156-V185 HydrophobicContact CH2-CG2 3.81Å; W156-V185 HydrophobicContact CZ2-CG2 4.46Å; W156-V185 HydrophobicContact CZ3-CG2 3.68Å |
| 157 | G | 85 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.1 | -43.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W151 E154 I160 E161 | W151-G157 WeakPolarHBondContact CZ3-O 3.21Å; W151-G157 VanDerWaalsContact O-CA 3.23Å; W151-G157 WeakPolarHBondContact O-CA 3.44Å; E154-G157 PolarHBondContact O-N 2.8Å; G157-I160 PolarHBondContact O-N 2.95Å; G157-E161 WeakPolarHBondContact O-CB 3.3Å; G157-E161 PolarHBondContact O-N 2.82Å |
| 158 | E | 83.1 | Confident | 87.1 | Confident | 59 Ų | 59 | 36.1 Ų | 36.1 | 28% | 0.276 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 178 | -178.6 | 176.1 | -167.2 | 0 | 0 | 113 | W156 E161 K162 R231 | W156-E158 VanDerWaalsContact C-N 3.31Å; W156-E158 PolarHBondContact O-N 3.43Å; E158-E161 PolarHBondContact O-N 2.8Å; E158-K162 VanDerWaalsContact CD-NZ 3.26Å; E158-K162 HydrophobicContact CG-CD 4.08Å; E158-K162 VanDerWaalsContact CG-CE 3.46Å; E158-K162 WeakPolarHBondContact O-CB 3.38Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.5Å; E158-K162 PolarHBondContact O-N 3.48Å; E158-K162 WeakPolarHBondContact OE1-CE 2.72Å; E158-K162 IonicContact OE1-NZ 3.52Å; E158-K162 PolarHBondContact OE1-NZ 2.7Å; E158-R231 WeakPolarHBondContact OE2-CD 3.34Å; E158-R231 IonicContact OE2-CZ 2.69Å; E158-R231 IonicContact OE2-NE 2.95Å; E158-R231 PolarHBondContact OE2-NE 3.09Å |
| 159 | L | 88.4 | Confident | 87.7 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 178.2 | -68.1 | 167.6 | 0 | 0 | 0 | 110.6 | F104 W156 C163 L177 | F104-L159 HydrophobicContact CB-CD2 4.49Å; F104-L159 HydrophobicContact CD1-CD2 3.54Å; F104-L159 HydrophobicContact CE1-CD2 4.14Å; F104-L159 HydrophobicContact CG-CD2 4.37Å; W156-L159 HydrophobicContact CD2-CD1 4.2Å; W156-L159 HydrophobicContact CE3-CB 4.47Å; W156-L159 HydrophobicContact CE3-CD1 3.38Å; W156-L159 HydrophobicContact CZ3-CD1 3.78Å; W156-L159 PolarHBondContact O-N 3.45Å; W156-L159 VanDerWaalsContact O-N 3.08Å; L159-C163 VanDerWaalsContact O-CB 3.23Å; L159-C163 WeakPolarHBondContact O-CB 3.47Å; L159-C163 PolarHBondContact O-N 3.4Å; L159-L177 HydrophobicContact CD1-CD1 3.83Å; L159-L177 HydrophobicContact CD1-CD2 3.86Å; L159-L177 HydrophobicContact CD1-CG 4.48Å; L159-L177 HydrophobicContact CD2-CD2 4.08Å |
| 160 | I | 91.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -49.7 | 174.6 | -66.9 | 166.8 | 0 | 0 | 0 | 109.5 | F131 P137 L144 W151 W156 G157 K162 C163 L164 L187 | F131-I160 HydrophobicContact CE1-CD1 3.98Å; F131-I160 HydrophobicContact CE1-CG1 4.18Å; F131-I160 HydrophobicContact CZ-CD1 3.69Å; F131-I160 HydrophobicContact CZ-CG1 3.86Å; P137-I160 HydrophobicContact CG-CD1 3.98Å; L144-I160 HydrophobicContact CD1-CG2 4.19Å; W151-I160 HydrophobicContact CE3-CG2 4.31Å; W151-I160 HydrophobicContact CH2-CG2 4.46Å; W151-I160 HydrophobicContact CZ3-CB 3.97Å; W151-I160 HydrophobicContact CZ3-CG2 3.66Å; W156-I160 HydrophobicContact CB-CD1 4.08Å; W156-I160 HydrophobicContact CB-CG1 4.41Å; W156-I160 WeakPolarHBondContact O-CG1 3.47Å; W156-I160 PolarHBondContact O-N 2.88Å; G157-I160 PolarHBondContact O-N 2.95Å; I160-K162 PolarHBondContact O-N 2.83Å; I160-C163 WeakPolarHBondContact O-CB 3.14Å; I160-C163 PolarHBondContact O-N 3.03Å; I160-L164 HydrophobicContact CG2-CD1 3.79Å; I160-L164 HydrophobicContact CG2-CG 4.26Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.38Å; I160-L164 PolarHBondContact O-N 3.16Å; I160-L187 HydrophobicContact CG2-CD1 4.36Å; I160-L187 HydrophobicContact CG2-CD2 4.26Å |
| 161 | E | 92.2 | Very high | 89.4 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.2 | -51.5 | 179.9 | -169.9 | 162.9 | -112.1 | 0 | 0 | 111.6 | M146 G147 W151 R152 G157 E158 C163 L164 E165 | M146-E161 HydrophobicContact CE-CG 3.71Å; M146-E161 WeakPolarHBondContact CE-O 3.36Å; G147-E161 VanDerWaalsContact CA-OE1 3.24Å; G147-E161 WeakPolarHBondContact CA-OE1 3.42Å; G147-E161 PolarHBondContact N-OE1 2.81Å; W151-E161 HydrophobicContact CH2-CB 3.68Å; W151-E161 HydrophobicContact CH2-CG 4.06Å; W151-E161 HydrophobicContact CZ3-CB 4.05Å; R152-E161 WeakPolarHBondContact CD-OE1 3.23Å; R152-E161 IonicContact CZ-OE1 3.46Å; R152-E161 IonicContact CZ-OE2 3.56Å; R152-E161 VanDerWaalsContact CZ-OE2 3.31Å; R152-E161 VanDerWaalsContact NE-CD 3.3Å; R152-E161 IonicContact NE-OE1 3.47Å; R152-E161 PolarHBondContact NE-OE1 2.9Å; R152-E161 IonicContact NE-OE2 3.63Å; R152-E161 PolarHBondContact NE-OE2 3.43Å; R152-E161 IonicContact NH2-OE1 2.7Å; R152-E161 IonicContact NH2-OE2 3.96Å; R152-E161 PolarHBondContact NH2-OE2 2.69Å; G157-E161 WeakPolarHBondContact O-CB 3.3Å; G157-E161 PolarHBondContact O-N 2.82Å; E158-E161 PolarHBondContact O-N 2.8Å; E161-C163 VanDerWaalsContact C-N 3.29Å; E161-C163 PolarHBondContact O-N 2.97Å; E161-L164 PolarHBondContact O-N 2.9Å; E161-E165 WeakPolarHBondContact O-CG 3.43Å; E161-E165 PolarHBondContact O-N 2.88Å |
| 162 | K | 92.7 | Very high | 90 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 18% | 0.178 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -38 | 176.7 | -72.6 | 172.4 | -175.6 | 168.9 | 0 | 112.8 | D101 F104 E158 I160 | D101-K162 WeakPolarHBondContact OD2-CE 3.39Å; D101-K162 IonicContact OD2-NZ 2.81Å; D101-K162 PolarHBondContact OD2-NZ 3.46Å; F104-K162 HydrophobicContact CE1-CB 3.9Å; F104-K162 HydrophobicContact CZ-CB 4.2Å; E158-K162 VanDerWaalsContact CD-NZ 3.26Å; E158-K162 HydrophobicContact CG-CD 4.08Å; E158-K162 VanDerWaalsContact CG-CE 3.46Å; E158-K162 WeakPolarHBondContact O-CB 3.38Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.5Å; E158-K162 PolarHBondContact O-N 3.48Å; E158-K162 WeakPolarHBondContact OE1-CE 2.72Å; E158-K162 IonicContact OE1-NZ 3.52Å; E158-K162 PolarHBondContact OE1-NZ 2.7Å; I160-K162 PolarHBondContact O-N 2.83Å |
| 163 | C | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -51.2 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | F104 L159 I160 E161 E165 S166 M167 L175 L187 | F104-C163 HydrophobicContact CE2-CB 4.15Å; F104-C163 HydrophobicContact CZ-CB 3.9Å; L159-C163 VanDerWaalsContact O-CB 3.23Å; L159-C163 WeakPolarHBondContact O-CB 3.47Å; L159-C163 PolarHBondContact O-N 3.4Å; I160-C163 WeakPolarHBondContact O-CB 3.14Å; I160-C163 PolarHBondContact O-N 3.03Å; E161-C163 VanDerWaalsContact C-N 3.29Å; E161-C163 PolarHBondContact O-N 2.97Å; C163-E165 VanDerWaalsContact C-N 3.32Å; C163-E165 PolarHBondContact O-N 3.39Å; C163-S166 WeakPolarHBondContact O-CA 3.33Å; C163-S166 WeakPolarHBondContact O-CB 3.47Å; C163-S166 PolarHBondContact O-N 3.39Å; C163-S166 PolarHBondContact O-OG 3.41Å; C163-M167 WeakPolarHBondContact O-CG 3.49Å; C163-M167 PolarHBondContact O-N 2.93Å; C163-L175 HydrophobicContact CB-CD1 4.22Å; C163-L175 HydrophobicContact CB-CD2 4.25Å; C163-L187 HydrophobicContact CB-CD2 3.89Å |
| 164 | L | 96.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -40.4 | -179.3 | -68.3 | 173.9 | 0 | 0 | 0 | 112.3 | P118 C124 V126 M146 I160 E161 S166 M167 L187 L189 | P118-L164 HydrophobicContact CB-CB 4.4Å; P118-L164 VanDerWaalsContact CD-O 3.29Å; P118-L164 WeakPolarHBondContact CD-O 3.49Å; P118-L164 HydrophobicContact CG-CB 4.41Å; P118-L164 WeakPolarHBondContact CG-O 3.28Å; C124-L164 HydrophobicContact CB-CD1 4.46Å; V126-L164 HydrophobicContact CG1-CD1 3.97Å; V126-L164 HydrophobicContact CG1-CD2 3.61Å; V126-L164 HydrophobicContact CG1-CG 4.45Å; M146-L164 HydrophobicContact CE-CB 3.98Å; M146-L164 HydrophobicContact SD-CB 3.8Å; M146-L164 HydrophobicContact SD-CD1 3.86Å; I160-L164 HydrophobicContact CG2-CD1 3.79Å; I160-L164 HydrophobicContact CG2-CG 4.26Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.38Å; I160-L164 PolarHBondContact O-N 3.16Å; E161-L164 PolarHBondContact O-N 2.9Å; L164-S166 PolarHBondContact O-N 3.45Å; L164-M167 HydrophobicContact CD2-SD 4.02Å; L164-M167 PolarHBondContact O-N 3.22Å; L164-L187 HydrophobicContact CD2-CD2 3.77Å; L164-L187 HydrophobicContact CD2-CG 4.42Å; L164-L187 HydrophobicContact CG-CD2 3.96Å; L164-L189 HydrophobicContact CD2-CB 4.32Å; L164-L189 HydrophobicContact CD2-CD1 4.18Å |
| 165 | E | 94.8 | Very high | 92.2 | Very high | 101 Ų | 101 | 26.4 Ų | 26.4 | 47% | 0.472 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.8 | 175 | -70.6 | 178.4 | 174.9 | 0 | 0 | 113.5 | K117 M146 E161 C163 | K117-E165 WeakPolarHBondContact CD-O 3.4Å; M146-E165 HydrophobicContact CE-CB 4.49Å; M146-E165 HydrophobicContact CE-CG 3.39Å; E161-E165 WeakPolarHBondContact O-CG 3.43Å; E161-E165 PolarHBondContact O-N 2.88Å; C163-E165 VanDerWaalsContact C-N 3.32Å; C163-E165 PolarHBondContact O-N 3.39Å |
| 166 | S | 95.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -14.1 | 179 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | K106 K117 C163 L164 | K106-S166 WeakPolarHBondContact CE-OG 3.45Å; K106-S166 PolarHBondContact NZ-O 2.88Å; K106-S166 PolarHBondContact NZ-OG 2.93Å; K117-S166 PolarHBondContact NZ-O 3.5Å; C163-S166 WeakPolarHBondContact O-CA 3.33Å; C163-S166 WeakPolarHBondContact O-CB 3.47Å; C163-S166 PolarHBondContact O-N 3.39Å; C163-S166 PolarHBondContact O-OG 3.41Å; L164-S166 PolarHBondContact O-N 3.45Å |
| 167 | M | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -89.4 | 145.3 | -171.4 | -71.1 | 175.6 | 79.9 | 0 | 0 | 112.8 | K106 K117 P118 C163 L164 E171 A173 L187 L189 | K106-M167 HydrophobicContact CD-CG 4.43Å; K117-M167 WeakPolarHBondContact CG-O 3.47Å; P118-M167 VanDerWaalsContact CD-O 3.31Å; P118-M167 WeakPolarHBondContact CD-O 3.39Å; C163-M167 WeakPolarHBondContact O-CG 3.49Å; C163-M167 PolarHBondContact O-N 2.93Å; L164-M167 HydrophobicContact CD2-SD 4.02Å; L164-M167 PolarHBondContact O-N 3.22Å; M167-E171 WeakPolarHBondContact CA-OE2 3.24Å; M167-E171 HydrophobicContact CB-CB 4.31Å; M167-E171 HydrophobicContact CE-CB 3.79Å; M167-E171 HydrophobicContact CE-CG 3.98Å; M167-E171 WeakPolarHBondContact CE-O 3.33Å; M167-E171 HydrophobicContact CG-CG 4.4Å; M167-E171 WeakPolarHBondContact CG-OE1 3.28Å; M167-A173 HydrophobicContact CE-CB 4.34Å; M167-L187 HydrophobicContact SD-CD2 3.94Å; M167-L187 HydrophobicContact SD-CG 4.39Å; M167-L189 HydrophobicContact CB-CB 4.48Å; M167-L189 HydrophobicContact CB-CD2 3.83Å; M167-L189 HydrophobicContact CE-CB 3.76Å; M167-L189 HydrophobicContact SD-CB 4.33Å |
| 168 | C | 96.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 13% | 0.128 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -91.1 | 162.2 | 165 | -68.7 | 0 | 0 | 0 | 0 | 111 | G114 G170 E171 | G114-C168 PolarHBondContact O-SG 3.13Å; C168-G170 PolarHBondContact O-N 3.35Å; C168-E171 PolarHBondContact N-OE2 2.96Å; C168-E171 WeakPolarHBondContact O-CB 3.45Å; C168-E171 PolarHBondContact O-N 3.36Å; C168-E171 VanDerWaalsContact O-N 3.12Å |
| 169 | Q | 98 | Very high | 92.7 | Very high | 64 Ų | 64 | 32.8 Ų | 32.8 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | B | Isolated β-bridge | trans | -58.8 | 138.2 | 176.7 | -175.6 | 170.9 | -61 | 0 | 0 | 111.2 | G112 H113 E171 A190 F192 | G112-Q169 CarbonylContact C-O 3.44Å; G112-Q169 WeakPolarHBondContact CA-O 3.5Å; H113-Q169 PolarHBondContact CE1-O 2.75Å; H113-Q169 PolarHBondContact N-O 2.81Å; H113-Q169 PolarHBondContact ND1-O 3.2Å; H113-Q169 VanDerWaalsContact ND1-O 3.17Å; H113-Q169 PolarHBondContact NE2-NE2 3.4Å; H113-Q169 VanDerWaalsContact NE2-NE2 3.14Å; Q169-E171 PolarHBondContact O-N 3.34Å; Q169-A190 WeakPolarHBondContact CG-O 3.41Å; Q169-F192 HydrophobicContact CB-CD1 4.34Å; Q169-F192 HydrophobicContact CB-CE1 3.98Å |
| 170 | G | 97.6 | Very high | 92.2 | Very high | 27 Ų | 27 | 34.7 Ų | 34.7 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -1.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | C168 L189 | C168-G170 PolarHBondContact O-N 3.35Å; G170-L189 WeakPolarHBondContact CA-O 3.42Å; G170-L189 PolarHBondContact N-O 3.3Å |
| 171 | E | 98 | Very high | 91.3 | Very high | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | trans | -70.8 | 140.6 | 178.8 | -169.6 | 178.2 | 137.9 | 0 | 0 | 111.4 | K106 I108 I110 M167 C168 Q169 T188 L189 | K106-E171 WeakPolarHBondContact CE-OE1 3.43Å; K106-E171 IonicContact NZ-OE1 2.67Å; K106-E171 PolarHBondContact NZ-OE1 2.82Å; K106-E171 IonicContact NZ-OE2 3.93Å; I108-E171 HydrophobicContact CG2-CG 4.02Å; I110-E171 WeakPolarHBondContact O-CA 3.33Å; I110-E171 WeakPolarHBondContact O-CG 3.48Å; M167-E171 WeakPolarHBondContact CA-OE2 3.24Å; M167-E171 HydrophobicContact CB-CB 4.31Å; M167-E171 HydrophobicContact CE-CB 3.79Å; M167-E171 HydrophobicContact CE-CG 3.98Å; M167-E171 WeakPolarHBondContact CE-O 3.33Å; M167-E171 HydrophobicContact CG-CG 4.4Å; M167-E171 WeakPolarHBondContact CG-OE1 3.28Å; C168-E171 PolarHBondContact N-OE2 2.96Å; C168-E171 WeakPolarHBondContact O-CB 3.45Å; C168-E171 PolarHBondContact O-N 3.36Å; C168-E171 VanDerWaalsContact O-N 3.12Å; Q169-E171 PolarHBondContact O-N 3.34Å; E171-T188 WeakPolarHBondContact O-CA 3.32Å; E171-L189 PolarHBondContact O-N 2.87Å | ||
| 172 | E | 96.7 | Very high | 90.4 | Very high | 30 Ų | 30 | 42 Ų | 42 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.2 | 168.6 | -173.5 | 179.1 | 146.3 | 0 | 0 | 108.7 | V109 I110 R186 L187 T188 | V109-E172 WeakPolarHBondContact CA-O 3.35Å; V109-E172 HydrophobicContact CB-CG 4.39Å; V109-E172 PolarHBondContact N-O 3.49Å; I110-E172 HydrophobicContact CB-CB 3.81Å; I110-E172 HydrophobicContact CD1-CB 4.19Å; I110-E172 VanDerWaalsContact CD1-OE2 3.28Å; I110-E172 WeakPolarHBondContact CD1-OE2 3.46Å; I110-E172 HydrophobicContact CG1-CB 3.98Å; I110-E172 PolarHBondContact N-O 2.62Å; I110-E172 PolarHBondContact O-N 3.4Å; E172-R186 HydrophobicContact CG-CG 4.13Å; E172-R186 WeakPolarHBondContact OE1-CD 3.34Å; E172-R186 IonicContact OE1-CZ 3.54Å; E172-R186 VanDerWaalsContact OE1-CZ 3.23Å; E172-R186 IonicContact OE1-NE 3.05Å; E172-R186 PolarHBondContact OE1-NE 2.92Å; E172-R186 IonicContact OE1-NH1 2.81Å; E172-R186 PolarHBondContact OE1-NH1 3.26Å; E172-L187 WeakPolarHBondContact CA-O 3.45Å; E172-T188 HydrophobicContact CB-CG2 4.31Å |
| 173 | A | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 146.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K106 K107 M167 R186 L187 | K106-A173 HydrophobicContact CD-CB 3.77Å; K106-A173 HydrophobicContact CG-CB 3.56Å; K107-A173 CarbonylContact O-C 3.57Å; K107-A173 VanDerWaalsContact O-CA 3.24Å; K107-A173 WeakPolarHBondContact O-CA 3.24Å; M167-A173 HydrophobicContact CE-CB 4.34Å; A173-R186 CarbonylContact O-C 3.37Å; A173-R186 WeakPolarHBondContact O-CA 3.36Å; A173-L187 PolarHBondContact N-O 2.73Å; A173-L187 PolarHBondContact O-N 3.11Å |
| 174 | E | 93.9 | Very high | 89 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.9 | 169.8 | -76.2 | 174.1 | 170.3 | 0 | 0 | 109.8 | K107 V109 P184 V185 R186 | K107-E174 HydrophobicContact CB-CB 4.34Å; K107-E174 PolarHBondContact N-O 3.47Å; K107-E174 IonicContact NZ-OE2 3.42Å; K107-E174 PolarHBondContact O-N 2.92Å; V109-E174 HydrophobicContact CG2-CB 4.29Å; V109-E174 HydrophobicContact CG2-CG 3.71Å; E174-P184 HydrophobicContact CB-CB 4.15Å; E174-P184 HydrophobicContact CG-CB 4.17Å; E174-P184 HydrophobicContact CG-CG 4.4Å; E174-V185 CarbonylContact C-O 3.57Å; E174-V185 WeakPolarHBondContact CA-O 3.23Å; E174-R186 IonicContact OE1-CZ 2.99Å; E174-R186 IonicContact OE1-NE 3.23Å; E174-R186 IonicContact OE1-NH2 2.62Å; E174-R186 PolarHBondContact OE1-NH2 2.76Å |
| 175 | L | 92.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.6 | 177.7 | -50.6 | -170.6 | 0 | 0 | 0 | 109.9 | F104 K106 C163 V185 | F104-L175 HydrophobicContact CD2-CB 4.43Å; F104-L175 HydrophobicContact CD2-CD2 3.71Å; F104-L175 HydrophobicContact CD2-CG 4.45Å; F104-L175 HydrophobicContact CE2-CD2 3.64Å; K106-L175 HydrophobicContact CB-CD2 4.19Å; K106-L175 HydrophobicContact CG-CD2 3.92Å; C163-L175 HydrophobicContact CB-CD1 4.22Å; C163-L175 HydrophobicContact CB-CD2 4.25Å; L175-V185 HydrophobicContact CB-CB 4.24Å; L175-V185 HydrophobicContact CD1-CG1 4.3Å; L175-V185 HydrophobicContact CG-CG1 4.48Å; L175-V185 PolarHBondContact N-O 2.85Å |
| 176 | Q | 88 | Confident | 88.4 | Confident | 97 Ų | 97 | 46.5 Ų | 46.5 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 110.3 | 173.4 | -61.8 | 179.9 | -4.6 | 0 | 0 | 108.4 | F104 V105 | F104-Q176 WeakPolarHBondContact CA-O 3.5Å; V105-Q176 HydrophobicContact CB-CB 4.36Å; V105-Q176 PolarHBondContact N-O 2.72Å; V105-Q176 PolarHBondContact O-N 2.8Å |
| 177 | L | 85.9 | Confident | 88.3 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | trans | -90.1 | 141.9 | 175.7 | -61.2 | -159.7 | 0 | 0 | 0 | 111.3 | F104 W156 L159 G179 H180 | F104-L177 HydrophobicContact CB-CD2 3.47Å; F104-L177 VanDerWaalsContact CB-CD2 3.47Å; F104-L177 HydrophobicContact CG-CD2 4.48Å; W156-L177 HydrophobicContact CE3-CD1 4.14Å; W156-L177 HydrophobicContact CH2-CD1 3.22Å; W156-L177 HydrophobicContact CH2-CG 3.95Å; W156-L177 HydrophobicContact CZ2-CD1 4.26Å; W156-L177 HydrophobicContact CZ3-CD1 3.16Å; W156-L177 HydrophobicContact CZ3-CD2 4.13Å; W156-L177 HydrophobicContact CZ3-CG 3.68Å; L159-L177 HydrophobicContact CD1-CD1 3.83Å; L159-L177 HydrophobicContact CD1-CD2 3.86Å; L159-L177 HydrophobicContact CD1-CG 4.48Å; L159-L177 HydrophobicContact CD2-CD2 4.08Å; L177-G179 PolarHBondContact O-N 2.67Å; L177-H180 HydrophobicContact CB-CB 3.73Å; L177-H180 PolarHBondContact O-N 2.73Å | ||
| 178 | P | 81.4 | Confident | 88.3 | Confident | 98 Ų | 98 | 47 Ų | 47 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 128.2 | 169.2 | -23.2 | 33.2 | 0 | 0 | 0 | 111.5 | S103 H180 | S103-P178 WeakPolarHBondContact O-CD 3.49Å; P178-H180 PolarHBondContact O-N 3.05Å |
| 179 | G | 80 | Confident | 88.3 | Confident | 88 Ų | 88 | 46.1 Ų | 46.1 | 91% | 0.907 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -2.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L177 S181 | L177-G179 PolarHBondContact O-N 2.67Å; G179-S181 PolarHBondContact O-N 2.91Å |
| 180 | H | 76.4 | Confident | 88.3 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 30% | 0.301 | 29% | 0.29 | S | S | . | . | trans | -83.3 | 116.1 | 176.5 | -174.4 | -98 | 0 | 0 | 0 | 110.9 | L177 P178 G182 P183 | L177-H180 HydrophobicContact CB-CB 3.73Å; L177-H180 PolarHBondContact O-N 2.73Å; P178-H180 PolarHBondContact O-N 3.05Å; H180-G182 WeakPolarHBondContact CE1-CA 3.47Å; H180-G182 PolarHBondContact ND1-N 3.19Å; H180-P183 PolarHBondContact CE1-O 3.48Å | ||
| 181 | S | 72.3 | Confident | 88.3 | Confident | 133 Ų | 133 | 45.7 Ų | 45.7 | 93% | 0.93 | 29% | 0.292 | S | S | * | . | trans | -95.5 | -0.7 | 177.5 | 57.7 | 0 | 0 | 0 | 0 | 114 | G179 | G179-S181 PolarHBondContact O-N 2.91Š| ||
| 182 | G | 74.2 | Confident | 88.3 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -76.8 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H180 | H180-G182 WeakPolarHBondContact CE1-CA 3.47Å; H180-G182 PolarHBondContact ND1-N 3.19Å |
| 183 | P | 77.9 | Confident | 88.3 | Confident | 90 Ų | 90 | 49.1 Ų | 49.1 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 149.6 | 174 | 27 | -34.7 | 0 | 0 | 0 | 110.6 | H180 V185 | H180-P183 PolarHBondContact CE1-O 3.48Å; P183-V185 PolarHBondContact O-N 2.95Å |
| 184 | P | 79.9 | Confident | 88.2 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 136.5 | 177.9 | 26.7 | -33.3 | 0 | 0 | 0 | 109.8 | E174 R186 | E174-P184 HydrophobicContact CB-CB 4.15Å; E174-P184 HydrophobicContact CG-CB 4.17Å; E174-P184 HydrophobicContact CG-CG 4.4Å; P184-R186 PolarHBondContact O-N 2.8Å |
| 185 | V | 87.2 | Confident | 87.9 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 127.2 | 169.3 | 169.6 | 0 | 0 | 0 | 0 | 107.5 | L129 F131 W156 E174 L175 P183 | L129-V185 CarbonylContact O-C 3.58Å; L129-V185 WeakPolarHBondContact O-CA 3.4Å; F131-V185 HydrophobicContact CD1-CG1 3.98Å; F131-V185 HydrophobicContact CD1-CG2 4.08Å; F131-V185 HydrophobicContact CD2-CG1 4.29Å; F131-V185 HydrophobicContact CE1-CB 4.44Å; F131-V185 HydrophobicContact CE1-CG1 3.38Å; F131-V185 HydrophobicContact CE1-CG2 4.21Å; F131-V185 HydrophobicContact CE2-CG1 3.66Å; F131-V185 HydrophobicContact CG-CG1 4.42Å; F131-V185 HydrophobicContact CZ-CG1 3.21Å; W156-V185 HydrophobicContact CE3-CG2 4.27Å; W156-V185 HydrophobicContact CH2-CG2 3.81Å; W156-V185 HydrophobicContact CZ2-CG2 4.46Å; W156-V185 HydrophobicContact CZ3-CG2 3.68Å; E174-V185 CarbonylContact C-O 3.57Å; E174-V185 WeakPolarHBondContact CA-O 3.23Å; L175-V185 HydrophobicContact CB-CB 4.24Å; L175-V185 HydrophobicContact CD1-CG1 4.3Å; L175-V185 HydrophobicContact CG-CG1 4.48Å; L175-V185 PolarHBondContact N-O 2.85Å; P183-V185 PolarHBondContact O-N 2.95Å |
| 186 | R | 91.4 | Very high | 87.8 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.6 | -179.6 | -176.8 | 175.8 | -78.1 | -149.8 | 7 | 109.9 | A128 L129 E172 A173 E174 P184 | A128-R186 WeakPolarHBondContact CA-O 3.49Å; L129-R186 HydrophobicContact CB-CB 4.43Å; L129-R186 PolarHBondContact N-O 3.14Å; L129-R186 PolarHBondContact O-N 2.93Å; E172-R186 HydrophobicContact CG-CG 4.13Å; E172-R186 WeakPolarHBondContact OE1-CD 3.34Å; E172-R186 IonicContact OE1-CZ 3.54Å; E172-R186 VanDerWaalsContact OE1-CZ 3.23Å; E172-R186 IonicContact OE1-NE 3.05Å; E172-R186 PolarHBondContact OE1-NE 2.92Å; E172-R186 IonicContact OE1-NH1 2.81Å; E172-R186 PolarHBondContact OE1-NH1 3.26Å; A173-R186 CarbonylContact O-C 3.37Å; A173-R186 WeakPolarHBondContact O-CA 3.36Å; E174-R186 IonicContact OE1-CZ 2.99Å; E174-R186 IonicContact OE1-NE 3.23Å; E174-R186 IonicContact OE1-NH2 2.62Å; E174-R186 PolarHBondContact OE1-NH2 2.76Å; P184-R186 PolarHBondContact O-N 2.8Å |
| 187 | L | 94.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.3 | 179.3 | -164.1 | 70.3 | 0 | 0 | 0 | 109.5 | L127 A128 I160 C163 L164 M167 E172 A173 | L127-L187 CarbonylContact O-C 3.59Å; L127-L187 WeakPolarHBondContact O-CA 3.28Å; A128-L187 HydrophobicContact CB-CD1 3.69Å; I160-L187 HydrophobicContact CG2-CD1 4.36Å; I160-L187 HydrophobicContact CG2-CD2 4.26Å; C163-L187 HydrophobicContact CB-CD2 3.89Å; L164-L187 HydrophobicContact CD2-CD2 3.77Å; L164-L187 HydrophobicContact CD2-CG 4.42Å; L164-L187 HydrophobicContact CG-CD2 3.96Å; M167-L187 HydrophobicContact SD-CD2 3.94Å; M167-L187 HydrophobicContact SD-CG 4.39Å; E172-L187 WeakPolarHBondContact CA-O 3.45Å; A173-L187 PolarHBondContact N-O 2.73Å; A173-L187 PolarHBondContact O-N 3.11Å |
| 188 | T | 96.6 | Very high | 87.7 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.4 | 174.5 | -45.9 | 0 | 0 | 0 | 0 | 109.1 | V126 L127 W141 E171 E172 | V126-T188 CarbonylContact C-O 3.6Å; V126-T188 WeakPolarHBondContact CA-O 3.04Å; L127-T188 PolarHBondContact N-O 2.8Å; L127-T188 PolarHBondContact O-N 3.3Å; W141-T188 HydrophobicContact CH2-CG2 3.92Å; E171-T188 WeakPolarHBondContact O-CA 3.32Å; E172-T188 HydrophobicContact CB-CG2 4.31Å |
| 189 | L | 97.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 101.4 | 173.4 | 175.7 | 57.3 | 0 | 0 | 0 | 108.9 | P118 C124 V126 L164 M167 G170 E171 S191 F192 | P118-L189 HydrophobicContact CG-CD1 4.47Å; P118-L189 HydrophobicContact CG-CD2 3.57Å; C124-L189 HydrophobicContact CB-CD1 3.91Å; V126-L189 HydrophobicContact CG1-CD1 4.09Å; L164-L189 HydrophobicContact CD2-CB 4.32Å; L164-L189 HydrophobicContact CD2-CD1 4.18Å; M167-L189 HydrophobicContact CB-CB 4.48Å; M167-L189 HydrophobicContact CB-CD2 3.83Å; M167-L189 HydrophobicContact CE-CB 3.76Å; M167-L189 HydrophobicContact SD-CB 4.33Å; G170-L189 WeakPolarHBondContact CA-O 3.42Å; G170-L189 PolarHBondContact N-O 3.3Å; E171-L189 PolarHBondContact O-N 2.87Å; L189-S191 WeakPolarHBondContact CD1-O 3.44Å; L189-F192 HydrophobicContact CD1-CB 4.37Å; L189-F192 HydrophobicContact CD1-CD1 4.41Å; L189-F192 HydrophobicContact CD2-CD1 3.96Å; L189-F192 HydrophobicContact CD2-CE1 4.4Å; L189-F192 HydrophobicContact CG-CD1 4.39Å |
| 190 | A | 97.8 | Very high | 88.3 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 28% | 0.281 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -46.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R125 W141 Q169 | R125-A190 HydrophobicContact CB-CB 4.42Å; R125-A190 HydrophobicContact CG-CB 4.37Å; R125-A190 PolarHBondContact O-N 2.88Å; W141-A190 HydrophobicContact CE3-CB 4.17Å; W141-A190 HydrophobicContact CH2-CB 3.52Å; W141-A190 HydrophobicContact CZ3-CB 3.3Å; Q169-A190 WeakPolarHBondContact CG-O 3.41Å |
| 191 | S | 97.5 | Very high | 89 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 160.1 | -176.4 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | C124 R125 L189 | C124-S191 WeakPolarHBondContact CA-O 3.14Å; R125-S191 PolarHBondContact N-O 3.24Å; L189-S191 WeakPolarHBondContact CD1-O 3.44Å |
| 192 | F | 98 | Very high | 89.9 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 156.8 | 168.1 | 65.2 | -80 | 0 | 0 | 0 | 112.1 | D116 K117 P118 C123 C124 Q169 L189 | D116-F192 HydrophobicContact CB-CE2 4.35Å; D116-F192 HydrophobicContact CB-CZ 3.86Å; D116-F192 WeakPolarHBondContact O-CZ 3.43Å; K117-F192 VanDerWaalsContact C-CE2 3.47Å; P118-F192 HydrophobicContact CB-CD2 4.49Å; P118-F192 HydrophobicContact CG-CB 4.28Å; P118-F192 HydrophobicContact CG-CD1 3.97Å; P118-F192 HydrophobicContact CG-CD2 4.13Å; P118-F192 HydrophobicContact CG-CE1 4.37Å; P118-F192 HydrophobicContact CG-CG 3.86Å; C123-F192 CarbonylContact O-C 3.56Å; C123-F192 WeakPolarHBondContact O-CA 3.4Å; C123-F192 WeakPolarHBondContact O-CB 3.39Å; C124-F192 HydrophobicContact CB-CB 4.26Å; Q169-F192 HydrophobicContact CB-CD1 4.34Å; Q169-F192 HydrophobicContact CB-CE1 3.98Å; L189-F192 HydrophobicContact CD1-CB 4.37Å; L189-F192 HydrophobicContact CD1-CD1 4.41Å; L189-F192 HydrophobicContact CD2-CD1 3.96Å; L189-F192 HydrophobicContact CD2-CE1 4.4Å; L189-F192 HydrophobicContact CG-CD1 4.39Å |
| 193 | T | 96.5 | Very high | 90.7 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | trans | -87.5 | 151.8 | 170.3 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | S122 C123 G195 | S122-T193 VanDerWaalsContact CA-O 3.3Å; S122-T193 WeakPolarHBondContact CA-O 3.35Å; S122-T193 WeakPolarHBondContact CB-O 3.21Å; S122-T193 PolarHBondContact OG-O 3.48Å; C123-T193 HydrophobicContact CB-CG2 4.28Å; C123-T193 WeakPolarHBondContact CB-OG1 3.48Å; C123-T193 PolarHBondContact N-OG1 2.89Å; C123-T193 PolarHBondContact O-N 2.98Å; T193-G195 PolarHBondContact O-N 3.48Å; T193-G195 VanDerWaalsContact O-N 3.16Å | ||
| 194 | Q | 92.5 | Very high | 91.4 | Very high | 161 Ų | 161 | 61.3 Ų | 61.3 | 75% | 0.752 | 31% | 0.313 | S | S | * | . | trans | -63.4 | 119.4 | 177.6 | -172.8 | 172.9 | 12.7 | 0 | 0 | 110.5 | ||||
| 195 | G | 89.3 | Confident | 91.9 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | trans | -87.1 | -177.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | K119 L120 S122 T193 | K119-G195 WeakPolarHBondContact CD-O 3.42Å; L120-G195 WeakPolarHBondContact O-CA 3.45Å; S122-G195 WeakPolarHBondContact OG-CA 3.5Å; S122-G195 PolarHBondContact OG-N 2.93Å; T193-G195 PolarHBondContact O-N 3.48Å; T193-G195 VanDerWaalsContact O-N 3.16Å | ||
| 196 | R | 89.9 | Confident | 92.2 | Very high | 110 Ų | 110 | 62 Ų | 62 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | trans | -114.6 | 136.5 | -179.3 | -68 | -174.3 | -70.9 | 163.2 | -2.2 | 110.8 | L120 E200 L201 E205 | L120-R196 PolarHBondContact O-N 3.21Å; R196-E200 HydrophobicContact CB-CB 4.22Å; R196-L201 HydrophobicContact CB-CD2 4.02Å; R196-L201 VanDerWaalsContact CZ-CD2 3.5Å; R196-E205 IonicContact CZ-OE1 3.85Å; R196-E205 IonicContact CZ-OE2 2.67Å; R196-E205 IonicContact NH1-OE1 3.75Å; R196-E205 PolarHBondContact NH1-OE1 2.99Å; R196-E205 IonicContact NH1-OE2 2.73Å; R196-E205 PolarHBondContact NH1-OE2 3Å; R196-E205 IonicContact NH2-OE1 3.83Å; R196-E205 PolarHBondContact NH2-OE1 3.26Å; R196-E205 IonicContact NH2-OE2 3.31Å | ||
| 197 | D | 87.3 | Confident | 92.3 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | trans | -71 | 158.5 | 172.5 | -72.3 | -55.8 | 0 | 0 | 0 | 111.1 | K119 W199 E200 | K119-D197 WeakPolarHBondContact CD-OD1 3.43Å; K119-D197 VanDerWaalsContact NZ-CG 3.33Å; K119-D197 IonicContact NZ-OD1 2.89Å; K119-D197 IonicContact NZ-OD2 3.43Å; K119-D197 PolarHBondContact NZ-OD2 3.31Å; D197-W199 HydrophobicContact CB-CD2 3.7Å; D197-W199 HydrophobicContact CB-CE3 3.99Å; D197-W199 HydrophobicContact CB-CG 4.38Å; D197-W199 HydrophobicContact CB-CH2 3.62Å; D197-W199 HydrophobicContact CB-CZ2 3.3Å; D197-W199 HydrophobicContact CB-CZ3 3.95Å; D197-W199 VanDerWaalsContact CG-CH2 3.46Å; D197-W199 PolarHBondContact O-N 3.07Å; D197-W199 VanDerWaalsContact O-N 3.13Å; D197-W199 VanDerWaalsContact OD2-CZ2 3.23Å; D197-W199 WeakPolarHBondContact OD2-CZ2 3.34Å; D197-E200 HydrophobicContact CB-CG 4.29Å; D197-E200 WeakPolarHBondContact CB-OE1 3.42Å; D197-E200 PolarHBondContact N-OE1 3.45Å; D197-E200 WeakPolarHBondContact O-CB 3.28Å; D197-E200 PolarHBondContact O-N 3.25Å | ||
| 198 | S | 84 | Confident | 92.2 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -57.4 | -32.2 | -179 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | E200 L201 K206 | S198-E200 VanDerWaalsContact C-N 3.34Å; S198-L201 PolarHBondContact O-N 2.91Å; S198-K206 WeakPolarHBondContact O-CE 3.49Å; S198-K206 PolarHBondContact O-NZ 2.67Å |
| 199 | W | 85.4 | Confident | 91.9 | Very high | 197 Ų | 197 | 63.4 Ų | 63.4 | 75% | 0.746 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -78.3 | -14.8 | 177.6 | 57.6 | 78.6 | 0 | 0 | 0 | 114.1 | D197 L201 | D197-W199 HydrophobicContact CB-CD2 3.7Å; D197-W199 HydrophobicContact CB-CE3 3.99Å; D197-W199 HydrophobicContact CB-CG 4.38Å; D197-W199 HydrophobicContact CB-CH2 3.62Å; D197-W199 HydrophobicContact CB-CZ2 3.3Å; D197-W199 HydrophobicContact CB-CZ3 3.95Å; D197-W199 VanDerWaalsContact CG-CH2 3.46Å; D197-W199 PolarHBondContact O-N 3.07Å; D197-W199 VanDerWaalsContact O-N 3.13Å; D197-W199 VanDerWaalsContact OD2-CZ2 3.23Å; D197-W199 WeakPolarHBondContact OD2-CZ2 3.34Å; W199-L201 VanDerWaalsContact C-N 3.31Å |
| 200 | E | 88.9 | Confident | 91.7 | Very high | 85 Ų | 85 | 63.4 Ų | 63.4 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -83.5 | -11.6 | 173.5 | -61.3 | 176.8 | -111.1 | 0 | 0 | 112.3 | R196 D197 S198 | R196-E200 HydrophobicContact CB-CB 4.22Å; D197-E200 HydrophobicContact CB-CG 4.29Å; D197-E200 WeakPolarHBondContact CB-OE1 3.42Å; D197-E200 PolarHBondContact N-OE1 3.45Å; D197-E200 WeakPolarHBondContact O-CB 3.28Å; D197-E200 PolarHBondContact O-N 3.25Å; S198-E200 VanDerWaalsContact C-N 3.34Å |
| 201 | L | 89.9 | Confident | 91.5 | Very high | 11 Ų | 11 | 67.3 Ų | 67.3 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -86.5 | 131.6 | 179.9 | -62.8 | 177.9 | 0 | 0 | 0 | 111.1 | L120 R196 S198 W199 K206 L209 | L120-L201 HydrophobicContact CD2-CD1 3.84Å; R196-L201 HydrophobicContact CB-CD2 4.02Å; R196-L201 VanDerWaalsContact CZ-CD2 3.5Å; S198-L201 PolarHBondContact O-N 2.91Å; W199-L201 VanDerWaalsContact C-N 3.31Å; L201-K206 HydrophobicContact CB-CG 3.84Å; L201-K206 HydrophobicContact CD1-CG 4.47Å; L201-K206 VanDerWaalsContact O-CE 3.3Å; L201-K206 WeakPolarHBondContact O-CE 3.37Å; L201-L209 HydrophobicContact CD1-CD1 3.8Å |
| 202 | E | 91.4 | Very high | 91.3 | Very high | 129 Ų | 129 | 69 Ų | 69 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | trans | -66.4 | 158.1 | 173.4 | -70.1 | -59.5 | 149.7 | 0 | 0 | 111.5 | S204 E205 K206 | E202-S204 VanDerWaalsContact C-N 3.31Å; E202-S204 PolarHBondContact O-N 2.82Å; E202-E205 HydrophobicContact CB-CG 4.2Å; E202-E205 PolarHBondContact N-OE2 2.91Å; E202-E205 WeakPolarHBondContact O-CB 3.37Å; E202-E205 PolarHBondContact O-N 2.8Å; E202-E205 VanDerWaalsContact O-N 3.09Å; E202-K206 PolarHBondContact O-N 3.41Å | ||
| 203 | T | 91.7 | Very high | 91 | Very high | 67 Ų | 67 | 67.9 Ų | 67.9 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.7 | -45.4 | -179.4 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | E205 K206 E207 L243 | T203-E205 VanDerWaalsContact C-N 3.3Å; T203-E205 PolarHBondContact O-N 2.81Å; T203-K206 PolarHBondContact O-N 2.96Å; T203-E207 WeakPolarHBondContact O-CG 3.45Å; T203-E207 PolarHBondContact O-N 3.08Å; T203-L243 HydrophobicContact CG2-CD1 4.11Å; T203-L243 HydrophobicContact CG2-CD2 3.83Å |
| 204 | S | 92.4 | Very high | 91 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 57% | 0.566 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.7 | -33.1 | 178.8 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | E202 A208 | E202-S204 VanDerWaalsContact C-N 3.31Å; E202-S204 PolarHBondContact O-N 2.82Å; S204-A208 WeakPolarHBondContact O-CB 3.45Å; S204-A208 PolarHBondContact O-N 2.75Å |
| 205 | E | 91 | Very high | 91 | Very high | 61 Ų | 61 | 61.5 Ų | 61.5 | 29% | 0.285 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.9 | -44.8 | 176.2 | -66.8 | -174.3 | 123.7 | 0 | 0 | 110.9 | R196 E202 T203 E207 A208 L209 | R196-E205 IonicContact CZ-OE1 3.85Å; R196-E205 IonicContact CZ-OE2 2.67Å; R196-E205 IonicContact NH1-OE1 3.75Å; R196-E205 PolarHBondContact NH1-OE1 2.99Å; R196-E205 IonicContact NH1-OE2 2.73Å; R196-E205 PolarHBondContact NH1-OE2 3Å; R196-E205 IonicContact NH2-OE1 3.83Å; R196-E205 PolarHBondContact NH2-OE1 3.26Å; R196-E205 IonicContact NH2-OE2 3.31Å; E202-E205 HydrophobicContact CB-CG 4.2Å; E202-E205 PolarHBondContact N-OE2 2.91Å; E202-E205 WeakPolarHBondContact O-CB 3.37Å; E202-E205 PolarHBondContact O-N 2.8Å; E202-E205 VanDerWaalsContact O-N 3.09Å; T203-E205 VanDerWaalsContact C-N 3.3Å; T203-E205 PolarHBondContact O-N 2.81Å; E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 3.32Å; E205-A208 PolarHBondContact O-N 3.25Å; E205-A208 VanDerWaalsContact O-N 3.14Å; E205-L209 WeakPolarHBondContact O-CG 3.31Å; E205-L209 PolarHBondContact O-N 2.96Å |
| 206 | K | 91.9 | Very high | 91.1 | Very high | 16 Ų | 16 | 62 Ų | 62 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 174.1 | -72.4 | 175.3 | 176.4 | 177 | 0 | 111.9 | S198 L201 E202 T203 L209 A210 T242 L243 | S198-K206 WeakPolarHBondContact O-CE 3.49Å; S198-K206 PolarHBondContact O-NZ 2.67Å; L201-K206 HydrophobicContact CB-CG 3.84Å; L201-K206 HydrophobicContact CD1-CG 4.47Å; L201-K206 VanDerWaalsContact O-CE 3.3Å; L201-K206 WeakPolarHBondContact O-CE 3.37Å; E202-K206 PolarHBondContact O-N 3.41Å; T203-K206 PolarHBondContact O-N 2.96Å; K206-L209 PolarHBondContact O-N 3.03Å; K206-A210 VanDerWaalsContact O-CB 3.28Å; K206-A210 WeakPolarHBondContact O-CB 3.47Å; K206-A210 PolarHBondContact O-N 2.7Å; K206-T242 PolarHBondContact NZ-OG1 3.44Å; K206-L243 HydrophobicContact CD-CD2 3.77Å; K206-L243 HydrophobicContact CD-CG 4.45Å |
| 207 | E | 93.5 | Very high | 91.2 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 176.2 | -73.6 | -177.6 | -164.7 | 0 | 0 | 112.6 | T203 E205 A210 R211 L240 L243 P248 | T203-E207 WeakPolarHBondContact O-CG 3.45Å; T203-E207 PolarHBondContact O-N 3.08Å; E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 3.32Å; E207-A210 PolarHBondContact O-N 3.26Å; E207-R211 WeakPolarHBondContact O-CB 3.32Å; E207-R211 WeakPolarHBondContact O-CG 3.11Å; E207-R211 PolarHBondContact O-N 3.01Å; E207-R211 PolarHBondContact O-NE 3.3Å; E207-L240 HydrophobicContact CG-CD2 4.15Å; E207-L243 HydrophobicContact CG-CD1 4.12Å; E207-P248 HydrophobicContact CG-CB 4.21Å; E207-P248 HydrophobicContact CG-CG 4.02Å |
| 208 | A | 92.5 | Very high | 91.6 | Very high | 41 Ų | 41 | 55 Ų | 55 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S204 E205 A210 R211 E212 | S204-A208 WeakPolarHBondContact O-CB 3.45Å; S204-A208 PolarHBondContact O-N 2.75Å; E205-A208 PolarHBondContact O-N 3.25Å; E205-A208 VanDerWaalsContact O-N 3.14Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.21Å; A208-R211 WeakPolarHBondContact O-CB 3.18Å; A208-R211 PolarHBondContact O-N 3.11Å; A208-E212 PolarHBondContact O-N 3.42Å |
| 209 | L | 90.6 | Very high | 92 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 20% | 0.199 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 176 | -68.9 | 166.2 | 0 | 0 | 0 | 111.7 | L120 L201 E205 K206 R211 E212 E213 L239 | L120-L209 HydrophobicContact CD2-CD1 4.12Å; L201-L209 HydrophobicContact CD1-CD1 3.8Å; E205-L209 WeakPolarHBondContact O-CG 3.31Å; E205-L209 PolarHBondContact O-N 2.96Å; K206-L209 PolarHBondContact O-N 3.03Å; L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 2.89Å; L209-E212 PolarHBondContact O-N 3.13Å; L209-E213 WeakPolarHBondContact O-CG 3.23Å; L209-E213 PolarHBondContact O-N 3.16Å; L209-L239 HydrophobicContact CB-CD1 3.6Å; L209-L239 HydrophobicContact CD1-CD2 4.47Å |
| 210 | A | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K206 E207 A208 E213 R214 A236 L239 L240 | K206-A210 VanDerWaalsContact O-CB 3.28Å; K206-A210 WeakPolarHBondContact O-CB 3.47Å; K206-A210 PolarHBondContact O-N 2.7Å; E207-A210 PolarHBondContact O-N 3.26Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.21Å; A210-E213 PolarHBondContact O-N 3.2Å; A210-R214 WeakPolarHBondContact O-CB 3.44Å; A210-R214 PolarHBondContact O-N 3.23Å; A210-A236 HydrophobicContact CB-CB 4.16Å; A210-A236 WeakPolarHBondContact O-CB 3.42Å; A210-L239 HydrophobicContact CB-CB 4.4Å; A210-L239 HydrophobicContact CB-CD1 4.44Å; A210-L240 HydrophobicContact CB-CD1 4.02Å; A210-L240 HydrophobicContact CB-CD2 3.59Å; A210-L240 HydrophobicContact CB-CG 3.67Å |
| 211 | R | 94.7 | Very high | 92.5 | Very high | 116 Ų | 116 | 45.4 Ų | 45.4 | 44% | 0.438 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 173 | -85.1 | -179.1 | -89.2 | 110.6 | -4.5 | 112.1 | E207 A208 L209 R214 A215 E250 | E207-R211 WeakPolarHBondContact O-CB 3.32Å; E207-R211 WeakPolarHBondContact O-CG 3.11Å; E207-R211 PolarHBondContact O-N 3.01Å; E207-R211 PolarHBondContact O-NE 3.3Å; A208-R211 WeakPolarHBondContact O-CB 3.18Å; A208-R211 PolarHBondContact O-N 3.11Å; L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 2.89Å; R211-R214 WeakPolarHBondContact O-CB 3.4Å; R211-R214 PolarHBondContact O-N 3.07Å; R211-A215 PolarHBondContact O-N 3.41Å; R211-E250 HydrophobicContact CG-CG 4.11Å; R211-E250 WeakPolarHBondContact CG-OE2 3.47Å |
| 212 | E | 91.8 | Very high | 92.7 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 175.4 | -167.7 | -173.3 | 155.4 | 0 | 0 | 111.6 | A208 L209 R214 A215 R216 | A208-E212 PolarHBondContact O-N 3.42Å; L209-E212 PolarHBondContact O-N 3.13Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.41Å; E212-A215 PolarHBondContact O-N 3.01Å; E212-R216 PolarHBondContact O-N 2.89Å; E212-R216 IonicContact OE1-NH2 3.55Å; E212-R216 PolarHBondContact OE1-NH2 3.35Å |
| 213 | E | 92.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 173.7 | -73.6 | -63 | 145.6 | 0 | 0 | 111.9 | R152 L209 A210 R216 G217 C232 R235 A236 L239 | R152-E213 IonicContact CZ-OE1 3.39Å; R152-E213 IonicContact NH1-OE1 3.62Å; R152-E213 PolarHBondContact NH1-OE1 3.34Å; R152-E213 IonicContact NH1-OE2 3.17Å; L209-E213 WeakPolarHBondContact O-CG 3.23Å; L209-E213 PolarHBondContact O-N 3.16Å; A210-E213 PolarHBondContact O-N 3.2Å; E213-R216 VanDerWaalsContact CD-NH1 3.32Å; E213-R216 IonicContact OE1-CZ 3.92Å; E213-R216 IonicContact OE1-NH1 3.3Å; E213-R216 PolarHBondContact OE1-NH1 2.95Å; E213-R216 IonicContact OE2-NH1 3.96Å; E213-G217 PolarHBondContact O-N 2.93Å; E213-C232 VanDerWaalsContact O-CB 3.32Å; E213-C232 WeakPolarHBondContact O-CB 3.36Å; E213-R235 HydrophobicContact CG-CB 4.26Å; E213-R235 IonicContact OE1-NE 3.19Å; E213-R235 IonicContact OE2-CZ 2.7Å; E213-R235 VanDerWaalsContact OE2-CZ 3.28Å; E213-R235 IonicContact OE2-NE 3.88Å; E213-R235 PolarHBondContact OE2-NE 3.47Å; E213-R235 IonicContact OE2-NH2 2.67Å; E213-R235 PolarHBondContact OE2-NH2 3.01Å; E213-A236 HydrophobicContact CB-CB 3.69Å; E213-L239 HydrophobicContact CG-CD1 4.37Å |
| 214 | R | 95.3 | Very high | 92.6 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 173.5 | 177.3 | 178.9 | 160.9 | -156.9 | -6.5 | 111.5 | D54 A210 R211 E212 R216 G217 T218 Y233 E250 L254 | D54-R214 IonicContact OD2-NE 3.46Å; D54-R214 IonicContact OD2-NH2 3.23Å; D54-R214 PolarHBondContact OD2-NH2 3.16Å; A210-R214 WeakPolarHBondContact O-CB 3.44Å; A210-R214 PolarHBondContact O-N 3.23Å; R211-R214 WeakPolarHBondContact O-CB 3.4Å; R211-R214 PolarHBondContact O-N 3.07Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.41Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 2.88Å; R214-G217 PolarHBondContact O-N 3.47Å; R214-T218 PolarHBondContact O-N 3.39Å; R214-T218 PolarHBondContact O-OG1 3.24Å; R214-Y233 HydrophobicContact CG-CE1 4.25Å; R214-E250 WeakPolarHBondContact CD-OE1 3.26Å; R214-E250 IonicContact CZ-OE1 2.71Å; R214-E250 IonicContact NE-OE1 2.72Å; R214-E250 PolarHBondContact NE-OE1 3.09Å; R214-E250 IonicContact NH1-OE1 2.72Å; R214-E250 PolarHBondContact NH1-OE1 3.22Å; R214-E250 IonicContact NH1-OE2 3.46Å; R214-E250 PolarHBondContact NH1-OE2 2.47Å; R214-L254 HydrophobicContact CB-CD2 3.81Å; R214-L254 HydrophobicContact CG-CD2 4.11Å |
| 215 | A | 93.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.4 | -51.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | R211 E212 G217 T218 E219 | R211-A215 PolarHBondContact O-N 3.41Å; E212-A215 PolarHBondContact O-N 3.01Å; A215-G217 VanDerWaalsContact C-N 3.33Å; A215-G217 PolarHBondContact O-N 3.17Å; A215-T218 CarbonylContact O-C 3.6Å; A215-T218 WeakPolarHBondContact O-CA 3.34Å; A215-T218 VanDerWaalsContact O-CB 3.31Å; A215-T218 WeakPolarHBondContact O-CB 3.47Å; A215-T218 PolarHBondContact O-N 3.4Å; A215-E219 PolarHBondContact O-N 3.39Å |
| 216 | R | 90.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 6% | 0.057 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.3 | -44.9 | 176.5 | -165 | -178.2 | -61.5 | 131.7 | 5.3 | 112.7 | E153 E212 E213 R214 T218 E219 L220 | E153-R216 HydrophobicContact CG-CG 4.35Å; E153-R216 WeakPolarHBondContact OE1-CD 3.39Å; E153-R216 WeakPolarHBondContact OE1-CG 3.44Å; E153-R216 IonicContact OE1-NE 3.38Å; E212-R216 PolarHBondContact O-N 2.89Å; E212-R216 IonicContact OE1-NH2 3.55Å; E212-R216 PolarHBondContact OE1-NH2 3.35Å; E213-R216 VanDerWaalsContact CD-NH1 3.32Å; E213-R216 IonicContact OE1-CZ 3.92Å; E213-R216 IonicContact OE1-NH1 3.3Å; E213-R216 PolarHBondContact OE1-NH1 2.95Å; E213-R216 IonicContact OE2-NH1 3.96Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 2.88Å; R216-T218 PolarHBondContact O-N 2.86Å; R216-E219 PolarHBondContact N-OE2 2.7Å; R216-E219 PolarHBondContact O-N 3.47Å; R216-L220 WeakPolarHBondContact O-CG 3.32Å; R216-L220 PolarHBondContact O-N 3.46Å |
| 217 | G | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -34.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E213 R214 A215 F221 A229 C232 Y233 | E213-G217 PolarHBondContact O-N 2.93Å; R214-G217 PolarHBondContact O-N 3.47Å; A215-G217 VanDerWaalsContact C-N 3.33Å; A215-G217 PolarHBondContact O-N 3.17Å; G217-F221 WeakPolarHBondContact O-CB 3.5Å; G217-F221 PolarHBondContact O-N 2.96Å; G217-A229 WeakPolarHBondContact O-CB 3.38Å; G217-C232 VanDerWaalsContact CA-CB 3.45Å; G217-Y233 VanDerWaalsContact C-OH 3.26Å; G217-Y233 PolarHBondContact O-OH 3.35Å |
| 218 | T | 95.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.9 | -39.2 | 178.4 | -47.4 | 0 | 0 | 0 | 0 | 110.8 | P55 R214 A215 R216 F221 R222 Y233 | P55-T218 HydrophobicContact CG-CG2 4.06Å; R214-T218 PolarHBondContact O-N 3.39Å; R214-T218 PolarHBondContact O-OG1 3.24Å; A215-T218 CarbonylContact O-C 3.6Å; A215-T218 WeakPolarHBondContact O-CA 3.34Å; A215-T218 VanDerWaalsContact O-CB 3.31Å; A215-T218 WeakPolarHBondContact O-CB 3.47Å; A215-T218 PolarHBondContact O-N 3.4Å; R216-T218 PolarHBondContact O-N 2.86Å; T218-F221 PolarHBondContact O-N 3.49Å; T218-R222 VanDerWaalsContact CG2-CZ 3.41Å; T218-R222 VanDerWaalsContact CG2-NH2 3.32Å; T218-R222 VanDerWaalsContact O-CG 3.29Å; T218-R222 WeakPolarHBondContact O-CG 3.44Å; T218-R222 PolarHBondContact O-N 3.36Å; T218-Y233 WeakPolarHBondContact CA-OH 3.13Å; T218-Y233 PolarHBondContact N-OH 2.9Å; T218-Y233 PolarHBondContact OG1-OH 3.46Å |
| 219 | E | 92.3 | Very high | 92.3 | Very high | 98 Ų | 98 | 43.1 Ų | 43.1 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 169.6 | -85.2 | 85.7 | -112.5 | 0 | 0 | 111.8 | A215 R216 F221 R222 A223 | A215-E219 PolarHBondContact O-N 3.39Å; R216-E219 PolarHBondContact N-OE2 2.7Å; R216-E219 PolarHBondContact O-N 3.47Å; E219-F221 VanDerWaalsContact C-N 3.3Å; E219-F221 PolarHBondContact O-N 3.07Å; E219-R222 WeakPolarHBondContact O-CB 2.78Å; E219-R222 PolarHBondContact O-N 3.02Å; E219-R222 VanDerWaalsContact O-N 3.17Å; E219-R222 IonicContact OE1-CZ 3.26Å; E219-R222 IonicContact OE1-NH1 2.73Å; E219-R222 PolarHBondContact OE1-NH1 3.4Å; E219-A223 WeakPolarHBondContact O-CB 3.49Å; E219-A223 PolarHBondContact O-N 2.97Å |
| 220 | L | 90 | Very high | 92.4 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 178.8 | -70.2 | 172.1 | 0 | 0 | 0 | 112.2 | E153 R216 A223 G224 N225 G228 A229 C232 | E153-L220 HydrophobicContact CG-CD2 4.48Å; R216-L220 WeakPolarHBondContact O-CG 3.32Å; R216-L220 PolarHBondContact O-N 3.46Å; L220-A223 CarbonylContact O-C 3.57Å; L220-A223 PolarHBondContact O-N 3.49Å; L220-G224 PolarHBondContact O-N 2.7Å; L220-N225 HydrophobicContact CB-CB 4.46Å; L220-N225 PolarHBondContact O-N 2.67Å; L220-G228 VanDerWaalsContact CD1-C 3.49Å; L220-A229 HydrophobicContact CB-CB 4.18Å; L220-C232 WeakPolarHBondContact CD1-SG 3.37Å |
| 221 | F | 94.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.7 | -169.8 | -89 | 0 | 0 | 0 | 111.5 | A56 I59 G217 T218 E219 A223 G224 A229 A260 C261 L264 | A56-F221 VanDerWaalsContact CA-CE1 3.46Å; A56-F221 HydrophobicContact CB-CD1 3.69Å; A56-F221 HydrophobicContact CB-CE1 3.66Å; A56-F221 HydrophobicContact CB-CG 4.31Å; A56-F221 HydrophobicContact CB-CZ 4.23Å; I59-F221 HydrophobicContact CB-CE1 4.11Å; I59-F221 HydrophobicContact CD1-CD1 4.03Å; I59-F221 HydrophobicContact CD1-CE1 3.98Å; I59-F221 HydrophobicContact CG1-CE1 4.42Å; G217-F221 WeakPolarHBondContact O-CB 3.5Å; G217-F221 PolarHBondContact O-N 2.96Å; T218-F221 PolarHBondContact O-N 3.49Å; E219-F221 VanDerWaalsContact C-N 3.3Å; E219-F221 PolarHBondContact O-N 3.07Å; F221-A223 VanDerWaalsContact C-N 3.25Å; F221-A223 PolarHBondContact O-N 2.58Å; F221-G224 PolarHBondContact O-N 2.9Å; F221-G224 VanDerWaalsContact O-N 3.08Å; F221-A229 HydrophobicContact CB-CB 3.82Å; F221-A229 HydrophobicContact CD2-CB 4.23Å; F221-A260 HydrophobicContact CE2-CB 4.09Å; F221-A260 HydrophobicContact CZ-CB 4.12Å; F221-C261 VanDerWaalsContact CD2-SG 3.53Å; F221-L264 HydrophobicContact CE2-CD1 3.52Å; F221-L264 HydrophobicContact CZ-CD1 3.63Å |
| 222 | R | 94.3 | Very high | 92.1 | Very high | 115 Ų | 115 | 41 Ų | 41 | 43% | 0.434 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.7 | -34 | 175.1 | -68.8 | 177.8 | -160.1 | 106.4 | -4.5 | 112.1 | P55 T218 E219 G224 | P55-R222 HydrophobicContact CB-CG 4.36Å; P55-R222 HydrophobicContact CG-CG 4.38Å; T218-R222 VanDerWaalsContact CG2-CZ 3.41Å; T218-R222 VanDerWaalsContact CG2-NH2 3.32Å; T218-R222 VanDerWaalsContact O-CG 3.29Å; T218-R222 WeakPolarHBondContact O-CG 3.44Å; T218-R222 PolarHBondContact O-N 3.36Å; E219-R222 WeakPolarHBondContact O-CB 2.78Å; E219-R222 PolarHBondContact O-N 3.02Å; E219-R222 VanDerWaalsContact O-N 3.17Å; E219-R222 IonicContact OE1-CZ 3.26Å; E219-R222 IonicContact OE1-NH1 2.73Å; E219-R222 PolarHBondContact OE1-NH1 3.4Å; R222-G224 PolarHBondContact O-N 3.18Å |
| 223 | A | 90.5 | Very high | 92.3 | Very high | 80 Ų | 80 | 37.1 Ų | 37.1 | 66% | 0.661 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 1.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | E219 L220 F221 | E219-A223 WeakPolarHBondContact O-CB 3.49Å; E219-A223 PolarHBondContact O-N 2.97Å; L220-A223 CarbonylContact O-C 3.57Å; L220-A223 PolarHBondContact O-N 3.49Å; F221-A223 VanDerWaalsContact C-N 3.25Å; F221-A223 PolarHBondContact O-N 2.58Å |
| 224 | G | 91.7 | Very high | 92.4 | Very high | 58 Ų | 58 | 37.5 Ų | 37.5 | 60% | 0.598 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 21.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | L220 F221 R222 P226 | L220-G224 PolarHBondContact O-N 2.7Å; F221-G224 PolarHBondContact O-N 2.9Å; F221-G224 VanDerWaalsContact O-N 3.08Å; R222-G224 PolarHBondContact O-N 3.18Å; G224-P226 WeakPolarHBondContact O-CD 3.17Å |
| 225 | N | 90.3 | Very high | 92.2 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | trans | -109.7 | 76.4 | 176.5 | -175.3 | -7.8 | 0 | 0 | 0 | 110.6 | L220 E227 G228 A229 | L220-N225 HydrophobicContact CB-CB 4.46Å; L220-N225 PolarHBondContact O-N 2.67Å; N225-E227 VanDerWaalsContact C-N 3.28Å; N225-E227 PolarHBondContact O-N 2.76Å; N225-G228 PolarHBondContact O-N 2.76Å; N225-G228 PolarHBondContact OD1-N 3.44Å; N225-A229 WeakPolarHBondContact O-CB 3.49Å; N225-A229 PolarHBondContact O-N 3.27Å | ||
| 226 | P | 93.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 34.2 Ų | 34.2 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -28.7 | -178.6 | 26.9 | -33.9 | 0 | 0 | 0 | 113.1 | G224 A229 A230 C261 L264 L265 | G224-P226 WeakPolarHBondContact O-CD 3.17Å; P226-A229 PolarHBondContact O-N 3.28Å; P226-A230 WeakPolarHBondContact O-CB 3.25Å; P226-A230 PolarHBondContact O-N 2.95Å; P226-C261 HydrophobicContact CB-CB 4.46Å; P226-L264 HydrophobicContact CB-CB 4.11Å; P226-L264 HydrophobicContact CB-CD1 4.05Å; P226-L264 HydrophobicContact CG-CB 4.29Å; P226-L265 HydrophobicContact CB-CD2 4.18Å; P226-L265 HydrophobicContact CB-CG 4.3Å; P226-L265 HydrophobicContact CG-CD2 3.9Å; P226-L265 HydrophobicContact CG-CG 4.49Å |
| 227 | E | 89.8 | Confident | 92.5 | Very high | 92 Ų | 92 | 34.8 Ų | 34.8 | 43% | 0.43 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.3 | -51.3 | 175.8 | -64.1 | 76.7 | -174.3 | 0 | 0 | 110.4 | N225 A229 A230 R231 L265 | N225-E227 VanDerWaalsContact C-N 3.28Å; N225-E227 PolarHBondContact O-N 2.76Å; E227-A229 VanDerWaalsContact C-N 3.34Å; E227-A229 PolarHBondContact O-N 2.91Å; E227-A230 PolarHBondContact O-N 3.23Å; E227-R231 WeakPolarHBondContact O-CG 3.4Å; E227-R231 PolarHBondContact O-N 3.13Å; E227-R231 VanDerWaalsContact O-N 3.09Å; E227-R231 PolarHBondContact O-NH1 3.3Å; E227-L265 HydrophobicContact CB-CD2 4.45Å; E227-L265 HydrophobicContact CG-CD2 3.5Å; E227-L265 WeakPolarHBondContact OE1-CD2 3.49Å |
| 228 | G | 87.5 | Confident | 92.5 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L220 N225 R231 C232 | L220-G228 VanDerWaalsContact CD1-C 3.49Å; N225-G228 PolarHBondContact O-N 2.76Å; N225-G228 PolarHBondContact OD1-N 3.44Å; G228-R231 PolarHBondContact O-N 3Å; G228-C232 PolarHBondContact O-N 3.49Å; G228-C232 VanDerWaalsContact O-N 3.09Å; G228-C232 PolarHBondContact O-SG 3.49Å |
| 229 | A | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -49.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G217 L220 F221 N225 P226 E227 R231 C232 Y233 | G217-A229 WeakPolarHBondContact O-CB 3.38Å; L220-A229 HydrophobicContact CB-CB 4.18Å; F221-A229 HydrophobicContact CB-CB 3.82Å; F221-A229 HydrophobicContact CD2-CB 4.23Å; N225-A229 WeakPolarHBondContact O-CB 3.49Å; N225-A229 PolarHBondContact O-N 3.27Å; P226-A229 PolarHBondContact O-N 3.28Å; E227-A229 VanDerWaalsContact C-N 3.34Å; E227-A229 PolarHBondContact O-N 2.91Å; A229-R231 VanDerWaalsContact C-N 3.26Å; A229-R231 PolarHBondContact O-N 3.32Å; A229-C232 PolarHBondContact O-N 3.04Å; A229-C232 VanDerWaalsContact O-N 3.13Å; A229-Y233 HydrophobicContact CB-CE2 3.96Å; A229-Y233 WeakPolarHBondContact O-CD2 3.18Å; A229-Y233 PolarHBondContact O-N 3.31Å |
| 230 | A | 94 | Very high | 92.4 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P226 E227 Y233 G234 L258 C261 L265 | P226-A230 WeakPolarHBondContact O-CB 3.25Å; P226-A230 PolarHBondContact O-N 2.95Å; E227-A230 PolarHBondContact O-N 3.23Å; A230-Y233 PolarHBondContact O-N 3.37Å; A230-G234 PolarHBondContact O-N 3.17Å; A230-L258 HydrophobicContact CB-CD1 3.83Å; A230-C261 HydrophobicContact CB-CB 3.86Å; A230-L265 HydrophobicContact CB-CD1 4.24Å |
| 231 | R | 88.7 | Confident | 92.5 | Very high | 90 Ų | 90 | 44.3 Ų | 44.3 | 34% | 0.34 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 175 | -70.6 | -167.7 | -60.8 | -84.4 | 7.1 | 112.1 | E158 E227 G228 A229 Y233 G234 R235 | E158-R231 WeakPolarHBondContact OE2-CD 3.34Å; E158-R231 IonicContact OE2-CZ 2.69Å; E158-R231 IonicContact OE2-NE 2.95Å; E158-R231 PolarHBondContact OE2-NE 3.09Å; E227-R231 WeakPolarHBondContact O-CG 3.4Å; E227-R231 PolarHBondContact O-N 3.13Å; E227-R231 VanDerWaalsContact O-N 3.09Å; E227-R231 PolarHBondContact O-NH1 3.3Å; G228-R231 PolarHBondContact O-N 3Å; A229-R231 VanDerWaalsContact C-N 3.26Å; A229-R231 PolarHBondContact O-N 3.32Å; R231-Y233 PolarHBondContact O-N 3.17Å; R231-G234 PolarHBondContact O-N 2.99Å; R231-R235 WeakPolarHBondContact O-CG 2.9Å; R231-R235 PolarHBondContact O-N 3.39Å |
| 232 | C | 91.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 177 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | E213 G217 L220 G228 A229 G234 R235 A236 | E213-C232 VanDerWaalsContact O-CB 3.32Å; E213-C232 WeakPolarHBondContact O-CB 3.36Å; G217-C232 VanDerWaalsContact CA-CB 3.45Å; L220-C232 WeakPolarHBondContact CD1-SG 3.37Å; G228-C232 PolarHBondContact O-N 3.49Å; G228-C232 VanDerWaalsContact O-N 3.09Å; G228-C232 PolarHBondContact O-SG 3.49Å; A229-C232 PolarHBondContact O-N 3.04Å; A229-C232 VanDerWaalsContact O-N 3.13Å; C232-G234 VanDerWaalsContact C-N 3.32Å; C232-G234 PolarHBondContact O-N 3.37Å; C232-R235 PolarHBondContact O-N 2.91Å; C232-R235 PolarHBondContact SG-NH2 3.3Å; C232-A236 PolarHBondContact O-N 3.21Å |
| 233 | Y | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 176.2 | -57.4 | -40.2 | 0 | 0 | 0 | 112.6 | R214 G217 T218 A229 A230 R231 R235 A236 L237 L254 N257 L258 C261 | R214-Y233 HydrophobicContact CG-CE1 4.25Å; G217-Y233 VanDerWaalsContact C-OH 3.26Å; G217-Y233 PolarHBondContact O-OH 3.35Å; T218-Y233 WeakPolarHBondContact CA-OH 3.13Å; T218-Y233 PolarHBondContact N-OH 2.9Å; T218-Y233 PolarHBondContact OG1-OH 3.46Å; A229-Y233 HydrophobicContact CB-CE2 3.96Å; A229-Y233 WeakPolarHBondContact O-CD2 3.18Å; A229-Y233 PolarHBondContact O-N 3.31Å; A230-Y233 PolarHBondContact O-N 3.37Å; R231-Y233 PolarHBondContact O-N 3.17Å; Y233-R235 VanDerWaalsContact C-N 3.35Å; Y233-R235 PolarHBondContact O-N 2.91Å; Y233-A236 WeakPolarHBondContact O-CB 3.43Å; Y233-A236 PolarHBondContact O-N 2.86Å; Y233-L237 WeakPolarHBondContact O-CB 3.35Å; Y233-L237 WeakPolarHBondContact O-CG 3.17Å; Y233-L237 PolarHBondContact O-N 3.3Å; Y233-L254 HydrophobicContact CD1-CD2 3.68Å; Y233-L254 HydrophobicContact CG-CD2 4.35Å; Y233-N257 HydrophobicContact CD1-CB 4.45Å; Y233-N257 HydrophobicContact CD2-CB 4.09Å; Y233-N257 HydrophobicContact CE1-CB 4.03Å; Y233-N257 HydrophobicContact CE2-CB 3.64Å; Y233-N257 HydrophobicContact CG-CB 4.48Å; Y233-L258 HydrophobicContact CD2-CB 4.49Å; Y233-C261 VanDerWaalsContact CE2-SG 3.6Å |
| 234 | G | 94.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 44 Ų | 44 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A230 R231 C232 L237 R238 | A230-G234 PolarHBondContact O-N 3.17Å; R231-G234 PolarHBondContact O-N 2.99Å; C232-G234 VanDerWaalsContact C-N 3.32Å; C232-G234 PolarHBondContact O-N 3.37Å; G234-L237 PolarHBondContact O-N 3.23Å; G234-R238 WeakPolarHBondContact O-CG 3.48Å; G234-R238 PolarHBondContact O-N 3.27Å |
| 235 | R | 90.8 | Very high | 91.6 | Very high | 35 Ų | 35 | 46.8 Ų | 46.8 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.7 | -43.4 | 175.5 | -69.2 | -173.9 | -59.2 | -117.4 | 4.1 | 112.3 | E213 R231 C232 Y233 L237 R238 L239 | E213-R235 HydrophobicContact CG-CB 4.26Å; E213-R235 IonicContact OE1-NE 3.19Å; E213-R235 IonicContact OE2-CZ 2.7Å; E213-R235 VanDerWaalsContact OE2-CZ 3.28Å; E213-R235 IonicContact OE2-NE 3.88Å; E213-R235 PolarHBondContact OE2-NE 3.47Å; E213-R235 IonicContact OE2-NH2 2.67Å; E213-R235 PolarHBondContact OE2-NH2 3.01Å; R231-R235 WeakPolarHBondContact O-CG 2.9Å; R231-R235 PolarHBondContact O-N 3.39Å; C232-R235 PolarHBondContact O-N 2.91Å; C232-R235 PolarHBondContact SG-NH2 3.3Å; Y233-R235 VanDerWaalsContact C-N 3.35Å; Y233-R235 PolarHBondContact O-N 2.91Å; R235-L237 VanDerWaalsContact C-N 3.3Å; R235-L237 PolarHBondContact O-N 3.23Å; R235-R238 WeakPolarHBondContact O-CB 3.14Å; R235-R238 PolarHBondContact O-N 3.4Å; R235-R238 VanDerWaalsContact O-N 3.16Å; R235-L239 PolarHBondContact O-N 3.05Å |
| 236 | A | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56 | -46.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A210 E213 C232 Y233 R238 L239 L240 L254 | A210-A236 HydrophobicContact CB-CB 4.16Å; A210-A236 WeakPolarHBondContact O-CB 3.42Å; E213-A236 HydrophobicContact CB-CB 3.69Å; C232-A236 PolarHBondContact O-N 3.21Å; Y233-A236 WeakPolarHBondContact O-CB 3.43Å; Y233-A236 PolarHBondContact O-N 2.86Å; A236-R238 VanDerWaalsContact C-N 3.34Å; A236-R238 PolarHBondContact O-N 3.48Å; A236-L239 WeakPolarHBondContact O-CB 3.29Å; A236-L239 PolarHBondContact O-N 2.91Å; A236-L240 WeakPolarHBondContact O-CG 3.48Å; A236-L240 PolarHBondContact O-N 3.02Å; A236-L240 VanDerWaalsContact O-N 3.13Å; A236-L254 HydrophobicContact CB-CD1 3.54Å; A236-L254 HydrophobicContact CB-CD2 3.51Å; A236-L254 HydrophobicContact CB-CG 4.18Å |
| 237 | L | 96.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 49 Ų | 49 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 177.7 | -73.9 | 169.5 | 0 | 0 | 0 | 112.7 | Y233 G234 R235 L240 L241 R251 L254 L258 | Y233-L237 WeakPolarHBondContact O-CB 3.35Å; Y233-L237 WeakPolarHBondContact O-CG 3.17Å; Y233-L237 PolarHBondContact O-N 3.3Å; G234-L237 PolarHBondContact O-N 3.23Å; R235-L237 VanDerWaalsContact C-N 3.3Å; R235-L237 PolarHBondContact O-N 3.23Å; L237-L240 CarbonylContact O-C 3.57Å; L237-L240 PolarHBondContact O-N 3.48Å; L237-L241 WeakPolarHBondContact O-CB 3.47Å; L237-L241 PolarHBondContact O-N 3.13Å; L237-R251 HydrophobicContact CD2-CG 4.02Å; L237-L254 HydrophobicContact CD1-CB 4.49Å; L237-L254 HydrophobicContact CD2-CB 3.72Å; L237-L254 HydrophobicContact CD2-CD1 4.07Å; L237-L254 HydrophobicContact CG-CB 3.94Å; L237-L254 HydrophobicContact CG-CD1 4.23Å; L237-L258 HydrophobicContact CD1-CD2 3.83Å |
| 238 | R | 92.4 | Very high | 90.8 | Very high | 170 Ų | 170 | 45.2 Ų | 45.2 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 174.1 | -71.4 | 178.2 | -148.8 | 154.7 | 3.2 | 112.1 | G234 R235 A236 L240 L241 | G234-R238 WeakPolarHBondContact O-CG 3.48Å; G234-R238 PolarHBondContact O-N 3.27Å; R235-R238 WeakPolarHBondContact O-CB 3.14Å; R235-R238 PolarHBondContact O-N 3.4Å; R235-R238 VanDerWaalsContact O-N 3.16Å; A236-R238 VanDerWaalsContact C-N 3.34Å; A236-R238 PolarHBondContact O-N 3.48Å; R238-L240 VanDerWaalsContact C-N 3.27Å; R238-L240 PolarHBondContact O-N 3.33Å; R238-L241 WeakPolarHBondContact O-CB 3.26Å; R238-L241 PolarHBondContact O-N 2.93Å |
| 239 | L | 91.5 | Very high | 91 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 175.2 | -71.2 | 165.2 | 0 | 0 | 0 | 111.1 | L120 L209 A210 E213 R235 A236 | L120-L239 HydrophobicContact CD2-CD2 3.93Å; L209-L239 HydrophobicContact CB-CD1 3.6Å; L209-L239 HydrophobicContact CD1-CD2 4.47Å; A210-L239 HydrophobicContact CB-CB 4.4Å; A210-L239 HydrophobicContact CB-CD1 4.44Å; E213-L239 HydrophobicContact CG-CD1 4.37Å; R235-L239 PolarHBondContact O-N 3.05Å; A236-L239 WeakPolarHBondContact O-CB 3.29Å; A236-L239 PolarHBondContact O-N 2.91Å |
| 240 | L | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -79.7 | -15.1 | 180 | -58.1 | -176.9 | 0 | 0 | 0 | 113.6 | E207 A210 A236 L237 R238 T242 L243 P248 E250 R251 L254 | E207-L240 HydrophobicContact CG-CD2 4.15Å; A210-L240 HydrophobicContact CB-CD1 4.02Å; A210-L240 HydrophobicContact CB-CD2 3.59Å; A210-L240 HydrophobicContact CB-CG 3.67Å; A236-L240 WeakPolarHBondContact O-CG 3.48Å; A236-L240 PolarHBondContact O-N 3.02Å; A236-L240 VanDerWaalsContact O-N 3.13Å; L237-L240 CarbonylContact O-C 3.57Å; L237-L240 PolarHBondContact O-N 3.48Å; R238-L240 VanDerWaalsContact C-N 3.27Å; R238-L240 PolarHBondContact O-N 3.33Å; L240-T242 PolarHBondContact O-N 3.16Å; L240-L243 HydrophobicContact CD2-CD1 3.75Å; L240-L243 WeakPolarHBondContact O-CB 3.37Å; L240-L243 PolarHBondContact O-N 3.21Å; L240-L243 VanDerWaalsContact O-N 3.11Å; L240-P248 HydrophobicContact CD1-CG 4.03Å; L240-P248 HydrophobicContact CD2-CG 3.85Å; L240-P248 HydrophobicContact CG-CG 4.45Å; L240-E250 HydrophobicContact CD1-CB 4.24Å; L240-E250 HydrophobicContact CD1-CG 4.38Å; L240-R251 HydrophobicContact CD1-CB 4.17Å; L240-R251 PolarHBondContact O-NH2 2.89Å; L240-L254 HydrophobicContact CD1-CD1 3.61Å |
| 241 | L | 92 | Very high | 91 | Very high | 131 Ų | 131 | 51.7 Ų | 51.7 | 69% | 0.686 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.2 | -35.7 | -173 | -178.2 | 63.2 | 0 | 0 | 0 | 112.5 | L237 R238 L243 | L237-L241 WeakPolarHBondContact O-CB 3.47Å; L237-L241 PolarHBondContact O-N 3.13Å; R238-L241 WeakPolarHBondContact O-CB 3.26Å; R238-L241 PolarHBondContact O-N 2.93Å; L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 3.47Å |
| 242 | T | 88.1 | Confident | 91.4 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5.3 | -177.9 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | K206 L240 | K206-T242 PolarHBondContact NZ-OG1 3.44Å; L240-T242 PolarHBondContact O-N 3.16Å |
| 243 | L | 90.5 | Very high | 91.6 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -81.8 | 142.4 | 178.3 | -58.9 | -176.4 | 0 | 0 | 0 | 111.3 | T203 K206 E207 L240 L241 P248 R251 | T203-L243 HydrophobicContact CG2-CD1 4.11Å; T203-L243 HydrophobicContact CG2-CD2 3.83Å; K206-L243 HydrophobicContact CD-CD2 3.77Å; K206-L243 HydrophobicContact CD-CG 4.45Å; E207-L243 HydrophobicContact CG-CD1 4.12Å; L240-L243 HydrophobicContact CD2-CD1 3.75Å; L240-L243 WeakPolarHBondContact O-CB 3.37Å; L240-L243 PolarHBondContact O-N 3.21Å; L240-L243 VanDerWaalsContact O-N 3.11Å; L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 3.47Å; L243-P248 HydrophobicContact CD1-CG 4.17Å; L243-R251 PolarHBondContact O-NH2 2.87Å |
| 244 | P | 87 | Confident | 91.7 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 62% | 0.623 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -60 | 143.1 | -178.1 | 24.9 | -34 | 0 | 0 | 0 | 111.6 | G247 | P244-G247 WeakPolarHBondContact O-CA 3.29Å; P244-G247 PolarHBondContact O-N 3.38Å |
| 245 | P | 85.8 | Confident | 91.9 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 75% | 0.753 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 149.5 | 175.7 | 26.3 | -33.1 | 0 | 0 | 0 | 111.6 | G247 | P245-G247 VanDerWaalsContact C-N 3.28Š|
| 246 | P | 80.9 | Confident | 92.2 | Very high | 98 Ų | 98 | 49 Ų | 49 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -74.9 | -11.5 | 5.5 | 30.9 | -35.4 | 0 | 0 | 0 | 114.1 | R251 | P246-R251 PolarHBondContact O-NH1 3.48Š|
| 247 | G | 84.8 | Confident | 92.4 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | trans | 84.4 | 172.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P244 P245 | P244-G247 WeakPolarHBondContact O-CA 3.29Å; P244-G247 PolarHBondContact O-N 3.38Å; P245-G247 VanDerWaalsContact C-N 3.28Å | ||
| 248 | P | 91.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | trans | -67.1 | 154.4 | -179.2 | 27.8 | -34.9 | 0 | 0 | 0 | 111.3 | E207 L240 L243 E250 R251 | E207-P248 HydrophobicContact CG-CB 4.21Å; E207-P248 HydrophobicContact CG-CG 4.02Å; L240-P248 HydrophobicContact CD1-CG 4.03Å; L240-P248 HydrophobicContact CD2-CG 3.85Å; L240-P248 HydrophobicContact CG-CG 4.45Å; L243-P248 HydrophobicContact CD1-CG 4.17Å; P248-E250 HydrophobicContact CB-CB 4.35Å; P248-E250 HydrophobicContact CG-CB 4.4Å; P248-E250 PolarHBondContact O-N 3.05Å; P248-R251 WeakPolarHBondContact O-CB 3.32Å; P248-R251 PolarHBondContact O-N 2.85Å | ||
| 249 | P | 91.3 | Very high | 92.8 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -29.7 | 176.4 | -23.3 | 31.1 | 0 | 0 | 0 | 114.1 | R251 T252 V253 | P249-R251 PolarHBondContact O-N 2.96Å; P249-R251 VanDerWaalsContact O-N 3.16Å; P249-T252 WeakPolarHBondContact O-CB 3.46Å; P249-T252 PolarHBondContact O-N 2.66Å; P249-V253 PolarHBondContact O-N 3.17Å |
| 250 | E | 93.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -50.3 | -36.2 | 174.6 | -161.3 | 57.8 | -103.7 | 0 | 0 | 113.2 | R211 R214 L240 P248 T252 V253 L254 | R211-E250 HydrophobicContact CG-CG 4.11Å; R211-E250 WeakPolarHBondContact CG-OE2 3.47Å; R214-E250 WeakPolarHBondContact CD-OE1 3.26Å; R214-E250 IonicContact CZ-OE1 2.71Å; R214-E250 IonicContact NE-OE1 2.72Å; R214-E250 PolarHBondContact NE-OE1 3.09Å; R214-E250 IonicContact NH1-OE1 2.72Å; R214-E250 PolarHBondContact NH1-OE1 3.22Å; R214-E250 IonicContact NH1-OE2 3.46Å; R214-E250 PolarHBondContact NH1-OE2 2.47Å; L240-E250 HydrophobicContact CD1-CB 4.24Å; L240-E250 HydrophobicContact CD1-CG 4.38Å; P248-E250 HydrophobicContact CB-CB 4.35Å; P248-E250 HydrophobicContact CG-CB 4.4Å; P248-E250 PolarHBondContact O-N 3.05Å; E250-T252 VanDerWaalsContact C-N 3.3Å; E250-T252 PolarHBondContact O-N 3.07Å; E250-V253 PolarHBondContact O-N 2.9Å; E250-L254 HydrophobicContact CG-CD1 4.28Å; E250-L254 WeakPolarHBondContact O-CG 3.2Å; E250-L254 PolarHBondContact O-N 3.36Å |
| 251 | R | 95.2 | Very high | 93.3 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 18% | 0.177 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -39.8 | 178.4 | -172.7 | -175.6 | -75.1 | 176.7 | -6.1 | 111.8 | L237 L240 L243 P246 P248 P249 H255 | L237-R251 HydrophobicContact CD2-CG 4.02Å; L240-R251 HydrophobicContact CD1-CB 4.17Å; L240-R251 PolarHBondContact O-NH2 2.89Å; L243-R251 PolarHBondContact O-NH2 2.87Å; P246-R251 PolarHBondContact O-NH1 3.48Å; P248-R251 WeakPolarHBondContact O-CB 3.32Å; P248-R251 PolarHBondContact O-N 2.85Å; P249-R251 PolarHBondContact O-N 2.96Å; P249-R251 VanDerWaalsContact O-N 3.16Å; R251-H255 PolarHBondContact O-CD2 3.01Å; R251-H255 PolarHBondContact O-N 3.08Å; R251-H255 VanDerWaalsContact O-N 3.13Å |
| 252 | T | 96 | Very high | 93.7 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 177.9 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | P249 E250 L254 H255 A256 V278 R281 E282 | P249-T252 WeakPolarHBondContact O-CB 3.46Å; P249-T252 PolarHBondContact O-N 2.66Å; E250-T252 VanDerWaalsContact C-N 3.3Å; E250-T252 PolarHBondContact O-N 3.07Å; T252-L254 PolarHBondContact O-N 3.08Å; T252-H255 PolarHBondContact O-N 3.4Å; T252-A256 PolarHBondContact O-N 3.4Å; T252-V278 HydrophobicContact CG2-CB 4.37Å; T252-V278 HydrophobicContact CG2-CG1 3.83Å; T252-V278 HydrophobicContact CG2-CG2 4.43Å; T252-R281 VanDerWaalsContact OG1-CD 3.29Å; T252-R281 WeakPolarHBondContact OG1-CD 3.12Å; T252-R281 PolarHBondContact OG1-NH1 3.4Å; T252-E282 HydrophobicContact CG2-CG 4.39Å |
| 253 | V | 96.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 31.7 Ų | 31.7 | 26% | 0.261 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 179.5 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | P249 E250 H255 A256 N257 | P249-V253 PolarHBondContact O-N 3.17Å; E250-V253 PolarHBondContact O-N 2.9Å; V253-H255 PolarHBondContact O-N 3.42Å; V253-A256 PolarHBondContact O-N 3.23Å; V253-N257 PolarHBondContact O-N 3.47Å |
| 254 | L | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.3 | -74 | 168 | 0 | 0 | 0 | 112.7 | R214 Y233 A236 L237 L240 E250 T252 N257 L258 | R214-L254 HydrophobicContact CB-CD2 3.81Å; R214-L254 HydrophobicContact CG-CD2 4.11Å; Y233-L254 HydrophobicContact CD1-CD2 3.68Å; Y233-L254 HydrophobicContact CG-CD2 4.35Å; A236-L254 HydrophobicContact CB-CD1 3.54Å; A236-L254 HydrophobicContact CB-CD2 3.51Å; A236-L254 HydrophobicContact CB-CG 4.18Å; L237-L254 HydrophobicContact CD1-CB 4.49Å; L237-L254 HydrophobicContact CD2-CB 3.72Å; L237-L254 HydrophobicContact CD2-CD1 4.07Å; L237-L254 HydrophobicContact CG-CB 3.94Å; L237-L254 HydrophobicContact CG-CD1 4.23Å; L240-L254 HydrophobicContact CD1-CD1 3.61Å; E250-L254 HydrophobicContact CG-CD1 4.28Å; E250-L254 WeakPolarHBondContact O-CG 3.2Å; E250-L254 PolarHBondContact O-N 3.36Å; T252-L254 PolarHBondContact O-N 3.08Å; L254-N257 PolarHBondContact O-N 3.3Å; L254-L258 WeakPolarHBondContact O-CB 3.46Å; L254-L258 PolarHBondContact O-N 3.32Å |
| 255 | H | 98.2 | Very high | 95 | Very high | 34 Ų | 34 | 31 Ų | 31 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 175 | -77.6 | -59.5 | 0 | 0 | 0 | 112.4 | R251 T252 V253 L258 A259 R277 V278 | R251-H255 PolarHBondContact O-CD2 3.01Å; R251-H255 PolarHBondContact O-N 3.08Å; R251-H255 VanDerWaalsContact O-N 3.13Å; T252-H255 PolarHBondContact O-N 3.4Å; V253-H255 PolarHBondContact O-N 3.42Å; H255-L258 PolarHBondContact O-N 3.09Å; H255-A259 WeakPolarHBondContact O-CB 3.18Å; H255-A259 PolarHBondContact O-N 3.31Å; H255-R277 HydrophobicContact CB-CB 4.23Å; H255-V278 HydrophobicContact CB-CG2 3.66Å |
| 256 | A | 98.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T252 V253 A259 A260 V278 R291 | T252-A256 PolarHBondContact O-N 3.4Å; V253-A256 PolarHBondContact O-N 3.23Å; A256-A259 PolarHBondContact O-N 3.36Å; A256-A260 PolarHBondContact O-N 3.14Å; A256-V278 HydrophobicContact CB-CG2 3.84Å; A256-R291 PolarHBondContact O-NH1 3.27Å |
| 257 | N | 98.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.2 | -40.8 | 178.6 | -72.2 | -0.4 | 0 | 0 | 0 | 111.9 | D54 Y233 V253 L254 A259 A260 C261 | D54-N257 PolarHBondContact OD2-ND2 2.85Å; D54-N257 PolarHBondContact OD2-OD1 2.9Å; Y233-N257 HydrophobicContact CD1-CB 4.45Å; Y233-N257 HydrophobicContact CD2-CB 4.09Å; Y233-N257 HydrophobicContact CE1-CB 4.03Å; Y233-N257 HydrophobicContact CE2-CB 3.64Å; Y233-N257 HydrophobicContact CG-CB 4.48Å; V253-N257 PolarHBondContact O-N 3.47Å; L254-N257 PolarHBondContact O-N 3.3Å; N257-A259 VanDerWaalsContact C-N 3.31Å; N257-A259 PolarHBondContact O-N 3.3Å; N257-A260 VanDerWaalsContact O-CB 3.26Å; N257-A260 WeakPolarHBondContact O-CB 3.34Å; N257-A260 PolarHBondContact O-N 3.19Å; N257-C261 PolarHBondContact O-N 2.82Å; N257-C261 VanDerWaalsContact O-N 3.17Å |
| 258 | L | 98.5 | Very high | 97 | Very high | 20 Ų | 20 | 27.3 Ų | 27.3 | 11% | 0.105 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -40.2 | 174.7 | -178.4 | 60.9 | 0 | 0 | 0 | 111.8 | A230 Y233 L237 L254 H255 A260 C261 Q262 | A230-L258 HydrophobicContact CB-CD1 3.83Å; Y233-L258 HydrophobicContact CD2-CB 4.49Å; L237-L258 HydrophobicContact CD1-CD2 3.83Å; L254-L258 WeakPolarHBondContact O-CB 3.46Å; L254-L258 PolarHBondContact O-N 3.32Å; H255-L258 PolarHBondContact O-N 3.09Å; L258-A260 VanDerWaalsContact C-N 3.25Å; L258-A260 PolarHBondContact O-N 3.4Å; L258-C261 WeakPolarHBondContact O-CB 3.35Å; L258-C261 PolarHBondContact O-N 3.23Å; L258-Q262 HydrophobicContact CD1-CG 4.32Å; L258-Q262 HydrophobicContact CG-CG 4.35Å; L258-Q262 WeakPolarHBondContact O-CB 3.45Å; L258-Q262 VanDerWaalsContact O-CG 3.3Å; L258-Q262 WeakPolarHBondContact O-CG 3.3Å; L258-Q262 PolarHBondContact O-N 2.75Å; L258-Q262 PolarHBondContact O-OE1 3.4Å |
| 259 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.6 | -35.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H255 A256 N257 Q262 L263 C275 | H255-A259 WeakPolarHBondContact O-CB 3.18Å; H255-A259 PolarHBondContact O-N 3.31Å; A256-A259 PolarHBondContact O-N 3.36Å; N257-A259 VanDerWaalsContact C-N 3.31Å; N257-A259 PolarHBondContact O-N 3.3Å; A259-Q262 PolarHBondContact O-N 3.4Å; A259-L263 WeakPolarHBondContact O-CG 3.1Å; A259-L263 PolarHBondContact O-N 2.97Å; A259-L263 VanDerWaalsContact O-N 3.11Å; A259-C275 VanDerWaalsContact CB-SG 3.54Å |
| 260 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L60 F221 A256 N257 L258 Q262 L263 L264 | L60-A260 HydrophobicContact CD1-CB 4.25Å; F221-A260 HydrophobicContact CE2-CB 4.09Å; F221-A260 HydrophobicContact CZ-CB 4.12Å; A256-A260 PolarHBondContact O-N 3.14Å; N257-A260 VanDerWaalsContact O-CB 3.26Å; N257-A260 WeakPolarHBondContact O-CB 3.34Å; N257-A260 PolarHBondContact O-N 3.19Å; L258-A260 VanDerWaalsContact C-N 3.25Å; L258-A260 PolarHBondContact O-N 3.4Å; A260-Q262 PolarHBondContact O-N 3.48Å; A260-L263 PolarHBondContact O-N 2.69Å; A260-L264 WeakPolarHBondContact O-CG 3.5Å; A260-L264 PolarHBondContact O-N 3.47Å |
| 261 | C | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | F221 P226 A230 Y233 N257 L258 L263 L264 L265 | F221-C261 VanDerWaalsContact CD2-SG 3.53Å; P226-C261 HydrophobicContact CB-CB 4.46Å; A230-C261 HydrophobicContact CB-CB 3.86Å; Y233-C261 VanDerWaalsContact CE2-SG 3.6Å; N257-C261 PolarHBondContact O-N 2.82Å; N257-C261 VanDerWaalsContact O-N 3.17Å; L258-C261 WeakPolarHBondContact O-CB 3.35Å; L258-C261 PolarHBondContact O-N 3.23Å; C261-L263 VanDerWaalsContact C-N 3.28Å; C261-L263 PolarHBondContact O-N 3.05Å; C261-L264 WeakPolarHBondContact O-CB 3.44Å; C261-L264 PolarHBondContact O-N 3.5Å; C261-L265 WeakPolarHBondContact O-CB 3.45Å; C261-L265 WeakPolarHBondContact O-CG 3.42Å; C261-L265 PolarHBondContact O-N 3.47Å |
| 262 | Q | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -35.8 | -177.3 | -73.7 | 164.6 | -24.1 | 0 | 0 | 112.7 | L258 A259 A260 L265 G266 Q267 L270 A271 S274 | L258-Q262 HydrophobicContact CD1-CG 4.32Å; L258-Q262 HydrophobicContact CG-CG 4.35Å; L258-Q262 WeakPolarHBondContact O-CB 3.45Å; L258-Q262 VanDerWaalsContact O-CG 3.3Å; L258-Q262 WeakPolarHBondContact O-CG 3.3Å; L258-Q262 PolarHBondContact O-N 2.75Å; L258-Q262 PolarHBondContact O-OE1 3.4Å; A259-Q262 PolarHBondContact O-N 3.4Å; A260-Q262 PolarHBondContact O-N 3.48Å; Q262-L265 PolarHBondContact O-N 3.34Å; Q262-G266 PolarHBondContact O-N 3.2Å; Q262-Q267 HydrophobicContact CB-CB 4.24Å; Q262-Q267 WeakPolarHBondContact O-CA 3.49Å; Q262-Q267 WeakPolarHBondContact O-CB 3.47Å; Q262-Q267 PolarHBondContact O-N 3.48Å; Q262-L270 HydrophobicContact CG-CB 4.15Å; Q262-L270 PolarHBondContact OE1-O 3.24Å; Q262-L270 VanDerWaalsContact OE1-O 3.05Å; Q262-A271 HydrophobicContact CB-CB 3.79Å; Q262-A271 VanDerWaalsContact OE1-CA 3.3Å; Q262-S274 PolarHBondContact NE2-OG 3.48Å; Q262-S274 PolarHBondContact OE1-OG 3.42Å |
| 263 | L | 98.4 | Very high | 98.2 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 172.1 | -74.6 | 176.3 | 0 | 0 | 0 | 112.3 | L60 A259 A260 C261 L265 G266 A271 R291 V294 A295 | L60-L263 HydrophobicContact CD2-CD1 4.37Å; A259-L263 WeakPolarHBondContact O-CG 3.1Å; A259-L263 PolarHBondContact O-N 2.97Å; A259-L263 VanDerWaalsContact O-N 3.11Å; A260-L263 PolarHBondContact O-N 2.69Å; C261-L263 VanDerWaalsContact C-N 3.28Å; C261-L263 PolarHBondContact O-N 3.05Å; L263-L265 PolarHBondContact O-N 3.49Å; L263-G266 PolarHBondContact O-N 3.34Å; L263-G266 VanDerWaalsContact O-N 3.17Å; L263-A271 HydrophobicContact CD2-CB 3.77Å; L263-A271 HydrophobicContact CG-CB 3.77Å; L263-R291 HydrophobicContact CD1-CB 3.71Å; L263-R291 HydrophobicContact CD1-CG 3.82Å; L263-V294 HydrophobicContact CD1-CB 4.42Å; L263-V294 HydrophobicContact CD1-CG1 4.35Å; L263-V294 HydrophobicContact CD2-CG1 4.12Å; L263-A295 HydrophobicContact CD2-CB 3.95Å |
| 264 | L | 97.6 | Very high | 98.3 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 28% | 0.283 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63 | -32.2 | 176.8 | -65.4 | 179.4 | 0 | 0 | 0 | 112.4 | L60 T63 F221 P226 A260 C261 G266 | L60-L264 HydrophobicContact CD1-CD1 4.3Å; L60-L264 HydrophobicContact CD1-CD2 3.83Å; L60-L264 HydrophobicContact CD1-CG 3.86Å; L60-L264 HydrophobicContact CG-CD2 4.14Å; T63-L264 HydrophobicContact CG2-CD2 3.7Å; F221-L264 HydrophobicContact CE2-CD1 3.52Å; F221-L264 HydrophobicContact CZ-CD1 3.63Å; P226-L264 HydrophobicContact CB-CB 4.11Å; P226-L264 HydrophobicContact CB-CD1 4.05Å; P226-L264 HydrophobicContact CG-CB 4.29Å; A260-L264 WeakPolarHBondContact O-CG 3.5Å; A260-L264 PolarHBondContact O-N 3.47Å; C261-L264 WeakPolarHBondContact O-CB 3.44Å; C261-L264 PolarHBondContact O-N 3.5Å; L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 3.11Å |
| 265 | L | 97.2 | Very high | 98.3 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 5.3 | 179.1 | -62.4 | 174.1 | 0 | 0 | 0 | 113.7 | P226 E227 A230 C261 Q262 L263 Q267 | P226-L265 HydrophobicContact CB-CD2 4.18Å; P226-L265 HydrophobicContact CB-CG 4.3Å; P226-L265 HydrophobicContact CG-CD2 3.9Å; P226-L265 HydrophobicContact CG-CG 4.49Å; E227-L265 HydrophobicContact CB-CD2 4.45Å; E227-L265 HydrophobicContact CG-CD2 3.5Å; E227-L265 WeakPolarHBondContact OE1-CD2 3.49Å; A230-L265 HydrophobicContact CB-CD1 4.24Å; C261-L265 WeakPolarHBondContact O-CB 3.45Å; C261-L265 WeakPolarHBondContact O-CG 3.42Å; C261-L265 PolarHBondContact O-N 3.47Å; Q262-L265 PolarHBondContact O-N 3.34Å; L263-L265 PolarHBondContact O-N 3.49Å; L265-Q267 VanDerWaalsContact C-N 3.33Å; L265-Q267 HydrophobicContact CB-CG 4.18Å; L265-Q267 PolarHBondContact O-N 2.89Å |
| 266 | G | 97.5 | Very high | 98.4 | Very high | 60 Ų | 60 | 33 Ų | 33 | 62% | 0.619 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 31.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q262 L263 L264 P268 | Q262-G266 PolarHBondContact O-N 3.2Å; L263-G266 PolarHBondContact O-N 3.34Å; L263-G266 VanDerWaalsContact O-N 3.17Å; L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 3.11Å; G266-P268 WeakPolarHBondContact O-CD 3.47Å |
| 267 | Q | 98.3 | Very high | 98.3 | Very high | 72 Ų | 72 | 39.3 Ų | 39.3 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | trans | -112.5 | 64.8 | -177.8 | -61.3 | 169.2 | 23.5 | 0 | 0 | 111.6 | Q262 L265 Q269 L270 A271 | Q262-Q267 HydrophobicContact CB-CB 4.24Å; Q262-Q267 WeakPolarHBondContact O-CA 3.49Å; Q262-Q267 WeakPolarHBondContact O-CB 3.47Å; Q262-Q267 PolarHBondContact O-N 3.48Å; L265-Q267 VanDerWaalsContact C-N 3.33Å; L265-Q267 HydrophobicContact CB-CG 4.18Å; L265-Q267 PolarHBondContact O-N 2.89Å; Q267-Q269 VanDerWaalsContact C-N 3.35Å; Q267-Q269 PolarHBondContact O-N 3.29Å; Q267-L270 HydrophobicContact CB-CB 4.3Å; Q267-L270 HydrophobicContact CB-CD1 4.26Å; Q267-L270 PolarHBondContact O-N 3.05Å; Q267-A271 PolarHBondContact O-N 3.35Å | ||
| 268 | P | 98 | Very high | 98.3 | Very high | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -32.9 | -170.9 | 26.7 | -34.8 | 0 | 0 | 0 | 113.4 | G266 L270 A271 A272 A295 A298 L299 | G266-P268 WeakPolarHBondContact O-CD 3.47Å; P268-L270 VanDerWaalsContact C-N 3.35Å; P268-L270 PolarHBondContact O-N 2.9Å; P268-A271 PolarHBondContact O-N 3.41Å; P268-A272 WeakPolarHBondContact O-CB 3.48Å; P268-A272 PolarHBondContact O-N 3.46Å; P268-A295 HydrophobicContact CB-CB 4.31Å; P268-A295 WeakPolarHBondContact O-CB 3.2Å; P268-A298 HydrophobicContact CB-CB 3.84Å; P268-A298 HydrophobicContact CG-CB 4.12Å; P268-L299 HydrophobicContact CB-CD2 4.03Å; P268-L299 HydrophobicContact CB-CG 4.1Å; P268-L299 HydrophobicContact CG-CD2 3.81Å; P268-L299 HydrophobicContact CG-CG 4.37Å |
| 269 | Q | 98.6 | Very high | 98.2 | Very high | 111 Ų | 111 | 38.9 Ų | 38.9 | 52% | 0.519 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.2 | -67.7 | 78.7 | 2.2 | 0 | 0 | 111.1 | Q267 A272 Q273 L299 | Q267-Q269 VanDerWaalsContact C-N 3.35Å; Q267-Q269 PolarHBondContact O-N 3.29Å; Q269-A272 PolarHBondContact O-N 2.85Å; Q269-Q273 WeakPolarHBondContact O-CG 3.49Å; Q269-Q273 PolarHBondContact O-N 2.95Å; Q269-L299 HydrophobicContact CB-CD2 4.4Å; Q269-L299 HydrophobicContact CG-CD1 4.48Å; Q269-L299 HydrophobicContact CG-CD2 3.46Å; Q269-L299 VanDerWaalsContact CG-CD2 3.46Å |
| 270 | L | 98.5 | Very high | 98.1 | Very high | 74 Ų | 74 | 45.2 Ų | 45.2 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.2 | -39.8 | 179.3 | -65.1 | 177 | 0 | 0 | 0 | 111.2 | Q262 Q267 P268 A272 Q273 S274 | Q262-L270 HydrophobicContact CG-CB 4.15Å; Q262-L270 PolarHBondContact OE1-O 3.24Å; Q262-L270 VanDerWaalsContact OE1-O 3.05Å; Q267-L270 HydrophobicContact CB-CB 4.3Å; Q267-L270 HydrophobicContact CB-CD1 4.26Å; Q267-L270 PolarHBondContact O-N 3.05Å; P268-L270 VanDerWaalsContact C-N 3.35Å; P268-L270 PolarHBondContact O-N 2.9Å; L270-A272 VanDerWaalsContact C-N 3.32Å; L270-A272 PolarHBondContact O-N 3.44Å; L270-Q273 PolarHBondContact O-N 3.18Å; L270-S274 PolarHBondContact O-N 3.41Å; L270-S274 PolarHBondContact O-OG 2.94Å |
| 271 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q262 L263 Q267 P268 S274 C275 A295 | Q262-A271 HydrophobicContact CB-CB 3.79Å; Q262-A271 VanDerWaalsContact OE1-CA 3.3Å; L263-A271 HydrophobicContact CD2-CB 3.77Å; L263-A271 HydrophobicContact CG-CB 3.77Å; Q267-A271 PolarHBondContact O-N 3.35Å; P268-A271 PolarHBondContact O-N 3.41Å; A271-S274 PolarHBondContact O-N 3.18Å; A271-C275 PolarHBondContact O-N 3.48Å; A271-C275 PolarHBondContact O-SG 3.25Å; A271-A295 HydrophobicContact CB-CB 4.15Å |
| 272 | A | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P268 Q269 L270 S274 C275 D276 R292 A295 L299 | P268-A272 WeakPolarHBondContact O-CB 3.48Å; P268-A272 PolarHBondContact O-N 3.46Å; Q269-A272 PolarHBondContact O-N 2.85Å; L270-A272 VanDerWaalsContact C-N 3.32Å; L270-A272 PolarHBondContact O-N 3.44Å; A272-S274 PolarHBondContact O-N 3.24Å; A272-C275 WeakPolarHBondContact O-CB 3.05Å; A272-C275 PolarHBondContact O-N 3.04Å; A272-D276 VanDerWaalsContact O-CG 3.29Å; A272-D276 PolarHBondContact O-N 3.18Å; A272-R292 HydrophobicContact CB-CG 4.41Å; A272-A295 HydrophobicContact CB-CB 4.07Å; A272-L299 HydrophobicContact CB-CD1 4.47Å |
| 273 | Q | 98.6 | Very high | 97.6 | Very high | 117 Ų | 117 | 57.2 Ų | 57.2 | 55% | 0.547 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62 | -43 | 177.3 | -68.5 | 172.6 | 9 | 0 | 0 | 112.2 | Q269 L270 C275 D276 R277 | Q269-Q273 WeakPolarHBondContact O-CG 3.49Å; Q269-Q273 PolarHBondContact O-N 2.95Å; L270-Q273 PolarHBondContact O-N 3.18Å; Q273-C275 VanDerWaalsContact C-N 3.32Å; Q273-C275 PolarHBondContact O-N 2.92Å; Q273-D276 WeakPolarHBondContact O-CB 3.35Å; Q273-D276 PolarHBondContact O-N 2.88Å; Q273-R277 PolarHBondContact O-N 3.01Å |
| 274 | S | 98.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 174.8 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | Q262 L270 A271 A272 R277 V278 | Q262-S274 PolarHBondContact NE2-OG 3.48Å; Q262-S274 PolarHBondContact OE1-OG 3.42Å; L270-S274 PolarHBondContact O-N 3.41Å; L270-S274 PolarHBondContact O-OG 2.94Å; A271-S274 PolarHBondContact O-N 3.18Å; A272-S274 PolarHBondContact O-N 3.24Å; S274-R277 PolarHBondContact O-N 2.87Å; S274-V278 PolarHBondContact O-N 3.36Å |
| 275 | C | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 174.8 | -66.5 | 0 | 0 | 0 | 0 | 112.5 | A259 A271 A272 Q273 R277 V278 L279 A288 R292 | A259-C275 VanDerWaalsContact CB-SG 3.54Å; A271-C275 PolarHBondContact O-N 3.48Å; A271-C275 PolarHBondContact O-SG 3.25Å; A272-C275 WeakPolarHBondContact O-CB 3.05Å; A272-C275 PolarHBondContact O-N 3.04Å; Q273-C275 VanDerWaalsContact C-N 3.32Å; Q273-C275 PolarHBondContact O-N 2.92Å; C275-R277 VanDerWaalsContact C-N 3.3Å; C275-R277 PolarHBondContact O-N 3.26Å; C275-V278 WeakPolarHBondContact O-CB 3.26Å; C275-V278 PolarHBondContact O-N 3Å; C275-V278 VanDerWaalsContact O-N 3.09Å; C275-L279 VanDerWaalsContact O-CG 3.3Å; C275-L279 WeakPolarHBondContact O-CG 3.48Å; C275-L279 PolarHBondContact O-N 3.22Å; C275-A288 HydrophobicContact CB-CB 4.42Å; C275-R292 HydrophobicContact CB-CB 3.67Å; C275-R292 HydrophobicContact CB-CG 4.1Å |
| 276 | D | 98.7 | Very high | 97.4 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 176.2 | -69.7 | -28.2 | 0 | 0 | 0 | 111 | A272 Q273 V278 L279 E280 R292 | A272-D276 VanDerWaalsContact O-CG 3.29Å; A272-D276 PolarHBondContact O-N 3.18Å; Q273-D276 WeakPolarHBondContact O-CB 3.35Å; Q273-D276 PolarHBondContact O-N 2.88Å; D276-V278 VanDerWaalsContact C-N 3.28Å; D276-V278 PolarHBondContact O-N 3.42Å; D276-L279 PolarHBondContact O-N 2.85Å; D276-E280 WeakPolarHBondContact O-CG 3.4Å; D276-E280 PolarHBondContact O-N 3.48Å; D276-R292 WeakPolarHBondContact OD1-CD 3.34Å; D276-R292 IonicContact OD1-CZ 3.4Å; D276-R292 IonicContact OD1-NE 2.72Å; D276-R292 IonicContact OD1-NH1 2.85Å; D276-R292 PolarHBondContact OD1-NH1 3.25Å |
| 277 | R | 96.9 | Very high | 97.3 | Very high | 139 Ų | 139 | 59.5 Ų | 59.5 | 53% | 0.525 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -35.2 | 173.9 | -63.9 | -57.3 | -168.5 | 174.8 | 2.1 | 113.6 | H255 Q273 S274 C275 E280 | H255-R277 HydrophobicContact CB-CB 4.23Å; Q273-R277 PolarHBondContact O-N 3.01Å; S274-R277 PolarHBondContact O-N 2.87Å; C275-R277 VanDerWaalsContact C-N 3.3Å; C275-R277 PolarHBondContact O-N 3.26Å; R277-E280 WeakPolarHBondContact CD-OE2 3.19Å; R277-E280 IonicContact NH1-OE1 3.51Å; R277-E280 IonicContact NH1-OE2 3.69Å; R277-E280 PolarHBondContact NH1-OE2 3.16Å |
| 278 | V | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.2 | -47.7 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | T252 H255 A256 S274 C275 D276 E280 R281 E282 H285 A288 | T252-V278 HydrophobicContact CG2-CB 4.37Å; T252-V278 HydrophobicContact CG2-CG1 3.83Å; T252-V278 HydrophobicContact CG2-CG2 4.43Å; H255-V278 HydrophobicContact CB-CG2 3.66Å; A256-V278 HydrophobicContact CB-CG2 3.84Å; S274-V278 PolarHBondContact O-N 3.36Å; C275-V278 WeakPolarHBondContact O-CB 3.26Å; C275-V278 PolarHBondContact O-N 3Å; C275-V278 VanDerWaalsContact O-N 3.09Å; D276-V278 VanDerWaalsContact C-N 3.28Å; D276-V278 PolarHBondContact O-N 3.42Å; V278-E280 VanDerWaalsContact C-N 3.33Å; V278-E280 PolarHBondContact O-N 3.4Å; V278-R281 PolarHBondContact O-N 2.95Å; V278-R281 VanDerWaalsContact O-N 3.14Å; V278-E282 PolarHBondContact O-N 3.48Å; V278-H285 HydrophobicContact CG1-CB 3.83Å; V278-H285 WeakPolarHBondContact CG1-CD2 3.3Å; V278-A288 HydrophobicContact CB-CB 3.82Å; V278-A288 HydrophobicContact CG1-CB 3.56Å |
| 279 | L | 97.9 | Very high | 97.4 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.8 | -22.8 | -175.2 | -64.4 | 170.2 | 0 | 0 | 0 | 113.4 | C275 D276 R281 P283 H285 A288 L289 | C275-L279 VanDerWaalsContact O-CG 3.3Å; C275-L279 WeakPolarHBondContact O-CG 3.48Å; C275-L279 PolarHBondContact O-N 3.22Å; D276-L279 PolarHBondContact O-N 2.85Å; L279-R281 VanDerWaalsContact C-N 3.26Å; L279-R281 PolarHBondContact O-N 2.94Å; L279-P283 WeakPolarHBondContact O-CA 3.49Å; L279-P283 WeakPolarHBondContact O-CG 3.37Å; L279-H285 HydrophobicContact CD2-CB 4.29Å; L279-A288 HydrophobicContact CD2-CB 3.91Å; L279-A288 HydrophobicContact CG-CB 3.97Å; L279-L289 HydrophobicContact CD1-CD2 4.02Å; L279-L289 HydrophobicContact CD2-CD2 3.85Å; L279-L289 HydrophobicContact CD2-CG 3.77Å |
| 280 | E | 95.5 | Very high | 97.4 | Very high | 133 Ų | 133 | 52.1 Ų | 52.1 | 62% | 0.621 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.5 | -38.6 | 168 | -81.5 | 172.7 | -177.4 | 0 | 0 | 111.5 | D276 R277 V278 | D276-E280 WeakPolarHBondContact O-CG 3.4Å; D276-E280 PolarHBondContact O-N 3.48Å; R277-E280 WeakPolarHBondContact CD-OE2 3.19Å; R277-E280 IonicContact NH1-OE1 3.51Å; R277-E280 IonicContact NH1-OE2 3.69Å; R277-E280 PolarHBondContact NH1-OE2 3.16Å; V278-E280 VanDerWaalsContact C-N 3.33Å; V278-E280 PolarHBondContact O-N 3.4Å |
| 281 | R | 94.1 | Very high | 97.4 | Very high | 94 Ų | 94 | 49.1 Ų | 49.1 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -95 | -35.5 | -178.8 | -171.9 | 150 | 173.8 | -76.2 | -5.2 | 112.7 | T252 V278 L279 | T252-R281 VanDerWaalsContact OG1-CD 3.29Å; T252-R281 WeakPolarHBondContact OG1-CD 3.12Å; T252-R281 PolarHBondContact OG1-NH1 3.4Å; V278-R281 PolarHBondContact O-N 2.95Å; V278-R281 VanDerWaalsContact O-N 3.14Å; L279-R281 VanDerWaalsContact C-N 3.26Å; L279-R281 PolarHBondContact O-N 2.94Å |
| 282 | E | 95.8 | Very high | 97.4 | Very high | 77 Ų | 77 | 51.2 Ų | 51.2 | 36% | 0.36 | 25% | 0.252 | S | S | . | . | trans | -132.1 | 80.4 | -176.8 | -65.1 | 175.5 | -155.4 | 0 | 0 | 110.1 | T252 V278 G284 H285 | T252-E282 HydrophobicContact CG2-CG 4.39Å; V278-E282 PolarHBondContact O-N 3.48Å; E282-G284 PolarHBondContact O-N 2.98Å; E282-H285 HydrophobicContact CB-CB 3.91Å; E282-H285 VanDerWaalsContact O-CB 3.26Å; E282-H285 WeakPolarHBondContact O-CB 3.2Å; E282-H285 PolarHBondContact O-N 3.24Å; E282-H285 IonicContact OE2-CD2 3.75Å; E282-H285 PolarHBondContact OE2-CD2 3.37Å | ||
| 283 | P | 96 | Very high | 97.4 | Very high | 98 Ų | 98 | 51 Ų | 51 | 64% | 0.636 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.1 | -174.8 | -26.4 | 34.6 | 0 | 0 | 0 | 115 | L279 | L279-P283 WeakPolarHBondContact O-CA 3.49Å; L279-P283 WeakPolarHBondContact O-CG 3.37Å |
| 284 | G | 94.1 | Very high | 97.4 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 50% | 0.495 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 9.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E282 L286 | E282-G284 PolarHBondContact O-N 2.98Å; G284-L286 PolarHBondContact O-N 3.46Å |
| 285 | H | 97 | Very high | 97.4 | Very high | 43 Ų | 43 | 46.2 Ų | 46.2 | 20% | 0.199 | 23% | 0.228 | C | C | . | . | trans | -65.8 | 98.9 | -176.9 | -170.9 | -47.7 | 0 | 0 | 0 | 111.1 | V278 L279 E282 K287 A288 L289 | V278-H285 HydrophobicContact CG1-CB 3.83Å; V278-H285 WeakPolarHBondContact CG1-CD2 3.3Å; L279-H285 HydrophobicContact CD2-CB 4.29Å; E282-H285 HydrophobicContact CB-CB 3.91Å; E282-H285 VanDerWaalsContact O-CB 3.26Å; E282-H285 WeakPolarHBondContact O-CB 3.2Å; E282-H285 PolarHBondContact O-N 3.24Å; E282-H285 IonicContact OE2-CD2 3.75Å; E282-H285 PolarHBondContact OE2-CD2 3.37Å; H285-K287 PolarHBondContact ND1-N 2.86Å; H285-K287 PolarHBondContact O-N 2.98Å; H285-A288 HydrophobicContact CB-CB 4.1Å; H285-A288 PolarHBondContact ND1-N 2.91Å; H285-A288 PolarHBondContact O-N 2.82Å; H285-L289 PolarHBondContact O-N 3.32Å | ||
| 286 | L | 97.1 | Very high | 97.4 | Very high | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.335 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -46.5 | -52.4 | -174.9 | -85.4 | 170.8 | 0 | 0 | 0 | 114 | G284 A288 L289 Y290 V312 I315 D316 | G284-L286 PolarHBondContact O-N 3.46Å; L286-A288 VanDerWaalsContact C-N 3.35Å; L286-A288 PolarHBondContact O-N 3.44Å; L286-L289 PolarHBondContact O-N 3.41Å; L286-Y290 PolarHBondContact O-N 3.13Å; L286-V312 HydrophobicContact CD2-CG1 4.22Å; L286-I315 HydrophobicContact CD1-CG2 3.93Å; L286-I315 HydrophobicContact CD2-CB 3.66Å; L286-I315 HydrophobicContact CD2-CD1 4.03Å; L286-I315 HydrophobicContact CD2-CG1 4.46Å; L286-I315 HydrophobicContact CD2-CG2 3.57Å; L286-I315 HydrophobicContact CG-CB 4.47Å; L286-I315 HydrophobicContact CG-CG2 3.88Å; L286-D316 HydrophobicContact CD2-CB 4.49Å |
| 287 | K | 96.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 44.6 Ų | 44.6 | 33% | 0.326 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.5 | -34.6 | -178.2 | -54.2 | 175.7 | -175.2 | 163.9 | 0 | 112.9 | S57 H285 R291 | S57-K287 WeakPolarHBondContact OG-CE 3.44Å; S57-K287 PolarHBondContact OG-NZ 3.48Å; H285-K287 PolarHBondContact ND1-N 2.86Å; H285-K287 PolarHBondContact O-N 2.98Å; K287-R291 WeakPolarHBondContact O-CB 3.08Å; K287-R291 WeakPolarHBondContact O-CD 3.42Å; K287-R291 WeakPolarHBondContact O-CG 3.08Å; K287-R291 PolarHBondContact O-N 3.45Å |
| 288 | A | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.3 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | C275 V278 L279 H285 L286 R292 | C275-A288 HydrophobicContact CB-CB 4.42Å; V278-A288 HydrophobicContact CB-CB 3.82Å; V278-A288 HydrophobicContact CG1-CB 3.56Å; L279-A288 HydrophobicContact CD2-CB 3.91Å; L279-A288 HydrophobicContact CG-CB 3.97Å; H285-A288 HydrophobicContact CB-CB 4.1Å; H285-A288 PolarHBondContact ND1-N 2.91Å; H285-A288 PolarHBondContact O-N 2.82Å; L286-A288 VanDerWaalsContact C-N 3.35Å; L286-A288 PolarHBondContact O-N 3.44Å; A288-R292 WeakPolarHBondContact O-CB 3.44Å; A288-R292 PolarHBondContact O-N 3.26Å |
| 289 | L | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | 170.8 | -72.3 | 170.5 | 0 | 0 | 0 | 111.3 | L279 H285 L286 R292 G293 K311 V312 I315 | L279-L289 HydrophobicContact CD1-CD2 4.02Å; L279-L289 HydrophobicContact CD2-CD2 3.85Å; L279-L289 HydrophobicContact CD2-CG 3.77Å; H285-L289 PolarHBondContact O-N 3.32Å; L286-L289 PolarHBondContact O-N 3.41Å; L289-R292 PolarHBondContact O-N 2.71Å; L289-G293 PolarHBondContact O-N 3.4Å; L289-K311 HydrophobicContact CD1-CB 4.01Å; L289-K311 HydrophobicContact CD2-CB 4.43Å; L289-K311 HydrophobicContact CD2-CD 4Å; L289-V312 HydrophobicContact CB-CG2 3.59Å; L289-I315 HydrophobicContact CD1-CD1 4.08Å |
| 290 | Y | 98.7 | Very high | 97.2 | Very high | 41 Ų | 41 | 44.1 Ų | 44.1 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -52.6 | 178 | 174.3 | -102.7 | 0 | 0 | 0 | 111.9 | L286 R292 G293 V294 L309 A321 A322 E325 | L286-Y290 PolarHBondContact O-N 3.13Å; Y290-R292 VanDerWaalsContact C-N 3.34Å; Y290-R292 PolarHBondContact O-N 2.72Å; Y290-G293 WeakPolarHBondContact O-CA 3.43Å; Y290-G293 PolarHBondContact O-N 3.07Å; Y290-G293 VanDerWaalsContact O-N 3.08Å; Y290-V294 HydrophobicContact CD1-CG2 4.36Å; Y290-V294 HydrophobicContact CD2-CG2 4.49Å; Y290-V294 HydrophobicContact CE1-CG2 3.89Å; Y290-V294 HydrophobicContact CE2-CG2 4.03Å; Y290-V294 WeakPolarHBondContact O-CG2 3.24Å; Y290-V294 PolarHBondContact O-N 2.8Å; Y290-L309 HydrophobicContact CD2-CD2 3.89Å; Y290-L309 HydrophobicContact CE2-CD2 4.28Å; Y290-A321 HydrophobicContact CE2-CB 3.94Å; Y290-A322 HydrophobicContact CD2-CB 4.1Å; Y290-A322 HydrophobicContact CE2-CB 4.41Å; Y290-E325 HydrophobicContact CE2-CB 4.34Å |
| 291 | R | 98.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.045 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -38.6 | -179 | -71.7 | 170.5 | -178 | 168.9 | -0.4 | 112 | A56 A256 L263 K287 V294 A295 | A56-R291 PolarHBondContact O-NH2 2.96Å; A256-R291 PolarHBondContact O-NH1 3.27Å; L263-R291 HydrophobicContact CD1-CB 3.71Å; L263-R291 HydrophobicContact CD1-CG 3.82Å; K287-R291 WeakPolarHBondContact O-CB 3.08Å; K287-R291 WeakPolarHBondContact O-CD 3.42Å; K287-R291 WeakPolarHBondContact O-CG 3.08Å; K287-R291 PolarHBondContact O-N 3.45Å; R291-V294 PolarHBondContact O-N 3.43Å; R291-A295 WeakPolarHBondContact O-CB 3.42Å; R291-A295 PolarHBondContact O-N 3.17Å |
| 292 | R | 98.7 | Very high | 97.5 | Very high | 44 Ų | 44 | 37.3 Ų | 37.3 | 17% | 0.166 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 173 | -163.5 | 173.3 | 69.8 | 179.7 | -1.5 | 111.2 | A272 C275 D276 A288 L289 Y290 V294 A295 Q296 D308 | A272-R292 HydrophobicContact CB-CG 4.41Å; C275-R292 HydrophobicContact CB-CB 3.67Å; C275-R292 HydrophobicContact CB-CG 4.1Å; D276-R292 WeakPolarHBondContact OD1-CD 3.34Å; D276-R292 IonicContact OD1-CZ 3.4Å; D276-R292 IonicContact OD1-NE 2.72Å; D276-R292 IonicContact OD1-NH1 2.85Å; D276-R292 PolarHBondContact OD1-NH1 3.25Å; A288-R292 WeakPolarHBondContact O-CB 3.44Å; A288-R292 PolarHBondContact O-N 3.26Å; L289-R292 PolarHBondContact O-N 2.71Å; Y290-R292 VanDerWaalsContact C-N 3.34Å; Y290-R292 PolarHBondContact O-N 2.72Å; R292-V294 PolarHBondContact O-N 2.72Å; R292-A295 WeakPolarHBondContact O-CB 3.39Å; R292-A295 PolarHBondContact O-N 3.13Å; R292-Q296 HydrophobicContact CG-CG 4.15Å; R292-Q296 WeakPolarHBondContact O-CB 3.38Å; R292-Q296 WeakPolarHBondContact O-CG 3.2Å; R292-Q296 PolarHBondContact O-N 2.79Å; R292-D308 IonicContact CZ-OD1 2.7Å; R292-D308 IonicContact CZ-OD2 3.64Å; R292-D308 IonicContact NE-OD1 3.77Å; R292-D308 IonicContact NE-OD2 2.8Å; R292-D308 PolarHBondContact NE-OD2 3.21Å; R292-D308 IonicContact NH2-OD1 3.28Å; R292-D308 PolarHBondContact NH2-OD1 3.03Å; R292-D308 IonicContact NH2-OD2 3.52Å; R292-D308 PolarHBondContact NH2-OD2 3.29Å |
| 293 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.8 | -50.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L289 Y290 A295 Q296 A297 A305 | L289-G293 PolarHBondContact O-N 3.4Å; Y290-G293 WeakPolarHBondContact O-CA 3.43Å; Y290-G293 PolarHBondContact O-N 3.07Å; Y290-G293 VanDerWaalsContact O-N 3.08Å; G293-A295 PolarHBondContact O-N 2.9Å; G293-Q296 PolarHBondContact O-N 3.16Å; G293-A297 PolarHBondContact O-N 3.08Å; G293-A305 WeakPolarHBondContact O-CB 3.49Å |
| 294 | V | 98.6 | Very high | 97.6 | Very high | 25 Ų | 25 | 43.2 Ų | 43.2 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 174.1 | 175.8 | 0 | 0 | 0 | 0 | 111 | L263 Y290 R291 R292 Q296 A297 A298 E325 | L263-V294 HydrophobicContact CD1-CB 4.42Å; L263-V294 HydrophobicContact CD1-CG1 4.35Å; L263-V294 HydrophobicContact CD2-CG1 4.12Å; Y290-V294 HydrophobicContact CD1-CG2 4.36Å; Y290-V294 HydrophobicContact CD2-CG2 4.49Å; Y290-V294 HydrophobicContact CE1-CG2 3.89Å; Y290-V294 HydrophobicContact CE2-CG2 4.03Å; Y290-V294 WeakPolarHBondContact O-CG2 3.24Å; Y290-V294 PolarHBondContact O-N 2.8Å; R291-V294 PolarHBondContact O-N 3.43Å; R292-V294 PolarHBondContact O-N 2.72Å; V294-Q296 PolarHBondContact O-N 3.13Å; V294-A297 WeakPolarHBondContact O-CB 3.47Å; V294-A297 PolarHBondContact O-N 3.46Å; V294-A298 PolarHBondContact O-N 3.34Å; V294-A298 VanDerWaalsContact O-N 3.07Å; V294-E325 HydrophobicContact CG2-CG 3.88Å |
| 295 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L263 P268 A271 A272 R291 R292 G293 A297 A298 L299 | L263-A295 HydrophobicContact CD2-CB 3.95Å; P268-A295 HydrophobicContact CB-CB 4.31Å; P268-A295 WeakPolarHBondContact O-CB 3.2Å; A271-A295 HydrophobicContact CB-CB 4.15Å; A272-A295 HydrophobicContact CB-CB 4.07Å; R291-A295 WeakPolarHBondContact O-CB 3.42Å; R291-A295 PolarHBondContact O-N 3.17Å; R292-A295 WeakPolarHBondContact O-CB 3.39Å; R292-A295 PolarHBondContact O-N 3.13Å; G293-A295 PolarHBondContact O-N 2.9Å; A295-A297 VanDerWaalsContact C-N 3.3Å; A295-A297 PolarHBondContact O-N 3.23Å; A295-A298 PolarHBondContact O-N 3.5Å; A295-L299 VanDerWaalsContact O-CG 3.24Å; A295-L299 WeakPolarHBondContact O-CG 3.49Å; A295-L299 PolarHBondContact O-N 3.33Å |
| 296 | Q | 98.7 | Very high | 97.9 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -34.8 | 180 | -66.7 | -65.4 | -7.7 | 0 | 0 | 112.1 | R292 G293 V294 L299 G300 N301 K304 A305 | R292-Q296 HydrophobicContact CG-CG 4.15Å; R292-Q296 WeakPolarHBondContact O-CB 3.38Å; R292-Q296 WeakPolarHBondContact O-CG 3.2Å; R292-Q296 PolarHBondContact O-N 2.79Å; G293-Q296 PolarHBondContact O-N 3.16Å; V294-Q296 PolarHBondContact O-N 3.13Å; Q296-L299 PolarHBondContact O-N 3.34Å; Q296-G300 PolarHBondContact O-N 2.99Å; Q296-N301 HydrophobicContact CB-CB 4.19Å; Q296-N301 WeakPolarHBondContact O-CA 3.35Å; Q296-N301 PolarHBondContact O-N 3.39Å; Q296-N301 VanDerWaalsContact OE1-CB 3.28Å; Q296-N301 PolarHBondContact OE1-ND2 2.94Å; Q296-K304 HydrophobicContact CB-CB 4.25Å; Q296-K304 HydrophobicContact CG-CB 4.08Å; Q296-A305 HydrophobicContact CB-CB 3.92Å |
| 297 | A | 97.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G293 V294 A295 L299 G300 A305 V329 | G293-A297 PolarHBondContact O-N 3.08Å; V294-A297 WeakPolarHBondContact O-CB 3.47Å; V294-A297 PolarHBondContact O-N 3.46Å; A295-A297 VanDerWaalsContact C-N 3.3Å; A295-A297 PolarHBondContact O-N 3.23Å; A297-L299 PolarHBondContact O-N 2.98Å; A297-G300 PolarHBondContact O-N 3.5Å; A297-A305 HydrophobicContact CB-CB 3.95Å; A297-V329 HydrophobicContact CB-CG2 3.56Å |
| 298 | A | 97.3 | Very high | 98 | Very high | 71 Ų | 71 | 36.3 Ų | 36.3 | 59% | 0.587 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -62.5 | -28.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | P268 V294 A295 G300 | P268-A298 HydrophobicContact CB-CB 3.84Å; P268-A298 HydrophobicContact CG-CB 4.12Å; V294-A298 PolarHBondContact O-N 3.34Å; V294-A298 VanDerWaalsContact O-N 3.07Å; A295-A298 PolarHBondContact O-N 3.5Å; A298-G300 VanDerWaalsContact C-N 3.29Å |
| 299 | L | 97.8 | Very high | 98 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -6.1 | 173.1 | -63 | 174.8 | 0 | 0 | 0 | 114.1 | P268 Q269 A272 A295 Q296 A297 N301 | P268-L299 HydrophobicContact CB-CD2 4.03Å; P268-L299 HydrophobicContact CB-CG 4.1Å; P268-L299 HydrophobicContact CG-CD2 3.81Å; P268-L299 HydrophobicContact CG-CG 4.37Å; Q269-L299 HydrophobicContact CB-CD2 4.4Å; Q269-L299 HydrophobicContact CG-CD1 4.48Å; Q269-L299 HydrophobicContact CG-CD2 3.46Å; Q269-L299 VanDerWaalsContact CG-CD2 3.46Å; A272-L299 HydrophobicContact CB-CD1 4.47Å; A295-L299 VanDerWaalsContact O-CG 3.24Å; A295-L299 WeakPolarHBondContact O-CG 3.49Å; A295-L299 PolarHBondContact O-N 3.33Å; Q296-L299 PolarHBondContact O-N 3.34Å; A297-L299 PolarHBondContact O-N 2.98Å; L299-N301 PolarHBondContact O-N 3.22Å |
| 300 | G | 95.4 | Very high | 98 | Very high | 29 Ų | 29 | 42.1 Ų | 42.1 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 6.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q296 A297 A298 L302 | Q296-G300 PolarHBondContact O-N 2.99Å; A297-G300 PolarHBondContact O-N 3.5Å; A298-G300 VanDerWaalsContact C-N 3.29Å; G300-L302 PolarHBondContact O-N 3.29Å |
| 301 | N | 97.3 | Very high | 97.9 | Very high | 67 Ų | 67 | 45.3 Ų | 45.3 | 36% | 0.358 | 24% | 0.241 | S | C | . | . | trans | -82.8 | 63.2 | 177.4 | -65.8 | -34.4 | 0 | 0 | 0 | 110.8 | Q296 L299 E303 K304 A305 | Q296-N301 HydrophobicContact CB-CB 4.19Å; Q296-N301 WeakPolarHBondContact O-CA 3.35Å; Q296-N301 PolarHBondContact O-N 3.39Å; Q296-N301 VanDerWaalsContact OE1-CB 3.28Å; Q296-N301 PolarHBondContact OE1-ND2 2.94Å; L299-N301 PolarHBondContact O-N 3.22Å; N301-E303 VanDerWaalsContact C-N 3.32Å; N301-E303 PolarHBondContact O-N 3.02Å; N301-K304 HydrophobicContact CB-CB 4.33Å; N301-K304 HydrophobicContact CB-CD 4.35Å; N301-K304 PolarHBondContact O-N 3.07Å; N301-K304 VanDerWaalsContact O-N 3.13Å; N301-A305 PolarHBondContact O-N 2.89Å | ||
| 302 | L | 97.3 | Very high | 97.9 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -32.6 | -166.8 | -54.3 | -172 | 0 | 0 | 0 | 114.2 | G300 A305 T306 V329 Q332 G333 | G300-L302 PolarHBondContact O-N 3.29Å; L302-A305 PolarHBondContact O-N 3.12Å; L302-T306 VanDerWaalsContact O-CB 3.3Å; L302-T306 WeakPolarHBondContact O-CB 3.18Å; L302-T306 PolarHBondContact O-N 3.25Å; L302-T306 PolarHBondContact O-OG1 2.92Å; L302-V329 HydrophobicContact CB-CG1 3.99Å; L302-V329 HydrophobicContact CD2-CG1 4.24Å; L302-Q332 HydrophobicContact CD1-CB 4.1Å; L302-Q332 HydrophobicContact CD1-CG 4.03Å; L302-Q332 HydrophobicContact CD2-CB 4.38Å; L302-Q332 HydrophobicContact CD2-CG 4.11Å; L302-Q332 VanDerWaalsContact CD2-OE1 3.31Å; L302-G333 VanDerWaalsContact CD1-N 3.27Å |
| 303 | E | 97 | Very high | 97.9 | Very high | 175 Ų | 175 | 44.3 Ų | 44.3 | 82% | 0.818 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.7 | -45.2 | 175.7 | -64.7 | -177.6 | 174 | 0 | 0 | 111.5 | N301 T306 A307 | N301-E303 VanDerWaalsContact C-N 3.32Å; N301-E303 PolarHBondContact O-N 3.02Å; E303-T306 PolarHBondContact O-N 3.36Å; E303-A307 WeakPolarHBondContact O-CB 3.45Å; E303-A307 PolarHBondContact O-N 3.45Å |
| 304 | K | 98 | Very high | 97.8 | Very high | 123 Ų | 123 | 48.2 Ų | 48.2 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 177 | -66 | -176.7 | -178.9 | 175.7 | 0 | 110.9 | Q296 N301 T306 A307 D308 | Q296-K304 HydrophobicContact CB-CB 4.25Å; Q296-K304 HydrophobicContact CG-CB 4.08Å; N301-K304 HydrophobicContact CB-CB 4.33Å; N301-K304 HydrophobicContact CB-CD 4.35Å; N301-K304 PolarHBondContact O-N 3.07Å; N301-K304 VanDerWaalsContact O-N 3.13Å; K304-T306 VanDerWaalsContact C-N 3.33Å; K304-T306 PolarHBondContact O-N 2.94Å; K304-A307 PolarHBondContact O-N 2.95Å; K304-D308 PolarHBondContact O-N 2.8Å |
| 305 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G293 Q296 A297 N301 L302 A307 D308 L309 V329 | G293-A305 WeakPolarHBondContact O-CB 3.49Å; Q296-A305 HydrophobicContact CB-CB 3.92Å; A297-A305 HydrophobicContact CB-CB 3.95Å; N301-A305 PolarHBondContact O-N 2.89Å; L302-A305 PolarHBondContact O-N 3.12Å; A305-A307 VanDerWaalsContact C-N 3.34Å; A305-A307 PolarHBondContact O-N 3.38Å; A305-D308 PolarHBondContact O-N 3.29Å; A305-L309 WeakPolarHBondContact O-CB 3.42Å; A305-L309 VanDerWaalsContact O-CG 3.27Å; A305-L309 WeakPolarHBondContact O-CG 3.32Å; A305-L309 PolarHBondContact O-N 3.19Å; A305-V329 HydrophobicContact CB-CG1 4.23Å; A305-V329 HydrophobicContact CB-CG2 4.06Å |
| 306 | T | 98.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 54 Ų | 54 | 19% | 0.19 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 177 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | L302 E303 K304 K310 L326 V329 | L302-T306 VanDerWaalsContact O-CB 3.3Å; L302-T306 WeakPolarHBondContact O-CB 3.18Å; L302-T306 PolarHBondContact O-N 3.25Å; L302-T306 PolarHBondContact O-OG1 2.92Å; E303-T306 PolarHBondContact O-N 3.36Å; K304-T306 VanDerWaalsContact C-N 3.33Å; K304-T306 PolarHBondContact O-N 2.94Å; T306-K310 HydrophobicContact CG2-CD 3.97Å; T306-K310 HydrophobicContact CG2-CG 4.38Å; T306-K310 VanDerWaalsContact O-CB 3.3Å; T306-K310 WeakPolarHBondContact O-CB 3.44Å; T306-K310 VanDerWaalsContact O-CG 3.27Å; T306-K310 WeakPolarHBondContact O-CG 3.3Å; T306-K310 PolarHBondContact O-N 3.42Å; T306-L326 HydrophobicContact CG2-CD1 3.97Å; T306-V329 WeakPolarHBondContact OG1-CG1 3.31Å |
| 307 | A | 98.2 | Very high | 97.3 | Very high | 48 Ų | 48 | 57.2 Ų | 57.2 | 40% | 0.397 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | E303 K304 A305 K311 | E303-A307 WeakPolarHBondContact O-CB 3.45Å; E303-A307 PolarHBondContact O-N 3.45Å; K304-A307 PolarHBondContact O-N 2.95Å; A305-A307 VanDerWaalsContact C-N 3.34Å; A305-A307 PolarHBondContact O-N 3.38Å; A307-K311 WeakPolarHBondContact O-CG 3.45Å; A307-K311 PolarHBondContact O-N 2.96Å |
| 308 | D | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.032 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.3 | -44.8 | 179.2 | -73.3 | -24.3 | 0 | 0 | 0 | 112.4 | R292 K304 A305 K310 K311 V312 | R292-D308 IonicContact CZ-OD1 2.7Å; R292-D308 IonicContact CZ-OD2 3.64Å; R292-D308 IonicContact NE-OD1 3.77Å; R292-D308 IonicContact NE-OD2 2.8Å; R292-D308 PolarHBondContact NE-OD2 3.21Å; R292-D308 IonicContact NH2-OD1 3.28Å; R292-D308 PolarHBondContact NH2-OD1 3.03Å; R292-D308 IonicContact NH2-OD2 3.52Å; R292-D308 PolarHBondContact NH2-OD2 3.29Å; K304-D308 PolarHBondContact O-N 2.8Å; A305-D308 PolarHBondContact O-N 3.29Å; D308-K310 VanDerWaalsContact C-N 3.32Å; D308-K310 PolarHBondContact O-N 3.14Å; D308-K311 WeakPolarHBondContact O-CB 3.48Å; D308-K311 PolarHBondContact O-N 3.48Å; D308-K311 VanDerWaalsContact O-N 3.07Å; D308-V312 PolarHBondContact O-N 2.97Å |
| 309 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.5 | -36 | 177.9 | -66.9 | 169.6 | 0 | 0 | 0 | 112 | Y290 A305 K311 V312 L313 A322 E325 L326 V329 | Y290-L309 HydrophobicContact CD2-CD2 3.89Å; Y290-L309 HydrophobicContact CE2-CD2 4.28Å; A305-L309 WeakPolarHBondContact O-CB 3.42Å; A305-L309 VanDerWaalsContact O-CG 3.27Å; A305-L309 WeakPolarHBondContact O-CG 3.32Å; A305-L309 PolarHBondContact O-N 3.19Å; L309-K311 VanDerWaalsContact C-N 3.33Å; L309-K311 PolarHBondContact O-N 3.32Å; L309-V312 WeakPolarHBondContact O-CB 3.48Å; L309-V312 PolarHBondContact O-N 3.42Å; L309-L313 WeakPolarHBondContact O-CG 3.35Å; L309-L313 PolarHBondContact O-N 3.22Å; L309-A322 HydrophobicContact CD2-CB 4.37Å; L309-E325 HydrophobicContact CD1-CB 4.07Å; L309-E325 HydrophobicContact CD1-CG 3.91Å; L309-E325 HydrophobicContact CD2-CB 4.15Å; L309-E325 HydrophobicContact CD2-CG 4.26Å; L309-L326 HydrophobicContact CB-CB 4.32Å; L309-L326 HydrophobicContact CB-CD1 4.33Å; L309-L326 HydrophobicContact CD1-CB 4.21Å; L309-L326 HydrophobicContact CD1-CD1 4.49Å; L309-V329 HydrophobicContact CD1-CG2 4.06Å |
| 310 | K | 98 | Very high | 96.9 | Very high | 128 Ų | 128 | 69.9 Ų | 69.9 | 56% | 0.557 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.2 | -36.1 | 171.8 | -78.3 | -179.8 | 176.9 | 178.6 | 0 | 112.5 | T306 D308 L313 A314 L326 | T306-K310 HydrophobicContact CG2-CD 3.97Å; T306-K310 HydrophobicContact CG2-CG 4.38Å; T306-K310 VanDerWaalsContact O-CB 3.3Å; T306-K310 WeakPolarHBondContact O-CB 3.44Å; T306-K310 VanDerWaalsContact O-CG 3.27Å; T306-K310 WeakPolarHBondContact O-CG 3.3Å; T306-K310 PolarHBondContact O-N 3.42Å; D308-K310 VanDerWaalsContact C-N 3.32Å; D308-K310 PolarHBondContact O-N 3.14Å; K310-L313 PolarHBondContact O-N 2.9Å; K310-A314 WeakPolarHBondContact O-CB 3.46Å; K310-A314 PolarHBondContact O-N 3.4Å; K310-L326 HydrophobicContact CG-CD2 4.36Å |
| 311 | K | 98.1 | Very high | 96.8 | Very high | 108 Ų | 108 | 69.4 Ų | 69.4 | 47% | 0.47 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 173.3 | -71.3 | 171.7 | -179 | 174.5 | 0 | 111.5 | L289 A307 D308 L309 A314 I315 | L289-K311 HydrophobicContact CD1-CB 4.01Å; L289-K311 HydrophobicContact CD2-CB 4.43Å; L289-K311 HydrophobicContact CD2-CD 4Å; A307-K311 WeakPolarHBondContact O-CG 3.45Å; A307-K311 PolarHBondContact O-N 2.96Å; D308-K311 WeakPolarHBondContact O-CB 3.48Å; D308-K311 PolarHBondContact O-N 3.48Å; D308-K311 VanDerWaalsContact O-N 3.07Å; L309-K311 VanDerWaalsContact C-N 3.33Å; L309-K311 PolarHBondContact O-N 3.32Å; K311-A314 PolarHBondContact O-N 3.04Å; K311-I315 WeakPolarHBondContact O-CG1 3.38Å; K311-I315 PolarHBondContact O-N 3.45Å |
| 312 | V | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.5 | -50.1 | 173.5 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | L286 L289 D308 L309 A314 I315 D316 N319 A322 | L286-V312 HydrophobicContact CD2-CG1 4.22Å; L289-V312 HydrophobicContact CB-CG2 3.59Å; D308-V312 PolarHBondContact O-N 2.97Å; L309-V312 WeakPolarHBondContact O-CB 3.48Å; L309-V312 PolarHBondContact O-N 3.42Å; V312-A314 VanDerWaalsContact C-N 3.27Å; V312-A314 PolarHBondContact O-N 2.95Å; V312-I315 PolarHBondContact O-N 3.4Å; V312-I315 VanDerWaalsContact O-N 3.13Å; V312-D316 PolarHBondContact O-N 2.88Å; V312-N319 HydrophobicContact CG1-CB 4.27Å; V312-A322 HydrophobicContact CB-CB 4.14Å; V312-A322 HydrophobicContact CG1-CB 3.66Å |
| 313 | L | 97.4 | Very high | 96.8 | Very high | 34 Ų | 34 | 70.2 Ų | 70.2 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.9 | -22.3 | 180 | -65.7 | 174 | 0 | 0 | 0 | 114.1 | L309 K310 D316 P317 N319 A322 Q323 L326 | L309-L313 WeakPolarHBondContact O-CG 3.35Å; L309-L313 PolarHBondContact O-N 3.22Å; K310-L313 PolarHBondContact O-N 2.9Å; L313-D316 CarbonylContact O-C 3.57Å; L313-P317 WeakPolarHBondContact O-CA 3.39Å; L313-P317 WeakPolarHBondContact O-CG 3.3Å; L313-N319 HydrophobicContact CD2-CB 4.32Å; L313-A322 HydrophobicContact CD2-CB 3.81Å; L313-A322 HydrophobicContact CG-CB 4.05Å; L313-Q323 HydrophobicContact CD1-CG 4.28Å; L313-Q323 HydrophobicContact CD2-CG 3.55Å; L313-L326 HydrophobicContact CD1-CD2 3.73Å |
| 314 | A | 97.1 | Very high | 96.8 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.3 | -33.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K310 K311 V312 | K310-A314 WeakPolarHBondContact O-CB 3.46Å; K310-A314 PolarHBondContact O-N 3.4Å; K311-A314 PolarHBondContact O-N 3.04Å; V312-A314 VanDerWaalsContact C-N 3.27Å; V312-A314 PolarHBondContact O-N 2.95Å |
| 315 | I | 95.3 | Very high | 96.7 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 46% | 0.462 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -85.4 | -45.2 | 178.6 | -60.9 | 165.6 | 0 | 0 | 0 | 110.7 | L286 L289 K311 V312 | L286-I315 HydrophobicContact CD1-CG2 3.93Å; L286-I315 HydrophobicContact CD2-CB 3.66Å; L286-I315 HydrophobicContact CD2-CD1 4.03Å; L286-I315 HydrophobicContact CD2-CG1 4.46Å; L286-I315 HydrophobicContact CD2-CG2 3.57Å; L286-I315 HydrophobicContact CG-CB 4.47Å; L286-I315 HydrophobicContact CG-CG2 3.88Å; L289-I315 HydrophobicContact CD1-CD1 4.08Å; K311-I315 WeakPolarHBondContact O-CG1 3.38Å; K311-I315 PolarHBondContact O-N 3.45Å; V312-I315 PolarHBondContact O-N 3.4Å; V312-I315 VanDerWaalsContact O-N 3.13Å |
| 316 | D | 95.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 63 Ų | 63 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | trans | -127.5 | 87.8 | 176.5 | 178.8 | 13 | 0 | 0 | 0 | 110.6 | L286 V312 L313 K318 N319 | L286-D316 HydrophobicContact CD2-CB 4.49Å; V312-D316 PolarHBondContact O-N 2.88Å; L313-D316 CarbonylContact O-C 3.57Å; D316-K318 PolarHBondContact O-N 3.5Å; D316-K318 VanDerWaalsContact O-N 3.13Å; D316-K318 PolarHBondContact OD1-N 3.13Å; D316-K318 VanDerWaalsContact OD1-N 3.13Å; D316-N319 HydrophobicContact CB-CB 4.23Å; D316-N319 VanDerWaalsContact O-CB 3.3Å; D316-N319 WeakPolarHBondContact O-CB 3.34Å; D316-N319 PolarHBondContact O-N 2.99Å; D316-N319 VanDerWaalsContact O-N 3.16Å; D316-N319 PolarHBondContact OD1-N 3.26Å; D316-N319 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 317 | P | 95.8 | Very high | 96.6 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.2 | 179.1 | -23.9 | 33.1 | 0 | 0 | 0 | 114.6 | L313 Q323 | L313-P317 WeakPolarHBondContact O-CA 3.39Å; L313-P317 WeakPolarHBondContact O-CG 3.3Å; P317-Q323 PolarHBondContact O-NE2 2.81Å |
| 318 | K | 94.9 | Very high | 96.5 | Very high | 189 Ų | 189 | 66.5 Ų | 66.5 | 82% | 0.822 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 2.5 | -178.4 | -65.4 | -176.3 | -178.6 | 178.2 | 0 | 112.7 | D316 R320 | D316-K318 PolarHBondContact O-N 3.5Å; D316-K318 VanDerWaalsContact O-N 3.13Å; D316-K318 PolarHBondContact OD1-N 3.13Å; D316-K318 VanDerWaalsContact OD1-N 3.13Å; K318-R320 PolarHBondContact O-N 3.25Å |
| 319 | N | 94.1 | Very high | 96.5 | Very high | 36 Ų | 36 | 66.3 Ų | 66.3 | 19% | 0.193 | 34% | 0.335 | C | S | . | . | trans | -67.2 | 94.2 | 179.7 | -163.9 | -58.4 | 0 | 0 | 0 | 111.4 | V312 L313 D316 A321 A322 Q323 | V312-N319 HydrophobicContact CG1-CB 4.27Å; L313-N319 HydrophobicContact CD2-CB 4.32Å; D316-N319 HydrophobicContact CB-CB 4.23Å; D316-N319 VanDerWaalsContact O-CB 3.3Å; D316-N319 WeakPolarHBondContact O-CB 3.34Å; D316-N319 PolarHBondContact O-N 2.99Å; D316-N319 VanDerWaalsContact O-N 3.16Å; D316-N319 PolarHBondContact OD1-N 3.26Å; D316-N319 WeakPolarHBondContact OD2-CB 3.39Å; N319-A321 VanDerWaalsContact C-N 3.3Å; N319-A321 PolarHBondContact O-N 3.44Å; N319-A321 PolarHBondContact OD1-N 3.26Å; N319-A322 HydrophobicContact CB-CB 4.05Å; N319-A322 PolarHBondContact O-N 2.94Å; N319-A322 WeakPolarHBondContact OD1-CB 3.27Å; N319-A322 PolarHBondContact OD1-N 3.47Å; N319-Q323 WeakPolarHBondContact O-CG 3.5Å; N319-Q323 PolarHBondContact O-N 3.28Å; N319-Q323 VanDerWaalsContact O-N 3.12Å | ||
| 320 | R | 95.3 | Very high | 96.4 | Very high | 162 Ų | 162 | 69.7 Ų | 69.7 | 61% | 0.611 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.9 | -40.5 | -177.5 | -169.1 | -179.3 | 70.1 | -171.7 | -4.3 | 112 | K318 A322 Q323 E324 | K318-R320 PolarHBondContact O-N 3.25Å; R320-A322 VanDerWaalsContact C-N 3.34Å; R320-A322 PolarHBondContact O-N 2.92Å; R320-Q323 PolarHBondContact O-N 2.97Å; R320-E324 WeakPolarHBondContact CD-OE1 3.44Å; R320-E324 HydrophobicContact CG-CG 4.33Å; R320-E324 WeakPolarHBondContact CG-OE1 3.43Å; R320-E324 IonicContact NE-OE1 3.29Å; R320-E324 PolarHBondContact NE-OE1 3.03Å; R320-E324 WeakPolarHBondContact O-CG 3.27Å; R320-E324 PolarHBondContact O-N 2.98Å |
| 321 | A | 94.1 | Very high | 96.3 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 17% | 0.165 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y290 N319 E324 E325 | Y290-A321 HydrophobicContact CE2-CB 3.94Å; N319-A321 VanDerWaalsContact C-N 3.3Å; N319-A321 PolarHBondContact O-N 3.44Å; N319-A321 PolarHBondContact OD1-N 3.26Å; A321-E324 PolarHBondContact O-N 3.44Å; A321-E325 WeakPolarHBondContact O-CB 3.36Å; A321-E325 PolarHBondContact O-N 2.96Å |
| 322 | A | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y290 L309 V312 L313 N319 R320 L326 | Y290-A322 HydrophobicContact CD2-CB 4.1Å; Y290-A322 HydrophobicContact CE2-CB 4.41Å; L309-A322 HydrophobicContact CD2-CB 4.37Å; V312-A322 HydrophobicContact CB-CB 4.14Å; V312-A322 HydrophobicContact CG1-CB 3.66Å; L313-A322 HydrophobicContact CD2-CB 3.81Å; L313-A322 HydrophobicContact CG-CB 4.05Å; N319-A322 HydrophobicContact CB-CB 4.05Å; N319-A322 PolarHBondContact O-N 2.94Å; N319-A322 WeakPolarHBondContact OD1-CB 3.27Å; N319-A322 PolarHBondContact OD1-N 3.47Å; R320-A322 VanDerWaalsContact C-N 3.34Å; R320-A322 PolarHBondContact O-N 2.92Å; A322-L326 WeakPolarHBondContact O-CB 3.5Å; A322-L326 PolarHBondContact O-N 2.79Å |
| 323 | Q | 97.3 | Very high | 96 | Very high | 101 Ų | 101 | 67.4 Ų | 67.4 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 174.4 | -66.8 | 178.4 | -3 | 0 | 0 | 111.6 | L313 P317 N319 R320 L326 G327 | L313-Q323 HydrophobicContact CD1-CG 4.28Å; L313-Q323 HydrophobicContact CD2-CG 3.55Å; P317-Q323 PolarHBondContact O-NE2 2.81Å; N319-Q323 WeakPolarHBondContact O-CG 3.5Å; N319-Q323 PolarHBondContact O-N 3.28Å; N319-Q323 VanDerWaalsContact O-N 3.12Å; R320-Q323 PolarHBondContact O-N 2.97Å; Q323-L326 PolarHBondContact O-N 2.98Å; Q323-G327 PolarHBondContact O-N 3.18Å |
| 324 | E | 97.2 | Very high | 95.8 | Very high | 92 Ų | 92 | 72.5 Ų | 72.5 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 177.6 | -72.9 | 173.8 | -168.8 | 0 | 0 | 110.9 | R320 A321 L326 G327 K328 | R320-E324 WeakPolarHBondContact CD-OE1 3.44Å; R320-E324 HydrophobicContact CG-CG 4.33Å; R320-E324 WeakPolarHBondContact CG-OE1 3.43Å; R320-E324 IonicContact NE-OE1 3.29Å; R320-E324 PolarHBondContact NE-OE1 3.03Å; R320-E324 WeakPolarHBondContact O-CG 3.27Å; R320-E324 PolarHBondContact O-N 2.98Å; A321-E324 PolarHBondContact O-N 3.44Å; E324-L326 PolarHBondContact O-N 2.86Å; E324-G327 PolarHBondContact O-N 3.19Å; E324-G327 VanDerWaalsContact O-N 3.16Å; E324-K328 WeakPolarHBondContact O-CG 3.21Å; E324-K328 PolarHBondContact O-N 3.4Å |
| 325 | E | 97 | Very high | 95.7 | Very high | 23 Ų | 23 | 73.9 Ų | 73.9 | 11% | 0.107 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 179.9 | -162.4 | 64.1 | -166.5 | 0 | 0 | 112.1 | Y290 V294 L309 A321 G327 K328 V329 | Y290-E325 HydrophobicContact CE2-CB 4.34Å; V294-E325 HydrophobicContact CG2-CG 3.88Å; L309-E325 HydrophobicContact CD1-CB 4.07Å; L309-E325 HydrophobicContact CD1-CG 3.91Å; L309-E325 HydrophobicContact CD2-CB 4.15Å; L309-E325 HydrophobicContact CD2-CG 4.26Å; A321-E325 WeakPolarHBondContact O-CB 3.36Å; A321-E325 PolarHBondContact O-N 2.96Å; E325-G327 VanDerWaalsContact C-N 3.28Å; E325-G327 PolarHBondContact O-N 3.16Å; E325-K328 WeakPolarHBondContact O-CB 3.48Å; E325-K328 PolarHBondContact O-N 3.47Å; E325-K328 WeakPolarHBondContact OE2-CD 3.49Å; E325-K328 IonicContact OE2-NZ 2.8Å; E325-K328 PolarHBondContact OE2-NZ 3.28Å; E325-V329 WeakPolarHBondContact O-CG2 3.44Å; E325-V329 PolarHBondContact O-N 3.22Å |
| 326 | L | 96.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 73.9 Ų | 73.9 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | 174.5 | -178.2 | 61.4 | 0 | 0 | 0 | 111.2 | T306 L309 K310 L313 A322 Q323 E324 V329 V330 | T306-L326 HydrophobicContact CG2-CD1 3.97Å; L309-L326 HydrophobicContact CB-CB 4.32Å; L309-L326 HydrophobicContact CB-CD1 4.33Å; L309-L326 HydrophobicContact CD1-CB 4.21Å; L309-L326 HydrophobicContact CD1-CD1 4.49Å; K310-L326 HydrophobicContact CG-CD2 4.36Å; L313-L326 HydrophobicContact CD1-CD2 3.73Å; A322-L326 WeakPolarHBondContact O-CB 3.5Å; A322-L326 PolarHBondContact O-N 2.79Å; Q323-L326 PolarHBondContact O-N 2.98Å; E324-L326 PolarHBondContact O-N 2.86Å; L326-V329 PolarHBondContact O-N 3.11Å; L326-V330 VanDerWaalsContact O-CG2 3.31Å; L326-V330 WeakPolarHBondContact O-CG2 3.38Å; L326-V330 PolarHBondContact O-N 3.02Å |
| 327 | G | 97.2 | Very high | 95.3 | Very high | 33 Ų | 33 | 76.3 Ų | 76.3 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q323 E324 E325 V330 I331 | Q323-G327 PolarHBondContact O-N 3.18Å; E324-G327 PolarHBondContact O-N 3.19Å; E324-G327 VanDerWaalsContact O-N 3.16Å; E325-G327 VanDerWaalsContact C-N 3.28Å; E325-G327 PolarHBondContact O-N 3.16Å; G327-V330 PolarHBondContact O-N 2.95Å; G327-I331 WeakPolarHBondContact O-CG1 3.3Å; G327-I331 PolarHBondContact O-N 2.93Å; G327-I331 VanDerWaalsContact O-N 3.11Å |
| 328 | K | 96.9 | Very high | 95.2 | Very high | 119 Ų | 119 | 75.1 Ų | 75.1 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 176.1 | -63.9 | 178.1 | -159.6 | 158.1 | 0 | 111.8 | E324 E325 V330 I331 Q332 | E324-K328 WeakPolarHBondContact O-CG 3.21Å; E324-K328 PolarHBondContact O-N 3.4Å; E325-K328 WeakPolarHBondContact O-CB 3.48Å; E325-K328 PolarHBondContact O-N 3.47Å; E325-K328 WeakPolarHBondContact OE2-CD 3.49Å; E325-K328 IonicContact OE2-NZ 2.8Å; E325-K328 PolarHBondContact OE2-NZ 3.28Å; K328-V330 VanDerWaalsContact C-N 3.3Å; K328-V330 PolarHBondContact O-N 3.37Å; K328-I331 PolarHBondContact O-N 3.17Å; K328-I331 VanDerWaalsContact O-N 3.17Å; K328-Q332 WeakPolarHBondContact O-CB 3.35Å; K328-Q332 PolarHBondContact O-N 3.17Å |
| 329 | V | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 178.6 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | A297 L302 A305 T306 L309 E325 L326 Q332 G333 | A297-V329 HydrophobicContact CB-CG2 3.56Å; L302-V329 HydrophobicContact CB-CG1 3.99Å; L302-V329 HydrophobicContact CD2-CG1 4.24Å; A305-V329 HydrophobicContact CB-CG1 4.23Å; A305-V329 HydrophobicContact CB-CG2 4.06Å; T306-V329 WeakPolarHBondContact OG1-CG1 3.31Å; L309-V329 HydrophobicContact CD1-CG2 4.06Å; E325-V329 WeakPolarHBondContact O-CG2 3.44Å; E325-V329 PolarHBondContact O-N 3.22Å; L326-V329 PolarHBondContact O-N 3.11Å; V329-Q332 PolarHBondContact O-N 3.36Å; V329-G333 PolarHBondContact O-N 3.38Å |
| 330 | V | 96 | Very high | 94.9 | Very high | 71 Ų | 71 | 71.4 Ų | 71.4 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | L326 G327 K328 G333 K334 | L326-V330 VanDerWaalsContact O-CG2 3.31Å; L326-V330 WeakPolarHBondContact O-CG2 3.38Å; L326-V330 PolarHBondContact O-N 3.02Å; G327-V330 PolarHBondContact O-N 2.95Å; K328-V330 VanDerWaalsContact C-N 3.3Å; K328-V330 PolarHBondContact O-N 3.37Å; V330-G333 PolarHBondContact O-N 3.39Å; V330-K334 WeakPolarHBondContact O-CG 3.42Å; V330-K334 PolarHBondContact O-N 2.87Å; V330-K334 VanDerWaalsContact O-N 3.15Å |
| 331 | I | 96.1 | Very high | 94.8 | Very high | 103 Ų | 103 | 65.6 Ų | 65.6 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.2 | -67.1 | 166.2 | 0 | 0 | 0 | 110.3 | G327 K328 G333 K334 N335 | G327-I331 WeakPolarHBondContact O-CG1 3.3Å; G327-I331 PolarHBondContact O-N 2.93Å; G327-I331 VanDerWaalsContact O-N 3.11Å; K328-I331 PolarHBondContact O-N 3.17Å; K328-I331 VanDerWaalsContact O-N 3.17Å; I331-G333 VanDerWaalsContact C-N 3.32Å; I331-G333 PolarHBondContact O-N 3.31Å; I331-K334 PolarHBondContact O-N 3.28Å; I331-N335 PolarHBondContact O-N 3.05Å |
| 332 | Q | 94.5 | Very high | 94.7 | Very high | 69 Ų | 69 | 70 Ų | 70 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 177.9 | -168.5 | 179.7 | 1.5 | 0 | 0 | 111.5 | L302 K328 V329 N335 Q336 | L302-Q332 HydrophobicContact CD1-CB 4.1Å; L302-Q332 HydrophobicContact CD1-CG 4.03Å; L302-Q332 HydrophobicContact CD2-CB 4.38Å; L302-Q332 HydrophobicContact CD2-CG 4.11Å; L302-Q332 VanDerWaalsContact CD2-OE1 3.31Å; K328-Q332 WeakPolarHBondContact O-CB 3.35Å; K328-Q332 PolarHBondContact O-N 3.17Å; V329-Q332 PolarHBondContact O-N 3.36Å; Q332-N335 PolarHBondContact O-N 3.3Å; Q332-Q336 WeakPolarHBondContact O-CG 3.44Å; Q332-Q336 PolarHBondContact O-N 3.41Å |
| 333 | G | 95.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 71.3 Ų | 71.3 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L302 V329 V330 I331 N335 Q336 D337 | L302-G333 VanDerWaalsContact CD1-N 3.27Å; V329-G333 PolarHBondContact O-N 3.38Å; V330-G333 PolarHBondContact O-N 3.39Å; I331-G333 VanDerWaalsContact C-N 3.32Å; I331-G333 PolarHBondContact O-N 3.31Å; G333-N335 VanDerWaalsContact C-N 3.27Å; G333-N335 PolarHBondContact O-N 3.15Å; G333-Q336 PolarHBondContact O-N 3.47Å; G333-D337 PolarHBondContact O-N 2.99Å |
| 334 | K | 94.3 | Very high | 94.5 | Very high | 142 Ų | 142 | 70.2 Ų | 70.2 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.6 | -38.7 | 175.8 | -71.7 | 178.3 | 179.8 | -178.1 | 0 | 112.6 | V330 I331 A338 | V330-K334 WeakPolarHBondContact O-CG 3.42Å; V330-K334 PolarHBondContact O-N 2.87Å; V330-K334 VanDerWaalsContact O-N 3.15Å; I331-K334 PolarHBondContact O-N 3.28Å; K334-A338 VanDerWaalsContact O-CB 3.31Å; K334-A338 WeakPolarHBondContact O-CB 3.29Å; K334-A338 PolarHBondContact O-N 3.27Å |
| 335 | N | 93.3 | Very high | 94.2 | Very high | 110 Ų | 110 | 74.7 Ų | 74.7 | 59% | 0.588 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.1 | -39.1 | 178 | -69.7 | -15.8 | 0 | 0 | 0 | 111.8 | I331 Q332 G333 G339 | I331-N335 PolarHBondContact O-N 3.05Å; Q332-N335 PolarHBondContact O-N 3.3Å; G333-N335 VanDerWaalsContact C-N 3.27Å; G333-N335 PolarHBondContact O-N 3.15Å; N335-G339 PolarHBondContact O-N 3.48Å |
| 336 | Q | 90.4 | Very high | 94 | Very high | 90 Ų | 90 | 81 Ų | 81 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 174.5 | -73.5 | 179.5 | -9.7 | 0 | 0 | 111.7 | Q332 G333 A338 G339 L340 | Q332-Q336 WeakPolarHBondContact O-CG 3.44Å; Q332-Q336 PolarHBondContact O-N 3.41Å; G333-Q336 PolarHBondContact O-N 3.47Å; Q336-A338 PolarHBondContact O-N 3.39Å; Q336-G339 PolarHBondContact O-N 2.88Å; Q336-L340 WeakPolarHBondContact O-CB 3.31Å; Q336-L340 PolarHBondContact O-N 3.39Å |
| 337 | D | 92.6 | Very high | 93.7 | Very high | 108 Ų | 108 | 85.8 Ų | 85.8 | 58% | 0.578 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 177.5 | -69.5 | -20.9 | 0 | 0 | 0 | 111.9 | G333 L340 A341 | G333-D337 PolarHBondContact O-N 2.99Å; D337-L340 PolarHBondContact O-N 2.97Å; D337-A341 VanDerWaalsContact O-CB 3.29Å; D337-A341 WeakPolarHBondContact O-CB 3.46Å; D337-A341 PolarHBondContact O-N 2.87Å |
| 338 | A | 92.7 | Very high | 93.4 | Very high | 61 Ų | 61 | 92.3 Ų | 92.3 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K334 Q336 A341 Q342 | K334-A338 VanDerWaalsContact O-CB 3.31Å; K334-A338 WeakPolarHBondContact O-CB 3.29Å; K334-A338 PolarHBondContact O-N 3.27Å; Q336-A338 PolarHBondContact O-N 3.39Å; A338-A341 PolarHBondContact O-N 3.39Å; A338-Q342 WeakPolarHBondContact O-CB 3.37Å; A338-Q342 PolarHBondContact O-N 3.25Å |
| 339 | G | 91.8 | Very high | 92.4 | Very high | 39 Ų | 39 | 92.4 Ų | 92.4 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N335 Q336 Q342 G343 | N335-G339 PolarHBondContact O-N 3.48Å; Q336-G339 PolarHBondContact O-N 2.88Å; G339-Q342 PolarHBondContact O-N 2.99Å; G339-G343 PolarHBondContact O-N 3.26Å |
| 340 | L | 91.7 | Very high | 92.2 | Very high | 108 Ų | 108 | 96.9 Ų | 96.9 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -47.3 | 177 | 179.8 | 60.1 | 0 | 0 | 0 | 111.5 | Q336 D337 Q342 G343 L344 | Q336-L340 WeakPolarHBondContact O-CB 3.31Å; Q336-L340 PolarHBondContact O-N 3.39Å; D337-L340 PolarHBondContact O-N 2.97Å; L340-Q342 VanDerWaalsContact C-N 3.31Å; L340-Q342 PolarHBondContact O-N 3.09Å; L340-G343 PolarHBondContact O-N 3.49Å; L340-G343 VanDerWaalsContact O-N 3.16Å; L340-L344 HydrophobicContact CD1-CD1 4.39Å; L340-L344 HydrophobicContact CD1-CG 4.33Å; L340-L344 HydrophobicContact CG-CD1 4.2Å; L340-L344 WeakPolarHBondContact O-CG 3.46Å; L340-L344 PolarHBondContact O-N 3.5Å |
| 341 | A | 93.3 | Very high | 92 | Very high | 39 Ų | 39 | 98.2 Ų | 98.2 | 32% | 0.322 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D337 A338 L344 R345 | D337-A341 VanDerWaalsContact O-CB 3.29Å; D337-A341 WeakPolarHBondContact O-CB 3.46Å; D337-A341 PolarHBondContact O-N 2.87Å; A338-A341 PolarHBondContact O-N 3.39Å; A341-L344 PolarHBondContact O-N 2.92Å; A341-R345 WeakPolarHBondContact O-CG 3.36Å; A341-R345 PolarHBondContact O-N 3.16Å; A341-R345 VanDerWaalsContact O-N 3.09Å |
| 342 | Q | 93 | Very high | 91.7 | Very high | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 175 | -171 | -177 | 27 | 0 | 0 | 111.7 | A338 G339 L340 R345 K346 | A338-Q342 WeakPolarHBondContact O-CB 3.37Å; A338-Q342 PolarHBondContact O-N 3.25Å; G339-Q342 PolarHBondContact O-N 2.99Å; L340-Q342 VanDerWaalsContact C-N 3.31Å; L340-Q342 PolarHBondContact O-N 3.09Å; Q342-R345 PolarHBondContact O-N 2.94Å; Q342-K346 PolarHBondContact O-N 3.37Å |
| 343 | G | 93 | Very high | 91.6 | Very high | 29 Ų | 29 | 99.6 Ų | 99.6 | 30% | 0.299 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.1 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G339 L340 R345 K346 M347 | G339-G343 PolarHBondContact O-N 3.26Å; L340-G343 PolarHBondContact O-N 3.49Å; L340-G343 VanDerWaalsContact O-N 3.16Å; G343-R345 PolarHBondContact O-N 3.47Å; G343-K346 PolarHBondContact O-N 2.97Å; G343-M347 WeakPolarHBondContact O-CE 3.39Å; G343-M347 PolarHBondContact O-N 2.98Å |
| 344 | L | 93.7 | Very high | 91.3 | Very high | 77 Ų | 77 | 104.9 Ų | 104.9 | 40% | 0.403 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.9 | -41.2 | 178.1 | -69.1 | 173.2 | 0 | 0 | 0 | 112.5 | L340 A341 K346 M347 F348 | L340-L344 HydrophobicContact CD1-CD1 4.39Å; L340-L344 HydrophobicContact CD1-CG 4.33Å; L340-L344 HydrophobicContact CG-CD1 4.2Å; L340-L344 WeakPolarHBondContact O-CG 3.46Å; L340-L344 PolarHBondContact O-N 3.5Å; A341-L344 PolarHBondContact O-N 2.92Å; L344-K346 VanDerWaalsContact C-N 3.3Å; L344-K346 PolarHBondContact O-N 3.25Å; L344-M347 HydrophobicContact CD2-CE 4.21Å; L344-M347 PolarHBondContact O-N 2.9Å; L344-F348 HydrophobicContact CD2-CD2 4.11Å; L344-F348 HydrophobicContact CD2-CE2 3.8Å; L344-F348 WeakPolarHBondContact O-CD2 3.25Å; L344-F348 PolarHBondContact O-N 3.39Å |
| 345 | R | 93 | Very high | 91.1 | Very high | 186 Ų | 186 | 102.5 Ų | 102.5 | 70% | 0.702 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.8 | -35.7 | 176.6 | -73.8 | 176.3 | -167.7 | 163 | 4.9 | 113 | A341 Q342 G343 M347 G349 | A341-R345 WeakPolarHBondContact O-CG 3.36Å; A341-R345 PolarHBondContact O-N 3.16Å; A341-R345 VanDerWaalsContact O-N 3.09Å; Q342-R345 PolarHBondContact O-N 2.94Å; G343-R345 PolarHBondContact O-N 3.47Å; R345-M347 VanDerWaalsContact C-N 3.33Å; R345-G349 VanDerWaalsContact O-CA 3.25Å; R345-G349 WeakPolarHBondContact O-CA 3.41Å; R345-G349 PolarHBondContact O-N 3.18Å |
| 346 | K | 92.1 | Very high | 91 | Very high | 157 Ų | 157 | 101.9 Ų | 101.9 | 68% | 0.683 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.1 | -26.7 | 177.7 | -69.5 | 177.6 | 178.8 | 177.8 | 0 | 112.9 | Q342 G343 L344 | Q342-K346 PolarHBondContact O-N 3.37Å; G343-K346 PolarHBondContact O-N 2.97Å; L344-K346 VanDerWaalsContact C-N 3.3Å; L344-K346 PolarHBondContact O-N 3.25Å |
| 347 | M | 90.9 | Very high | 91 | Very high | 131 Ų | 131 | 102.8 Ų | 102.8 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -88.5 | -30.1 | -179.6 | -70.7 | -173.7 | -75.1 | 0 | 0 | 113.1 | G343 L344 R345 | G343-M347 WeakPolarHBondContact O-CE 3.39Å; G343-M347 PolarHBondContact O-N 2.98Å; L344-M347 HydrophobicContact CD2-CE 4.21Å; L344-M347 PolarHBondContact O-N 2.9Å; R345-M347 VanDerWaalsContact C-N 3.33Å |
| 348 | F | 90.7 | Very high | 90.9 | Very high | 169 Ų | 169 | 102.4 Ų | 102.4 | 74% | 0.741 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -125.5 | -5 | -171.7 | -59.9 | -71.9 | 0 | 0 | 0 | 115.2 | L344 | L344-F348 HydrophobicContact CD2-CD2 4.11Å; L344-F348 HydrophobicContact CD2-CE2 3.8Å; L344-F348 WeakPolarHBondContact O-CD2 3.25Å; L344-F348 PolarHBondContact O-N 3.39Å |
| 349 | G | 75.3 | Confident | 90.8 | Very high | 121 Ų | 121 | 106.2 Ų | 106.2 | 100% | 1.247 | 59% | 0.594 | S | S | * | * | trans | -95.4 | 0 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R345 | R345-G349 VanDerWaalsContact O-CA 3.25Å; R345-G349 WeakPolarHBondContact O-CA 3.41Å; R345-G349 PolarHBondContact O-N 3.18Å |
Retrieved 349 of 349 residues in 221.7 ms
(Link to these results)