| 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 | Very low | 53.9 | Low | 252 Ų | 252 | 138 Ų | 138 | 100% | 1.241 | 77% | 0.773 | S | S | * | * | 0 | 26.8 | 0 | -70.3 | -65.6 | -93.7 | 0 | 0 | 112.2 | |||||
| 2 | G | 38.2 | Very low | 54.9 | Low | 61 Ų | 61 | 133.8 Ų | 133.8 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | trans | 168.5 | -160.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 3 | T | 53 | Low | 56.1 | Low | 139 Ų | 139 | 132.2 Ų | 132.2 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | 66.4 | 123 | -168.1 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 4 | P | 47.5 | Very low | 57.1 | Low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 151.4 | -177.3 | 33.8 | -35 | 0 | 0 | 0 | 111.4 | E6 | P4-E6 PolarHBondContact O-N 3.23Š|
| 5 | V | 52.4 | Low | 58.2 | Low | 138 Ų | 138 | 127.8 Ų | 127.8 | 84% | 0.836 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 119 | 175.3 | 179 | 0 | 0 | 0 | 0 | 108.9 | ||
| 6 | E | 60 | Low | 59.2 | Low | 173 Ų | 173 | 126.9 Ų | 126.9 | 81% | 0.808 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 147.1 | 175 | -61.9 | -167.5 | 153.6 | 0 | 0 | 111 | P4 L8 | P4-E6 PolarHBondContact O-N 3.23Å; E6-L8 PolarHBondContact O-N 3.02Å |
| 7 | F | 52.3 | Low | 60 | Low | 204 Ų | 204 | 126.1 Ų | 126.1 | 90% | 0.895 | 70% | 0.702 | S | S | * | * | trans | -69.1 | 102.7 | 177 | -82.7 | -100.1 | 0 | 0 | 0 | 109.9 | T9 | F7-T9 PolarHBondContact O-N 3.47Š| ||
| 8 | L | 58.4 | Low | 60.8 | Low | 120 Ų | 120 | 123.1 Ų | 123.1 | 63% | 0.628 | 69% | 0.69 | S | S | * | * | trans | -54.9 | 132.2 | 165.5 | -70.4 | 167.4 | 0 | 0 | 0 | 109.3 | E6 E12 | E6-L8 PolarHBondContact O-N 3.02Å; L8-E12 WeakPolarHBondContact CA-OE2 3.42Å; L8-E12 HydrophobicContact CB-CB 4.34Å; L8-E12 HydrophobicContact CD2-CB 4.2Å; L8-E12 VanDerWaalsContact CD2-CD 3.49Å; L8-E12 HydrophobicContact CD2-CG 4.37Å; L8-E12 WeakPolarHBondContact CD2-OE1 3.46Å | ||
| 9 | T | 66.1 | Low | 61.6 | Low | 69 Ų | 69 | 118.7 Ų | 118.7 | 42% | 0.423 | 68% | 0.676 | S | S | . | * | trans | -73.8 | 158.7 | -178 | 62.7 | 0 | 0 | 0 | 0 | 111 | F7 L11 E12 | F7-T9 PolarHBondContact O-N 3.47Å; T9-L11 PolarHBondContact O-N 2.82Å; T9-E12 PolarHBondContact N-OE2 2.98Å; T9-E12 PolarHBondContact O-N 3.08Å; T9-E12 PolarHBondContact OG1-OE2 3.14Å | ||
| 10 | P | 62.7 | Low | 62.3 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 71% | 0.708 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -54.2 | -26.8 | 179.6 | -29.3 | 36.6 | 0 | 0 | 0 | 115.2 | ||
| 11 | L | 63.6 | Low | 63 | Low | 132 Ų | 132 | 122.5 Ų | 122.5 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.7 | -33.3 | 175.7 | -83.3 | 103.1 | 0 | 0 | 0 | 113.5 | T9 I13 E14 A15 | T9-L11 PolarHBondContact O-N 2.82Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-E14 PolarHBondContact O-N 3.45Å; L11-A15 PolarHBondContact O-N 3.1Å; L11-A15 VanDerWaalsContact O-N 3.15Å |
| 12 | E | 66.2 | Low | 64.7 | Low | 87 Ų | 87 | 115.3 Ų | 115.3 | 41% | 0.407 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -75.3 | -28.2 | -174.6 | -70.5 | 161.7 | 115.1 | 0 | 0 | 111.6 | L8 T9 V16 | L8-E12 WeakPolarHBondContact CA-OE2 3.42Å; L8-E12 HydrophobicContact CB-CB 4.34Å; L8-E12 HydrophobicContact CD2-CB 4.2Å; L8-E12 VanDerWaalsContact CD2-CD 3.49Å; L8-E12 HydrophobicContact CD2-CG 4.37Å; L8-E12 WeakPolarHBondContact CD2-OE1 3.46Å; T9-E12 PolarHBondContact N-OE2 2.98Å; T9-E12 PolarHBondContact O-N 3.08Å; T9-E12 PolarHBondContact OG1-OE2 3.14Å; E12-V16 WeakPolarHBondContact O-CG2 3.33Å; E12-V16 PolarHBondContact O-N 2.89Å |
| 13 | I | 70.5 | Confident | 66.4 | Low | 114 Ų | 114 | 116.2 Ų | 116.2 | 59% | 0.585 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.3 | -41.7 | 171.7 | -60.2 | 173.7 | 0 | 0 | 0 | 110.5 | L11 A15 V16 L17 | L11-I13 VanDerWaalsContact C-N 3.34Å; I13-A15 PolarHBondContact O-N 3.35Å; I13-V16 PolarHBondContact O-N 3.5Å; I13-L17 PolarHBondContact O-N 2.99Å |
| 14 | E | 69.4 | Low | 67.2 | Low | 132 Ų | 132 | 116.4 Ų | 116.4 | 62% | 0.617 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.5 | -37 | -179.6 | -166.8 | 168.9 | -150.7 | 0 | 0 | 112 | L11 L17 C18 | L11-E14 PolarHBondContact O-N 3.45Å; E14-L17 PolarHBondContact O-N 2.86Å; E14-C18 WeakPolarHBondContact O-CB 3.33Å; E14-C18 PolarHBondContact O-N 3.09Å; E14-C18 PolarHBondContact O-SG 3Å |
| 15 | A | 73.8 | Confident | 67.9 | Low | 66 Ų | 66 | 116.3 Ų | 116.3 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.6 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L11 I13 C18 G19 | L11-A15 PolarHBondContact O-N 3.1Å; L11-A15 VanDerWaalsContact O-N 3.15Å; I13-A15 PolarHBondContact O-N 3.35Å; A15-C18 PolarHBondContact O-N 2.69Å; A15-G19 PolarHBondContact O-N 3.25Å; A15-G19 VanDerWaalsContact O-N 3.09Å |
| 16 | V | 74 | Confident | 68.6 | Low | 113 Ų | 113 | 112.3 Ų | 112.3 | 69% | 0.685 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.9 | -40.1 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | E12 I13 C18 G19 L20 | E12-V16 WeakPolarHBondContact O-CG2 3.33Å; E12-V16 PolarHBondContact O-N 2.89Å; I13-V16 PolarHBondContact O-N 3.5Å; V16-C18 VanDerWaalsContact C-N 3.33Å; V16-C18 PolarHBondContact O-N 3.25Å; V16-G19 PolarHBondContact O-N 2.83Å; V16-L20 PolarHBondContact O-N 3.45Å |
| 17 | L | 73.7 | Confident | 68.7 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.3 | -36.8 | 177.3 | -148.8 | 81.5 | 0 | 0 | 0 | 112.2 | I13 E14 R21 | I13-L17 PolarHBondContact O-N 2.99Å; E14-L17 PolarHBondContact O-N 2.86Å; L17-R21 PolarHBondContact O-N 3.4Å |
| 18 | C | 73.5 | Confident | 69.2 | Low | 71 Ų | 71 | 105 Ų | 105 | 48% | 0.48 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.9 | -43.5 | 173.9 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | E14 A15 V16 L20 R21 V22 | E14-C18 WeakPolarHBondContact O-CB 3.33Å; E14-C18 PolarHBondContact O-N 3.09Å; E14-C18 PolarHBondContact O-SG 3Å; A15-C18 PolarHBondContact O-N 2.69Å; V16-C18 VanDerWaalsContact C-N 3.33Å; V16-C18 PolarHBondContact O-N 3.25Å; C18-L20 VanDerWaalsContact C-N 3.35Å; C18-L20 PolarHBondContact O-N 3.1Å; C18-R21 PolarHBondContact O-N 3.08Å; C18-V22 WeakPolarHBondContact O-CG2 3.4Å; C18-V22 PolarHBondContact O-N 3.34Å; C18-V22 VanDerWaalsContact O-N 3.15Å |
| 19 | G | 76.1 | Confident | 69.2 | Low | 41 Ų | 41 | 106.9 Ų | 106.9 | 42% | 0.423 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.9 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | A15 V16 R21 V22 S23 | A15-G19 PolarHBondContact O-N 3.25Å; A15-G19 VanDerWaalsContact O-N 3.09Å; V16-G19 PolarHBondContact O-N 2.83Å; G19-R21 PolarHBondContact O-N 2.85Å; G19-V22 PolarHBondContact O-N 2.8Å; G19-S23 PolarHBondContact O-N 2.91Å; G19-S23 VanDerWaalsContact O-N 3.13Å |
| 20 | L | 76.1 | Confident | 69.1 | Low | 129 Ų | 129 | 110.8 Ų | 110.8 | 68% | 0.675 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.8 | -39.1 | -179.8 | -157.7 | 75 | 0 | 0 | 0 | 112.5 | V16 C18 S23 Q24 | V16-L20 PolarHBondContact O-N 3.45Å; C18-L20 VanDerWaalsContact C-N 3.35Å; C18-L20 PolarHBondContact O-N 3.1Å; L20-S23 PolarHBondContact O-N 2.99Å; L20-Q24 WeakPolarHBondContact O-CB 3.45Å; L20-Q24 PolarHBondContact O-N 2.79Å; L20-Q24 VanDerWaalsContact O-N 3.08Å |
| 21 | R | 76.7 | Confident | 69.9 | Low | 188 Ų | 188 | 111.3 Ų | 111.3 | 71% | 0.709 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.6 | -39.2 | 174.4 | -75.6 | 178.9 | 71 | -177.7 | 2.5 | 112.2 | L17 C18 G19 Q24 M25 | L17-R21 PolarHBondContact O-N 3.4Å; C18-R21 PolarHBondContact O-N 3.08Å; G19-R21 PolarHBondContact O-N 2.85Å; R21-Q24 PolarHBondContact O-N 3.15Å; R21-M25 VanDerWaalsContact O-CB 3.24Å; R21-M25 WeakPolarHBondContact O-CB 3.45Å; R21-M25 PolarHBondContact O-N 3.42Å |
| 22 | V | 74.4 | Confident | 70.6 | Confident | 100 Ų | 100 | 110.5 Ų | 110.5 | 61% | 0.606 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.9 | -43.2 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | C18 G19 Q24 M25 A26 | C18-V22 WeakPolarHBondContact O-CG2 3.4Å; C18-V22 PolarHBondContact O-N 3.34Å; C18-V22 VanDerWaalsContact O-N 3.15Å; G19-V22 PolarHBondContact O-N 2.8Å; V22-Q24 PolarHBondContact O-N 3.14Å; V22-M25 PolarHBondContact O-N 2.84Å; V22-A26 WeakPolarHBondContact O-CB 3.3Å; V22-A26 PolarHBondContact O-N 2.97Å |
| 23 | S | 73.1 | Confident | 71.5 | Confident | 80 Ų | 80 | 112.7 Ų | 112.7 | 56% | 0.559 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.6 | -42.2 | 173.6 | -93.7 | 0 | 0 | 0 | 0 | 112.6 | G19 L20 M25 A26 Q27 | G19-S23 PolarHBondContact O-N 2.91Å; G19-S23 VanDerWaalsContact O-N 3.13Å; L20-S23 PolarHBondContact O-N 2.99Å; S23-M25 VanDerWaalsContact C-N 3.33Å; S23-M25 PolarHBondContact O-N 2.79Å; S23-A26 WeakPolarHBondContact O-CB 3.49Å; S23-A26 PolarHBondContact O-N 3.2Å; S23-Q27 PolarHBondContact O-N 3.39Å |
| 24 | Q | 70.5 | Confident | 72.2 | Confident | 144 Ų | 144 | 109.9 Ų | 109.9 | 67% | 0.673 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.2 | -34.5 | 178.9 | -164.2 | 169.8 | 45.2 | 0 | 0 | 112.3 | L20 R21 V22 Q27 T28 | L20-Q24 WeakPolarHBondContact O-CB 3.45Å; L20-Q24 PolarHBondContact O-N 2.79Å; L20-Q24 VanDerWaalsContact O-N 3.08Å; R21-Q24 PolarHBondContact O-N 3.15Å; V22-Q24 PolarHBondContact O-N 3.14Å; Q24-Q27 PolarHBondContact O-N 2.74Å; Q24-T28 PolarHBondContact O-N 3.4Å |
| 25 | M | 61.8 | Low | 72.9 | Confident | 119 Ų | 119 | 106.9 Ų | 106.9 | 59% | 0.586 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.3 | -30 | 173.8 | -165.4 | 171.3 | -176.3 | 0 | 0 | 112.3 | R21 V22 S23 T28 Y29 | R21-M25 VanDerWaalsContact O-CB 3.24Å; R21-M25 WeakPolarHBondContact O-CB 3.45Å; R21-M25 PolarHBondContact O-N 3.42Å; V22-M25 PolarHBondContact O-N 2.84Å; S23-M25 VanDerWaalsContact C-N 3.33Å; S23-M25 PolarHBondContact O-N 2.79Å; M25-T28 PolarHBondContact O-OG1 3.29Å; M25-Y29 HydrophobicContact CG-CE2 4.43Å; M25-Y29 WeakPolarHBondContact O-CD2 3.17Å; M25-Y29 VanDerWaalsContact O-CE2 3.22Å; M25-Y29 WeakPolarHBondContact O-CE2 3.28Å |
| 26 | A | 67.2 | Low | 73.5 | Confident | 54 Ų | 54 | 107.1 Ų | 107.1 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.5 | -42.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | V22 S23 T28 Y29 | V22-A26 WeakPolarHBondContact O-CB 3.3Å; V22-A26 PolarHBondContact O-N 2.97Å; S23-A26 WeakPolarHBondContact O-CB 3.49Å; S23-A26 PolarHBondContact O-N 3.2Å; A26-T28 PolarHBondContact O-N 3.26Å; A26-Y29 PolarHBondContact O-N 3.47Å |
| 27 | Q | 62.5 | Low | 74.2 | Confident | 129 Ų | 129 | 108.5 Ų | 108.5 | 60% | 0.603 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -57.6 | -33.7 | 178.5 | -155.9 | 81.8 | 58.2 | 0 | 0 | 112.5 | S23 Q24 Y29 E30 | S23-Q27 PolarHBondContact O-N 3.39Å; Q24-Q27 PolarHBondContact O-N 2.74Å; Q27-Y29 PolarHBondContact O-N 2.88Å; Q27-E30 PolarHBondContact O-N 2.91Å |
| 28 | T | 62.5 | Low | 74.9 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -5.6 | 177.2 | 47.4 | 0 | 0 | 0 | 0 | 115.1 | Q24 M25 A26 | Q24-T28 PolarHBondContact O-N 3.4Å; M25-T28 PolarHBondContact O-OG1 3.29Å; A26-T28 PolarHBondContact O-N 3.26Å |
| 29 | Y | 59.6 | Low | 75.8 | Confident | 161 Ų | 161 | 109.8 Ų | 109.8 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -9.3 | 175.6 | -69.6 | -73.8 | 0 | 0 | 0 | 114.3 | M25 A26 Q27 | M25-Y29 HydrophobicContact CG-CE2 4.43Å; M25-Y29 WeakPolarHBondContact O-CD2 3.17Å; M25-Y29 VanDerWaalsContact O-CE2 3.22Å; M25-Y29 WeakPolarHBondContact O-CE2 3.28Å; A26-Y29 PolarHBondContact O-N 3.47Å; Q27-Y29 PolarHBondContact O-N 2.88Å |
| 30 | E | 64.1 | Low | 76.5 | Confident | 151 Ų | 151 | 114.5 Ų | 114.5 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -82.8 | -25.4 | -175.5 | -62.6 | -155.5 | 153.1 | 0 | 0 | 113.9 | Q27 L32 | Q27-E30 PolarHBondContact O-N 2.91Å; E30-L32 VanDerWaalsContact C-N 3.25Å; E30-L32 PolarHBondContact O-N 2.65Å |
| 31 | D | 79.5 | Confident | 77.3 | Confident | 119 Ų | 119 | 113.3 Ų | 113.3 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | trans | -83.7 | 59.3 | 175.6 | -71.8 | -31.8 | 0 | 0 | 0 | 112.3 | D33 A34 I35 | D31-D33 VanDerWaalsContact C-N 3.26Å; D31-D33 PolarHBondContact O-N 3.49Å; D31-A34 HydrophobicContact CB-CB 3.99Å; D31-A34 PolarHBondContact O-N 2.95Å; D31-A34 VanDerWaalsContact O-N 3.11Å; D31-I35 PolarHBondContact O-N 3.31Å | ||
| 32 | L | 78.1 | Confident | 78.1 | Confident | 115 Ų | 115 | 108.9 Ų | 108.9 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -55.1 | -40.1 | -178.3 | -173.6 | 68.4 | 0 | 0 | 0 | 112.7 | E30 A34 I35 T36 | E30-L32 VanDerWaalsContact C-N 3.25Å; E30-L32 PolarHBondContact O-N 2.65Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.35Å; L32-I35 PolarHBondContact O-N 2.84Å; L32-T36 PolarHBondContact O-N 3.29Å; L32-T36 PolarHBondContact O-OG1 2.86Å |
| 33 | D | 84.4 | Confident | 79 | Confident | 133 Ų | 133 | 108.8 Ų | 108.8 | 71% | 0.711 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.8 | -29.8 | -179.6 | -67.7 | -31.6 | 0 | 0 | 0 | 113.1 | D31 T36 Q37 | D31-D33 VanDerWaalsContact C-N 3.26Å; D31-D33 PolarHBondContact O-N 3.49Å; D33-T36 WeakPolarHBondContact CA-OG1 3.48Å; D33-T36 PolarHBondContact O-OG1 3.43Å; D33-Q37 WeakPolarHBondContact O-CB 3.3Å; D33-Q37 PolarHBondContact O-N 3Å; D33-Q37 VanDerWaalsContact O-N 3.09Å |
| 34 | A | 84.2 | Confident | 80 | Confident | 56 Ų | 56 | 108.7 Ų | 108.7 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.9 | -36.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D31 L32 L38 | D31-A34 HydrophobicContact CB-CB 3.99Å; D31-A34 PolarHBondContact O-N 2.95Å; D31-A34 VanDerWaalsContact O-N 3.11Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.35Å; A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.35Å; A34-L38 PolarHBondContact O-N 2.95Å |
| 35 | I | 86 | Confident | 81.2 | Confident | 68 Ų | 68 | 105.3 Ų | 105.3 | 35% | 0.349 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 176.5 | -63 | 171.7 | 0 | 0 | 0 | 110.7 | D31 L32 L38 L39 | D31-I35 PolarHBondContact O-N 3.31Å; L32-I35 PolarHBondContact O-N 2.84Å; I35-L38 PolarHBondContact O-N 3.16Å; I35-L39 HydrophobicContact CG2-CD1 3.98Å; I35-L39 HydrophobicContact CG2-CG 4.47Å; I35-L39 WeakPolarHBondContact O-CB 3.49Å; I35-L39 VanDerWaalsContact O-CG 3.25Å; I35-L39 WeakPolarHBondContact O-CG 3.45Å; I35-L39 PolarHBondContact O-N 3.15Å |
| 36 | T | 85.9 | Confident | 82.8 | Confident | 71 Ų | 71 | 105.2 Ų | 105.2 | 44% | 0.436 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | L32 D33 L38 L39 E40 | L32-T36 PolarHBondContact O-N 3.29Å; L32-T36 PolarHBondContact O-OG1 2.86Å; D33-T36 WeakPolarHBondContact CA-OG1 3.48Å; D33-T36 PolarHBondContact O-OG1 3.43Å; T36-L38 PolarHBondContact O-N 2.86Å; T36-L39 PolarHBondContact O-N 3.1Å; T36-E40 PolarHBondContact O-N 2.77Å |
| 37 | Q | 88 | Confident | 84.2 | Confident | 142 Ų | 142 | 106.6 Ų | 106.6 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 175.2 | -171.4 | 176.7 | 20 | 0 | 0 | 112 | D33 L39 E40 E41 | D33-Q37 WeakPolarHBondContact O-CB 3.3Å; D33-Q37 PolarHBondContact O-N 3Å; D33-Q37 VanDerWaalsContact O-N 3.09Å; Q37-L39 VanDerWaalsContact C-N 3.34Å; Q37-L39 PolarHBondContact O-N 3.37Å; Q37-E40 PolarHBondContact O-N 3.15Å; Q37-E41 PolarHBondContact O-N 3.29Å |
| 38 | L | 89.9 | Confident | 85.8 | Confident | 99 Ų | 99 | 105 Ų | 105 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 176.2 | -174.8 | 67.8 | 0 | 0 | 0 | 112.2 | A34 I35 T36 K42 | A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.35Å; A34-L38 PolarHBondContact O-N 2.95Å; I35-L38 PolarHBondContact O-N 3.16Å; T36-L38 PolarHBondContact O-N 2.86Å; L38-K42 WeakPolarHBondContact O-CB 3.39Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 3.34Å |
| 39 | L | 90.7 | Very high | 87.4 | Confident | 113 Ų | 113 | 103.5 Ų | 103.5 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.4 | -39.2 | 174.4 | -76 | 169.3 | 0 | 0 | 0 | 112.1 | I35 T36 Q37 K42 Q43 | I35-L39 HydrophobicContact CG2-CD1 3.98Å; I35-L39 HydrophobicContact CG2-CG 4.47Å; I35-L39 WeakPolarHBondContact O-CB 3.49Å; I35-L39 VanDerWaalsContact O-CG 3.25Å; I35-L39 WeakPolarHBondContact O-CG 3.45Å; I35-L39 PolarHBondContact O-N 3.15Å; T36-L39 PolarHBondContact O-N 3.1Å; Q37-L39 VanDerWaalsContact C-N 3.34Å; Q37-L39 PolarHBondContact O-N 3.37Å; L39-K42 PolarHBondContact O-N 3.13Å; L39-Q43 WeakPolarHBondContact O-CB 3.26Å; L39-Q43 PolarHBondContact O-N 3.42Å |
| 40 | E | 91.8 | Very high | 89 | Confident | 140 Ų | 140 | 98.9 Ų | 98.9 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 174.3 | -171.7 | 174 | -166.3 | 0 | 0 | 111.1 | T36 Q37 K42 Q43 T44 | T36-E40 PolarHBondContact O-N 2.77Å; Q37-E40 PolarHBondContact O-N 3.15Å; E40-K42 VanDerWaalsContact C-N 3.34Å; E40-K42 PolarHBondContact O-N 2.89Å; E40-Q43 WeakPolarHBondContact O-CB 3.27Å; E40-Q43 PolarHBondContact O-N 2.74Å; E40-Q43 VanDerWaalsContact O-N 3.14Å; E40-T44 WeakPolarHBondContact O-CG2 3.4Å; E40-T44 PolarHBondContact O-N 3.3Å |
| 41 | E | 91.8 | Very high | 90.6 | Very high | 104 Ų | 104 | 97.8 Ų | 97.8 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.7 | -47.5 | 173.6 | -173.7 | -176.6 | -166.1 | 0 | 0 | 111.1 | Q37 Q43 T44 D45 | Q37-E41 PolarHBondContact O-N 3.29Å; E41-Q43 VanDerWaalsContact C-N 3.31Å; E41-Q43 PolarHBondContact O-N 3.41Å; E41-T44 PolarHBondContact O-N 2.79Å; E41-T44 VanDerWaalsContact O-N 3.08Å; E41-T44 PolarHBondContact O-OG1 3.09Å; E41-D45 PolarHBondContact O-N 3.39Å |
| 42 | K | 94.1 | Very high | 91.3 | Very high | 95 Ų | 95 | 96.3 Ų | 96.3 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -32 | 177.8 | -71.3 | -77.1 | 151.6 | -89.3 | 0 | 113.1 | L38 L39 E40 D45 L46 | L38-K42 WeakPolarHBondContact O-CB 3.39Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 3.34Å; L39-K42 PolarHBondContact O-N 3.13Å; E40-K42 VanDerWaalsContact C-N 3.34Å; E40-K42 PolarHBondContact O-N 2.89Å; K42-D45 IonicContact NZ-OD2 2.91Å; K42-D45 PolarHBondContact NZ-OD2 2.74Å; K42-L46 WeakPolarHBondContact O-CB 3.44Å; K42-L46 VanDerWaalsContact O-CG 3.28Å; K42-L46 WeakPolarHBondContact O-CG 3.39Å; K42-L46 PolarHBondContact O-N 3.04Å |
| 43 | Q | 93.3 | Very high | 92.1 | Very high | 99 Ų | 99 | 92.1 Ų | 92.1 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 170.9 | 175.7 | 58.7 | 28.1 | 0 | 0 | 111.1 | L39 E40 E41 L46 E47 | L39-Q43 WeakPolarHBondContact O-CB 3.26Å; L39-Q43 PolarHBondContact O-N 3.42Å; E40-Q43 WeakPolarHBondContact O-CB 3.27Å; E40-Q43 PolarHBondContact O-N 2.74Å; E40-Q43 VanDerWaalsContact O-N 3.14Å; E41-Q43 VanDerWaalsContact C-N 3.31Å; E41-Q43 PolarHBondContact O-N 3.41Å; Q43-L46 PolarHBondContact O-N 3.45Å; Q43-E47 PolarHBondContact NE2-OE1 2.93Å; Q43-E47 PolarHBondContact O-N 2.69Å |
| 44 | T | 93.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 93.6 Ų | 93.6 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 175.4 | 67.7 | 0 | 0 | 0 | 0 | 113 | E40 E41 E47 L48 | E40-T44 WeakPolarHBondContact O-CG2 3.4Å; E40-T44 PolarHBondContact O-N 3.3Å; E41-T44 PolarHBondContact O-N 2.79Å; E41-T44 VanDerWaalsContact O-N 3.08Å; E41-T44 PolarHBondContact O-OG1 3.09Å; T44-E47 PolarHBondContact O-N 3.05Å; T44-L48 WeakPolarHBondContact O-CB 3.25Å; T44-L48 PolarHBondContact O-N 3.45Å |
| 45 | D | 97.3 | Very high | 93.2 | Very high | 73 Ų | 73 | 94.8 Ų | 94.8 | 39% | 0.39 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 172.1 | -86.7 | -20.5 | 0 | 0 | 0 | 111.4 | E41 K42 L48 A49 | E41-D45 PolarHBondContact O-N 3.39Å; K42-D45 IonicContact NZ-OD2 2.91Å; K42-D45 PolarHBondContact NZ-OD2 2.74Å; D45-L48 PolarHBondContact O-N 3.31Å; D45-A49 WeakPolarHBondContact O-CB 3.31Å; D45-A49 PolarHBondContact O-N 3.45Å |
| 46 | L | 95.1 | Very high | 93.6 | Very high | 116 Ų | 116 | 96.6 Ų | 96.6 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 178.4 | -76.5 | 168.9 | 0 | 0 | 0 | 111.7 | K42 Q43 A49 A50 | K42-L46 WeakPolarHBondContact O-CB 3.44Å; K42-L46 VanDerWaalsContact O-CG 3.28Å; K42-L46 WeakPolarHBondContact O-CG 3.39Å; K42-L46 PolarHBondContact O-N 3.04Å; Q43-L46 PolarHBondContact O-N 3.45Å; L46-A49 PolarHBondContact O-N 2.85Å; L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 2.84Å |
| 47 | E | 95 | Very high | 94.1 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 173.9 | -77.1 | -174.4 | -151.2 | 0 | 0 | 113 | Q43 T44 A50 K51 | Q43-E47 PolarHBondContact NE2-OE1 2.93Å; Q43-E47 PolarHBondContact O-N 2.69Å; T44-E47 PolarHBondContact O-N 3.05Å; E47-A50 PolarHBondContact O-N 2.84Å; E47-K51 WeakPolarHBondContact O-CB 3.15Å; E47-K51 WeakPolarHBondContact O-CD 3.47Å; E47-K51 VanDerWaalsContact O-CG 3.22Å; E47-K51 WeakPolarHBondContact O-CG 3.44Å; E47-K51 PolarHBondContact O-N 3.17Å; E47-K51 IonicContact OE2-NZ 4Å; E47-K51 PolarHBondContact OE2-NZ 2.92Å; E47-K51 VanDerWaalsContact OE2-NZ 3.13Å |
| 48 | L | 96.1 | Very high | 94.3 | Very high | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 176 | -178 | 62 | 0 | 0 | 0 | 110.7 | T44 D45 A50 K51 I52 | T44-L48 WeakPolarHBondContact O-CB 3.25Å; T44-L48 PolarHBondContact O-N 3.45Å; D45-L48 PolarHBondContact O-N 3.31Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 3.23Å; L48-K51 PolarHBondContact O-N 2.94Å; L48-I52 HydrophobicContact CD1-CD1 4.09Å; L48-I52 HydrophobicContact CD1-CG1 4.33Å; L48-I52 HydrophobicContact CG-CD1 3.88Å; L48-I52 WeakPolarHBondContact O-CB 3.38Å; L48-I52 VanDerWaalsContact O-CG1 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.44Å; L48-I52 PolarHBondContact O-N 3.46Å |
| 49 | A | 96.4 | Very high | 94.7 | Very high | 60 Ų | 60 | 96.2 Ų | 96.2 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D45 L46 I52 G53 | D45-A49 WeakPolarHBondContact O-CB 3.31Å; D45-A49 PolarHBondContact O-N 3.45Å; L46-A49 PolarHBondContact O-N 2.85Å; A49-I52 PolarHBondContact O-N 3.13Å; A49-G53 PolarHBondContact O-N 2.96Å |
| 50 | A | 94.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 94.9 Ų | 94.9 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L46 E47 L48 G53 K54 | L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 2.84Å; E47-A50 PolarHBondContact O-N 2.84Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 3.23Å; A50-G53 PolarHBondContact O-N 2.82Å; A50-K54 WeakPolarHBondContact O-CB 3.48Å; A50-K54 PolarHBondContact O-N 2.76Å |
| 51 | K | 96.5 | Very high | 95 | Very high | 127 Ų | 127 | 94 Ų | 94 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 175.3 | -73.8 | 160.8 | -172.8 | 154.6 | 0 | 111.5 | E47 L48 K54 N55 | E47-K51 WeakPolarHBondContact O-CB 3.15Å; E47-K51 WeakPolarHBondContact O-CD 3.47Å; E47-K51 VanDerWaalsContact O-CG 3.22Å; E47-K51 WeakPolarHBondContact O-CG 3.44Å; E47-K51 PolarHBondContact O-N 3.17Å; E47-K51 IonicContact OE2-NZ 4Å; E47-K51 PolarHBondContact OE2-NZ 2.92Å; E47-K51 VanDerWaalsContact OE2-NZ 3.13Å; L48-K51 PolarHBondContact O-N 2.94Å; K51-K54 PolarHBondContact O-N 3.19Å; K51-N55 WeakPolarHBondContact O-CB 3.4Å; K51-N55 PolarHBondContact O-N 3.48Å |
| 52 | I | 94.7 | Very high | 95.2 | Very high | 89 Ų | 89 | 93 Ų | 93 | 46% | 0.456 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.2 | -69 | 168.9 | 0 | 0 | 0 | 110.5 | L48 A49 K54 N55 L56 | L48-I52 HydrophobicContact CD1-CD1 4.09Å; L48-I52 HydrophobicContact CD1-CG1 4.33Å; L48-I52 HydrophobicContact CG-CD1 3.88Å; L48-I52 WeakPolarHBondContact O-CB 3.38Å; L48-I52 VanDerWaalsContact O-CG1 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.44Å; L48-I52 PolarHBondContact O-N 3.46Å; A49-I52 PolarHBondContact O-N 3.13Å; I52-K54 PolarHBondContact O-N 2.96Å; I52-N55 PolarHBondContact O-N 3.46Å; I52-L56 HydrophobicContact CG2-CD1 3.79Å; I52-L56 HydrophobicContact CG2-CG 4.34Å; I52-L56 WeakPolarHBondContact O-CB 3.22Å; I52-L56 WeakPolarHBondContact O-CG 3.37Å; I52-L56 PolarHBondContact O-N 2.93Å |
| 53 | G | 95.4 | Very high | 95.2 | Very high | 27 Ų | 27 | 93.3 Ų | 93.3 | 28% | 0.278 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A49 A50 N55 L56 L57 | A49-G53 PolarHBondContact O-N 2.96Å; A50-G53 PolarHBondContact O-N 2.82Å; G53-N55 PolarHBondContact O-N 3.19Å; G53-L56 PolarHBondContact O-N 2.76Å; G53-L57 WeakPolarHBondContact O-CB 3.31Å; G53-L57 VanDerWaalsContact O-CG 3.3Å; G53-L57 WeakPolarHBondContact O-CG 3.34Å; G53-L57 PolarHBondContact O-N 3.04Å |
| 54 | K | 95.1 | Very high | 95.3 | Very high | 164 Ų | 164 | 93.5 Ų | 93.5 | 71% | 0.713 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 174.6 | -172.9 | 175.9 | -179.4 | 177.9 | 0 | 112.3 | A50 K51 I52 A58 | A50-K54 WeakPolarHBondContact O-CB 3.48Å; A50-K54 PolarHBondContact O-N 2.76Å; K51-K54 PolarHBondContact O-N 3.19Å; I52-K54 PolarHBondContact O-N 2.96Å; K54-A58 WeakPolarHBondContact O-CB 3.31Å; K54-A58 PolarHBondContact O-N 2.86Å |
| 55 | N | 95.5 | Very high | 95.4 | Very high | 80 Ų | 80 | 92.4 Ų | 92.4 | 43% | 0.428 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 177 | -168.5 | -96.1 | 0 | 0 | 0 | 112.4 | K51 I52 G53 A58 K59 | K51-N55 WeakPolarHBondContact O-CB 3.4Å; K51-N55 PolarHBondContact O-N 3.48Å; I52-N55 PolarHBondContact O-N 3.46Å; G53-N55 PolarHBondContact O-N 3.19Å; N55-A58 PolarHBondContact O-N 3.28Å; N55-K59 WeakPolarHBondContact O-CB 3.38Å; N55-K59 WeakPolarHBondContact O-CG 3.5Å; N55-K59 PolarHBondContact O-N 3.22Å; N55-K59 WeakPolarHBondContact OD1-CE 3.32Å; N55-K59 PolarHBondContact OD1-NZ 3.47Å |
| 56 | L | 95.8 | Very high | 95.3 | Very high | 107 Ų | 107 | 96.2 Ų | 96.2 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -44.2 | 174.6 | -75.8 | 168.2 | 0 | 0 | 0 | 111.6 | I52 G53 K59 N60 | I52-L56 HydrophobicContact CG2-CD1 3.79Å; I52-L56 HydrophobicContact CG2-CG 4.34Å; I52-L56 WeakPolarHBondContact O-CB 3.22Å; I52-L56 WeakPolarHBondContact O-CG 3.37Å; I52-L56 PolarHBondContact O-N 2.93Å; G53-L56 PolarHBondContact O-N 2.76Å; L56-K59 PolarHBondContact O-N 2.97Å; L56-N60 WeakPolarHBondContact O-CB 3.38Å; L56-N60 PolarHBondContact O-N 3.48Å |
| 57 | L | 94.8 | Very high | 95.3 | Very high | 127 Ų | 127 | 95.5 Ų | 95.5 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 175.4 | -73 | 170.4 | 0 | 0 | 0 | 111.8 | G53 K59 N60 H61 | G53-L57 WeakPolarHBondContact O-CB 3.31Å; G53-L57 VanDerWaalsContact O-CG 3.3Å; G53-L57 WeakPolarHBondContact O-CG 3.34Å; G53-L57 PolarHBondContact O-N 3.04Å; L57-K59 PolarHBondContact O-N 3.1Å; L57-N60 PolarHBondContact O-N 2.81Å; L57-H61 WeakPolarHBondContact O-CB 3.42Å; L57-H61 PolarHBondContact O-N 2.74Å |
| 58 | A | 94.1 | Very high | 95.4 | Very high | 60 Ų | 60 | 96.8 Ų | 96.8 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K54 N55 H61 D62 | K54-A58 WeakPolarHBondContact O-CB 3.31Å; K54-A58 PolarHBondContact O-N 2.86Å; N55-A58 PolarHBondContact O-N 3.28Å; A58-H61 PolarHBondContact O-N 3.13Å; A58-D62 PolarHBondContact O-N 3.18Å |
| 59 | K | 96.4 | Very high | 95.3 | Very high | 117 Ų | 117 | 96.6 Ų | 96.6 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 173.2 | -78.8 | 170.5 | 173.8 | 158.9 | 0 | 112.5 | N55 L56 L57 H61 D62 L63 | N55-K59 WeakPolarHBondContact O-CB 3.38Å; N55-K59 WeakPolarHBondContact O-CG 3.5Å; N55-K59 PolarHBondContact O-N 3.22Å; N55-K59 WeakPolarHBondContact OD1-CE 3.32Å; N55-K59 PolarHBondContact OD1-NZ 3.47Å; L56-K59 PolarHBondContact O-N 2.97Å; L57-K59 PolarHBondContact O-N 3.1Å; K59-H61 VanDerWaalsContact C-N 3.34Å; K59-D62 PolarHBondContact O-N 2.87Å; K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 VanDerWaalsContact O-CG 3.25Å; K59-L63 WeakPolarHBondContact O-CG 3.5Å; K59-L63 PolarHBondContact O-N 3.04Å |
| 60 | N | 93.7 | Very high | 95.2 | Very high | 84 Ų | 84 | 97.7 Ų | 97.7 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 176.9 | -158.3 | -62 | 0 | 0 | 0 | 110.4 | L56 L57 L63 Q64 | L56-N60 WeakPolarHBondContact O-CB 3.38Å; L56-N60 PolarHBondContact O-N 3.48Å; L57-N60 PolarHBondContact O-N 2.81Å; N60-L63 PolarHBondContact O-N 3.5Å; N60-Q64 WeakPolarHBondContact O-CB 3.45Å; N60-Q64 VanDerWaalsContact O-CG 3.27Å; N60-Q64 WeakPolarHBondContact O-CG 3.47Å; N60-Q64 PolarHBondContact O-N 3.27Å; N60-Q64 PolarHBondContact OD1-NE2 3.33Å |
| 61 | H | 95.7 | Very high | 95.3 | Very high | 121 Ų | 121 | 99 Ų | 99 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -38 | 175.3 | -170.6 | 56.3 | 0 | 0 | 0 | 113.4 | L57 A58 K59 Q64 S65 | L57-H61 WeakPolarHBondContact O-CB 3.42Å; L57-H61 PolarHBondContact O-N 2.74Å; A58-H61 PolarHBondContact O-N 3.13Å; K59-H61 VanDerWaalsContact C-N 3.34Å; H61-Q64 PolarHBondContact O-N 2.84Å; H61-S65 WeakPolarHBondContact O-CB 3.34Å; H61-S65 PolarHBondContact O-N 3.15Å; H61-S65 PolarHBondContact O-OG 3.39Å |
| 62 | D | 95.5 | Very high | 95.2 | Very high | 85 Ų | 85 | 98.6 Ų | 98.6 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 169.7 | 178.5 | 76.3 | 0 | 0 | 0 | 111.2 | A58 K59 Q64 S65 R66 | A58-D62 PolarHBondContact O-N 3.18Å; K59-D62 PolarHBondContact O-N 2.87Å; D62-Q64 PolarHBondContact O-N 2.94Å; D62-S65 PolarHBondContact O-N 3.06Å; D62-R66 WeakPolarHBondContact O-CB 3.3Å; D62-R66 VanDerWaalsContact O-CG 3.24Å; D62-R66 WeakPolarHBondContact O-CG 3.37Å; D62-R66 PolarHBondContact O-N 3.5Å; D62-R66 VanDerWaalsContact OD2-CD 3.22Å; D62-R66 WeakPolarHBondContact OD2-CD 3.44Å; D62-R66 IonicContact OD2-NH1 3.75Å |
| 63 | L | 95.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 97.3 Ų | 97.3 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.9 | -72.8 | 171.1 | 0 | 0 | 0 | 112.3 | K59 N60 R66 L67 | K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 VanDerWaalsContact O-CG 3.25Å; K59-L63 WeakPolarHBondContact O-CG 3.5Å; K59-L63 PolarHBondContact O-N 3.04Å; N60-L63 PolarHBondContact O-N 3.5Å; L63-R66 PolarHBondContact O-N 2.97Å; L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 PolarHBondContact O-N 3.48Å |
| 64 | Q | 95.9 | Very high | 95.2 | Very high | 102 Ų | 102 | 100.7 Ų | 100.7 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 173.7 | -74.9 | 174.6 | 13.2 | 0 | 0 | 111.6 | N60 H61 D62 R66 L67 L68 | N60-Q64 WeakPolarHBondContact O-CB 3.45Å; N60-Q64 VanDerWaalsContact O-CG 3.27Å; N60-Q64 WeakPolarHBondContact O-CG 3.47Å; N60-Q64 PolarHBondContact O-N 3.27Å; N60-Q64 PolarHBondContact OD1-NE2 3.33Å; H61-Q64 PolarHBondContact O-N 2.84Å; D62-Q64 PolarHBondContact O-N 2.94Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.02Å; Q64-L67 PolarHBondContact O-N 2.76Å; Q64-L68 WeakPolarHBondContact O-CG 3.47Å; Q64-L68 PolarHBondContact O-N 2.98Å |
| 65 | S | 94.1 | Very high | 95.2 | Very high | 55 Ų | 55 | 97.4 Ų | 97.4 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | H61 D62 E69 | H61-S65 WeakPolarHBondContact O-CB 3.34Å; H61-S65 PolarHBondContact O-N 3.15Å; H61-S65 PolarHBondContact O-OG 3.39Å; D62-S65 PolarHBondContact O-N 3.06Å; S65-E69 WeakPolarHBondContact O-CB 3.45Å; S65-E69 PolarHBondContact O-N 3.47Å |
| 66 | R | 96.7 | Very high | 95.1 | Very high | 153 Ų | 153 | 95.8 Ų | 95.8 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.5 | -38.8 | 174.3 | -72.3 | 172.3 | 62.5 | -178.6 | -1.2 | 112.3 | D62 L63 Q64 E69 T70 | D62-R66 WeakPolarHBondContact O-CB 3.3Å; D62-R66 VanDerWaalsContact O-CG 3.24Å; D62-R66 WeakPolarHBondContact O-CG 3.37Å; D62-R66 PolarHBondContact O-N 3.5Å; D62-R66 VanDerWaalsContact OD2-CD 3.22Å; D62-R66 WeakPolarHBondContact OD2-CD 3.44Å; D62-R66 IonicContact OD2-NH1 3.75Å; L63-R66 PolarHBondContact O-N 2.97Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.02Å; R66-E69 PolarHBondContact O-N 2.82Å; R66-T70 WeakPolarHBondContact O-CG2 3.46Å; R66-T70 PolarHBondContact O-N 2.94Å; R66-T70 PolarHBondContact O-OG1 2.9Å; R66-T70 VanDerWaalsContact O-OG1 3.08Å |
| 67 | L | 94.8 | Very high | 95 | Very high | 102 Ų | 102 | 97.7 Ų | 97.7 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -52.9 | 175.7 | -167.9 | 164.7 | 0 | 0 | 0 | 109.8 | L63 Q64 E69 T70 E71 | L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 PolarHBondContact O-N 3.48Å; Q64-L67 PolarHBondContact O-N 2.76Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 3.39Å; L67-T70 WeakPolarHBondContact CA-OG1 3.33Å; L67-T70 CarbonylContact O-C 3.59Å; L67-T70 PolarHBondContact O-N 3.05Å; L67-T70 VanDerWaalsContact O-N 3.08Å; L67-T70 PolarHBondContact O-OG1 2.96Å; L67-E71 WeakPolarHBondContact O-CB 3.47Å; L67-E71 PolarHBondContact O-N 2.86Å |
| 68 | L | 95.9 | Very high | 95.1 | Very high | 111 Ų | 111 | 95.7 Ų | 95.7 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57 | -41.5 | 176.5 | -72.2 | 171.2 | 0 | 0 | 0 | 112.5 | Q64 E71 K72 | Q64-L68 WeakPolarHBondContact O-CG 3.47Å; Q64-L68 PolarHBondContact O-N 2.98Å; L68-E71 PolarHBondContact O-N 3.22Å; L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.37Å; L68-K72 PolarHBondContact O-N 3.39Å |
| 69 | E | 95.7 | Very high | 95.2 | Very high | 91 Ų | 91 | 99.7 Ų | 99.7 | 43% | 0.425 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.8 | -174.1 | 57.3 | -148.1 | 0 | 0 | 111.5 | S65 R66 L67 K72 N73 | S65-E69 WeakPolarHBondContact O-CB 3.45Å; S65-E69 PolarHBondContact O-N 3.47Å; R66-E69 PolarHBondContact O-N 2.82Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 3.39Å; E69-K72 IonicContact OE2-NZ 3.23Å; E69-N73 WeakPolarHBondContact O-CB 3.42Å; E69-N73 PolarHBondContact O-N 2.94Å; E69-N73 PolarHBondContact O-ND2 3.38Å; E69-N73 PolarHBondContact OE1-ND2 2.9Å |
| 70 | T | 93 | Very high | 95.2 | Very high | 84 Ų | 84 | 98.2 Ų | 98.2 | 52% | 0.515 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 173.7 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | R66 L67 N73 L74 | R66-T70 WeakPolarHBondContact O-CG2 3.46Å; R66-T70 PolarHBondContact O-N 2.94Å; R66-T70 PolarHBondContact O-OG1 2.9Å; R66-T70 VanDerWaalsContact O-OG1 3.08Å; L67-T70 WeakPolarHBondContact CA-OG1 3.33Å; L67-T70 CarbonylContact O-C 3.59Å; L67-T70 PolarHBondContact O-N 3.05Å; L67-T70 VanDerWaalsContact O-N 3.08Å; L67-T70 PolarHBondContact O-OG1 2.96Å; T70-N73 CarbonylContact O-C 3.57Å; T70-N73 PolarHBondContact O-N 3.25Å; T70-L74 WeakPolarHBondContact O-CG 3.37Å; T70-L74 PolarHBondContact O-N 3.5Å |
| 71 | E | 96.5 | Very high | 95.3 | Very high | 93 Ų | 93 | 98.3 Ų | 98.3 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -46.3 | 176.4 | -175.6 | 177.6 | -176.5 | 0 | 0 | 111 | L67 L68 N73 L74 N75 | L67-E71 WeakPolarHBondContact O-CB 3.47Å; L67-E71 PolarHBondContact O-N 2.86Å; L68-E71 PolarHBondContact O-N 3.22Å; E71-N73 VanDerWaalsContact C-N 3.31Å; E71-N73 PolarHBondContact O-N 3.34Å; E71-L74 PolarHBondContact O-N 3.46Å; E71-L74 VanDerWaalsContact O-N 3.09Å; E71-N75 VanDerWaalsContact O-CG 3.3Å; E71-N75 PolarHBondContact O-N 2.85Å; E71-N75 PolarHBondContact O-ND2 2.84Å |
| 72 | K | 95.3 | Very high | 95.2 | Very high | 118 Ų | 118 | 96.1 Ų | 96.1 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57 | -42.9 | 171.4 | -178.2 | -174.6 | 172.2 | -164.4 | 0 | 112.1 | L68 E69 L74 N75 A76 | L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.37Å; L68-K72 PolarHBondContact O-N 3.39Å; E69-K72 IonicContact OE2-NZ 3.23Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-N75 PolarHBondContact O-N 3.48Å; K72-A76 WeakPolarHBondContact O-CB 3.31Å; K72-A76 PolarHBondContact O-N 3.27Å |
| 73 | N | 95.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 97.4 Ų | 97.4 | 33% | 0.332 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74 | -19 | 177.1 | -78.2 | -68.1 | 0 | 0 | 0 | 113.9 | E69 T70 E71 R77 | E69-N73 WeakPolarHBondContact O-CB 3.42Å; E69-N73 PolarHBondContact O-N 2.94Å; E69-N73 PolarHBondContact O-ND2 3.38Å; E69-N73 PolarHBondContact OE1-ND2 2.9Å; T70-N73 CarbonylContact O-C 3.57Å; T70-N73 PolarHBondContact O-N 3.25Å; E71-N73 VanDerWaalsContact C-N 3.31Å; E71-N73 PolarHBondContact O-N 3.34Å; N73-R77 VanDerWaalsContact O-CG 3.31Å; N73-R77 WeakPolarHBondContact O-CG 3.35Å; N73-R77 PolarHBondContact O-NH1 2.85Å |
| 74 | L | 93.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 97.4 Ų | 97.4 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -77.5 | -50.9 | 168.4 | -76.2 | 168 | 0 | 0 | 0 | 109.7 | T70 E71 K72 A76 R77 D78 | T70-L74 WeakPolarHBondContact O-CG 3.37Å; T70-L74 PolarHBondContact O-N 3.5Å; E71-L74 PolarHBondContact O-N 3.46Å; E71-L74 VanDerWaalsContact O-N 3.09Å; K72-L74 VanDerWaalsContact C-N 3.33Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 2.83Å; L74-R77 CarbonylContact O-C 3.52Å; L74-R77 WeakPolarHBondContact O-CA 3.49Å; L74-R77 WeakPolarHBondContact O-CB 3.32Å; L74-R77 PolarHBondContact O-N 3.34Å; L74-D78 PolarHBondContact O-N 3.25Å |
| 75 | N | 94.6 | Very high | 95.3 | Very high | 94 Ų | 94 | 96.8 Ų | 96.8 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55 | -42 | 177.4 | -67.6 | -22.2 | 0 | 0 | 0 | 112.4 | E71 K72 R77 D78 E79 | E71-N75 VanDerWaalsContact O-CG 3.3Å; E71-N75 PolarHBondContact O-N 2.85Å; E71-N75 PolarHBondContact O-ND2 2.84Å; K72-N75 PolarHBondContact O-N 3.48Å; N75-R77 PolarHBondContact O-N 3.37Å; N75-D78 PolarHBondContact O-N 3.48Å; N75-E79 PolarHBondContact O-N 2.83Å |
| 76 | A | 94.9 | Very high | 95.4 | Very high | 46 Ų | 46 | 99.5 Ų | 99.5 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -33.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K72 L74 V80 | K72-A76 WeakPolarHBondContact O-CB 3.31Å; K72-A76 PolarHBondContact O-N 3.27Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 2.83Å; A76-V80 WeakPolarHBondContact O-CG2 3.46Å; A76-V80 PolarHBondContact O-N 2.92Å |
| 77 | R | 93.4 | Very high | 95.3 | Very high | 148 Ų | 148 | 95.3 Ų | 95.3 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.7 | -39.1 | 173.4 | -74.1 | 179.3 | -175.9 | 101.5 | -5.3 | 111.4 | N73 L74 N75 E79 V80 I81 | N73-R77 VanDerWaalsContact O-CG 3.31Å; N73-R77 WeakPolarHBondContact O-CG 3.35Å; N73-R77 PolarHBondContact O-NH1 2.85Å; L74-R77 CarbonylContact O-C 3.52Å; L74-R77 WeakPolarHBondContact O-CA 3.49Å; L74-R77 WeakPolarHBondContact O-CB 3.32Å; L74-R77 PolarHBondContact O-N 3.34Å; N75-R77 PolarHBondContact O-N 3.37Å; R77-E79 VanDerWaalsContact C-N 3.33Å; R77-V80 PolarHBondContact O-N 2.71Å; R77-I81 WeakPolarHBondContact O-CB 3.42Å; R77-I81 VanDerWaalsContact O-CG1 3.27Å; R77-I81 WeakPolarHBondContact O-CG1 3.46Å; R77-I81 PolarHBondContact O-N 3.25Å |
| 78 | D | 97.1 | Very high | 95.2 | Very high | 84 Ų | 84 | 94.9 Ų | 94.9 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.8 | -34.3 | 177.5 | -71.7 | -23.3 | 0 | 0 | 0 | 111.9 | L74 N75 S82 | L74-D78 PolarHBondContact O-N 3.25Å; N75-D78 PolarHBondContact O-N 3.48Å; D78-S82 VanDerWaalsContact O-CB 3.27Å; D78-S82 WeakPolarHBondContact O-CB 3.29Å; D78-S82 PolarHBondContact O-N 2.91Å; D78-S82 PolarHBondContact O-OG 3.08Å |
| 79 | E | 95.7 | Very high | 95.2 | Very high | 145 Ų | 145 | 93 Ų | 93 | 68% | 0.678 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 169.9 | -174.3 | 174.6 | -165.5 | 0 | 0 | 111.4 | N75 R77 I81 S82 Q83 | N75-E79 PolarHBondContact O-N 2.83Å; R77-E79 VanDerWaalsContact C-N 3.33Å; E79-I81 PolarHBondContact O-N 2.84Å; E79-S82 PolarHBondContact O-N 3.24Å; E79-Q83 WeakPolarHBondContact O-CB 3.34Å; E79-Q83 PolarHBondContact O-N 3.49Å |
| 80 | V | 96.4 | Very high | 95.2 | Very high | 86 Ų | 86 | 92 Ų | 92 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | A76 R77 Q83 L84 | A76-V80 WeakPolarHBondContact O-CG2 3.46Å; A76-V80 PolarHBondContact O-N 2.92Å; R77-V80 PolarHBondContact O-N 2.71Å; V80-Q83 PolarHBondContact O-N 3.15Å; V80-L84 HydrophobicContact CG1-CD1 3.95Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CB 3.49Å; V80-L84 VanDerWaalsContact O-CG 3.3Å; V80-L84 WeakPolarHBondContact O-CG 3.45Å; V80-L84 PolarHBondContact O-N 3.31Å |
| 81 | I | 95.7 | Very high | 95.3 | Very high | 85 Ų | 85 | 94.1 Ų | 94.1 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.2 | -70.6 | 163.6 | 0 | 0 | 0 | 110.4 | R77 E79 Q83 L84 N85 | R77-I81 WeakPolarHBondContact O-CB 3.42Å; R77-I81 VanDerWaalsContact O-CG1 3.27Å; R77-I81 WeakPolarHBondContact O-CG1 3.46Å; R77-I81 PolarHBondContact O-N 3.25Å; E79-I81 PolarHBondContact O-N 2.84Å; I81-Q83 VanDerWaalsContact C-N 3.35Å; I81-Q83 PolarHBondContact O-N 3.09Å; I81-L84 PolarHBondContact O-N 3.37Å; I81-N85 WeakPolarHBondContact CG2-ND2 3.4Å; I81-N85 VanDerWaalsContact O-CB 3.31Å; I81-N85 WeakPolarHBondContact O-CB 3.3Å; I81-N85 PolarHBondContact O-N 2.97Å; I81-N85 PolarHBondContact O-ND2 3.32Å |
| 82 | S | 94.5 | Very high | 95.2 | Very high | 75 Ų | 75 | 93.7 Ų | 93.7 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | D78 E79 N85 H86 | D78-S82 VanDerWaalsContact O-CB 3.27Å; D78-S82 WeakPolarHBondContact O-CB 3.29Å; D78-S82 PolarHBondContact O-N 2.91Å; D78-S82 PolarHBondContact O-OG 3.08Å; E79-S82 PolarHBondContact O-N 3.24Å; S82-N85 PolarHBondContact O-N 2.91Å; S82-H86 WeakPolarHBondContact O-CB 3.27Å; S82-H86 PolarHBondContact O-N 3.47Å |
| 83 | Q | 95.9 | Very high | 95 | Very high | 112 Ų | 112 | 91.3 Ų | 91.3 | 52% | 0.523 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 176 | -178.3 | 61.4 | 1.9 | 0 | 0 | 111.8 | E79 V80 I81 H86 N87 | E79-Q83 WeakPolarHBondContact O-CB 3.34Å; E79-Q83 PolarHBondContact O-N 3.49Å; V80-Q83 PolarHBondContact O-N 3.15Å; I81-Q83 VanDerWaalsContact C-N 3.35Å; I81-Q83 PolarHBondContact O-N 3.09Å; Q83-H86 PolarHBondContact O-N 3.33Å; Q83-N87 PolarHBondContact NE2-ND2 3.4Å; Q83-N87 WeakPolarHBondContact O-CB 3.48Å; Q83-N87 PolarHBondContact O-N 3.34Å; Q83-N87 PolarHBondContact O-ND2 3.42Å |
| 84 | L | 95.6 | Very high | 94.8 | Very high | 102 Ų | 102 | 92.4 Ų | 92.4 | 53% | 0.534 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 175 | -74 | 171.8 | 0 | 0 | 0 | 111.7 | V80 I81 H86 N87 L88 | V80-L84 HydrophobicContact CG1-CD1 3.95Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CB 3.49Å; V80-L84 VanDerWaalsContact O-CG 3.3Å; V80-L84 WeakPolarHBondContact O-CG 3.45Å; V80-L84 PolarHBondContact O-N 3.31Å; I81-L84 PolarHBondContact O-N 3.37Å; L84-H86 PolarHBondContact O-N 3.49Å; L84-N87 PolarHBondContact O-N 3.21Å; L84-L88 WeakPolarHBondContact O-CB 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.37Å |
| 85 | N | 96.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 92.4 Ų | 92.4 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 174.8 | -73.9 | -23.6 | 0 | 0 | 0 | 112.1 | I81 S82 L88 T89 | I81-N85 WeakPolarHBondContact CG2-ND2 3.4Å; I81-N85 VanDerWaalsContact O-CB 3.31Å; I81-N85 WeakPolarHBondContact O-CB 3.3Å; I81-N85 PolarHBondContact O-N 2.97Å; I81-N85 PolarHBondContact O-ND2 3.32Å; S82-N85 PolarHBondContact O-N 2.91Å; N85-L88 PolarHBondContact O-N 3.19Å; N85-T89 WeakPolarHBondContact O-CB 3.43Å; N85-T89 PolarHBondContact O-N 3.28Å; N85-T89 PolarHBondContact O-OG1 2.98Å |
| 86 | H | 95.4 | Very high | 94.1 | Very high | 112 Ų | 112 | 94.9 Ų | 94.9 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 172.7 | 179 | 62.9 | 0 | 0 | 0 | 111.4 | S82 Q83 L84 L88 T89 V90 | S82-H86 WeakPolarHBondContact O-CB 3.27Å; S82-H86 PolarHBondContact O-N 3.47Å; Q83-H86 PolarHBondContact O-N 3.33Å; L84-H86 PolarHBondContact O-N 3.49Å; H86-L88 PolarHBondContact O-N 2.8Å; H86-T89 PolarHBondContact O-N 2.86Å; H86-V90 WeakPolarHBondContact O-CG2 3.31Å; H86-V90 PolarHBondContact O-N 3.12Å |
| 87 | N | 95.9 | Very high | 93.6 | Very high | 66 Ų | 66 | 97.1 Ų | 97.1 | 35% | 0.353 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 177.4 | -81.4 | -83.3 | 0 | 0 | 0 | 112.8 | Q83 L84 K91 | Q83-N87 PolarHBondContact NE2-ND2 3.4Å; Q83-N87 WeakPolarHBondContact O-CB 3.48Å; Q83-N87 PolarHBondContact O-N 3.34Å; Q83-N87 PolarHBondContact O-ND2 3.42Å; L84-N87 PolarHBondContact O-N 3.21Å; N87-K91 WeakPolarHBondContact O-CB 3.35Å; N87-K91 VanDerWaalsContact O-CG 3.29Å; N87-K91 WeakPolarHBondContact O-CG 3.48Å; N87-K91 PolarHBondContact O-N 3.19Å |
| 88 | L | 93.2 | Very high | 92.9 | Very high | 92 Ų | 92 | 95.6 Ų | 95.6 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 170.8 | -76.1 | 171.2 | 0 | 0 | 0 | 110.7 | L84 N85 H86 V90 K91 D92 | L84-L88 WeakPolarHBondContact O-CB 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.37Å; N85-L88 PolarHBondContact O-N 3.19Å; H86-L88 PolarHBondContact O-N 2.8Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 3Å; L88-K91 CarbonylContact O-C 3.59Å; L88-K91 WeakPolarHBondContact O-CA 3.38Å; L88-K91 WeakPolarHBondContact O-CB 3.5Å; L88-K91 PolarHBondContact O-N 3.18Å; L88-D92 VanDerWaalsContact O-CG 3.29Å; L88-D92 PolarHBondContact O-N 3.22Å |
| 89 | T | 94.9 | Very high | 92.2 | Very high | 72 Ų | 72 | 96.5 Ų | 96.5 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | N85 H86 N93 | N85-T89 WeakPolarHBondContact O-CB 3.43Å; N85-T89 PolarHBondContact O-N 3.28Å; N85-T89 PolarHBondContact O-OG1 2.98Å; H86-T89 PolarHBondContact O-N 2.86Å; T89-N93 WeakPolarHBondContact O-CB 3.45Å; T89-N93 PolarHBondContact O-N 2.77Å; T89-N93 PolarHBondContact O-ND2 3.45Å; T89-N93 VanDerWaalsContact O-ND2 3.1Å |
| 90 | V | 95 | Very high | 91.2 | Very high | 71 Ų | 71 | 98.3 Ų | 98.3 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | H86 L88 N93 L94 | H86-V90 WeakPolarHBondContact O-CG2 3.31Å; H86-V90 PolarHBondContact O-N 3.12Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 3Å; V90-N93 PolarHBondContact O-N 3.23Å; V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 PolarHBondContact O-N 3.49Å |
| 91 | K | 96 | Very high | 89.9 | Confident | 128 Ų | 128 | 98.3 Ų | 98.3 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 174.2 | -74.4 | 172.9 | -179.8 | -178.9 | 0 | 112 | N87 L88 N93 L94 L95 | N87-K91 WeakPolarHBondContact O-CB 3.35Å; N87-K91 VanDerWaalsContact O-CG 3.29Å; N87-K91 WeakPolarHBondContact O-CG 3.48Å; N87-K91 PolarHBondContact O-N 3.19Å; L88-K91 CarbonylContact O-C 3.59Å; L88-K91 WeakPolarHBondContact O-CA 3.38Å; L88-K91 WeakPolarHBondContact O-CB 3.5Å; L88-K91 PolarHBondContact O-N 3.18Å; K91-N93 VanDerWaalsContact C-N 3.35Å; K91-N93 PolarHBondContact O-N 3.09Å; K91-L94 PolarHBondContact O-N 2.93Å; K91-L95 WeakPolarHBondContact O-CB 3.32Å; K91-L95 VanDerWaalsContact O-CG 3.3Å; K91-L95 WeakPolarHBondContact O-CG 3.4Å; K91-L95 PolarHBondContact O-N 3.14Å |
| 92 | D | 95.1 | Very high | 88.5 | Confident | 83 Ų | 83 | 96.9 Ų | 96.9 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 177.3 | -68 | -18.5 | 0 | 0 | 0 | 111.7 | L88 R96 | L88-D92 VanDerWaalsContact O-CG 3.29Å; L88-D92 PolarHBondContact O-N 3.22Å; D92-R96 VanDerWaalsContact O-CB 3.31Å; D92-R96 WeakPolarHBondContact O-CB 3.47Å; D92-R96 PolarHBondContact O-N 3.49Å |
| 93 | N | 91.2 | Very high | 86.7 | Confident | 68 Ų | 68 | 97.7 Ų | 97.7 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 173.5 | -72.5 | -27.7 | 0 | 0 | 0 | 111.8 | T89 V90 K91 R96 I97 | T89-N93 WeakPolarHBondContact O-CB 3.45Å; T89-N93 PolarHBondContact O-N 2.77Å; T89-N93 PolarHBondContact O-ND2 3.45Å; T89-N93 VanDerWaalsContact O-ND2 3.1Å; V90-N93 PolarHBondContact O-N 3.23Å; K91-N93 VanDerWaalsContact C-N 3.35Å; K91-N93 PolarHBondContact O-N 3.09Å; N93-R96 PolarHBondContact O-N 2.88Å; N93-R96 PolarHBondContact OD1-NH1 3.09Å; N93-R96 PolarHBondContact OD1-NH2 2.87Å; N93-I97 WeakPolarHBondContact O-CG1 3.38Å; N93-I97 PolarHBondContact O-N 2.75Å; N93-I97 VanDerWaalsContact O-N 3.13Å |
| 94 | L | 90.2 | Very high | 84.6 | Confident | 85 Ų | 85 | 99.4 Ų | 99.4 | 45% | 0.445 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 176.9 | -177.2 | 61.8 | 0 | 0 | 0 | 111.9 | V90 K91 R96 I97 F98 | V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 PolarHBondContact O-N 3.49Å; K91-L94 PolarHBondContact O-N 2.93Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.2Å; L94-I97 WeakPolarHBondContact O-CB 3.2Å; L94-I97 PolarHBondContact O-N 2.9Å; L94-I97 VanDerWaalsContact O-N 3.13Å; L94-F98 HydrophobicContact CD1-CD2 4.06Å; L94-F98 HydrophobicContact CD1-CE2 3.65Å; L94-F98 HydrophobicContact CD1-CZ 4.43Å; L94-F98 HydrophobicContact CD2-CE2 4.1Å; L94-F98 HydrophobicContact CG-CD2 3.87Å; L94-F98 HydrophobicContact CG-CE2 3.64Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 2.86Å |
| 95 | L | 86.3 | Confident | 82.8 | Confident | 98 Ų | 98 | 100.7 Ų | 100.7 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 172.2 | -74.2 | 171.1 | 0 | 0 | 0 | 111 | K91 I97 F98 L99 | K91-L95 WeakPolarHBondContact O-CB 3.32Å; K91-L95 VanDerWaalsContact O-CG 3.3Å; K91-L95 WeakPolarHBondContact O-CG 3.4Å; K91-L95 PolarHBondContact O-N 3.14Å; L95-I97 VanDerWaalsContact C-N 3.29Å; L95-I97 PolarHBondContact O-N 3.47Å; L95-F98 PolarHBondContact O-N 2.99Å; L95-L99 VanDerWaalsContact O-CB 3.31Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 WeakPolarHBondContact O-CG 3.38Å; L95-L99 PolarHBondContact O-N 3.33Å |
| 96 | R | 87.7 | Confident | 80.8 | Confident | 146 Ų | 146 | 99.4 Ų | 99.4 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.1 | -29.3 | 174.8 | -160.1 | -176.3 | -50.3 | 110 | 11.5 | 113 | D92 N93 L94 R100 | D92-R96 VanDerWaalsContact O-CB 3.31Å; D92-R96 WeakPolarHBondContact O-CB 3.47Å; D92-R96 PolarHBondContact O-N 3.49Å; N93-R96 PolarHBondContact O-N 2.88Å; N93-R96 PolarHBondContact OD1-NH1 3.09Å; N93-R96 PolarHBondContact OD1-NH2 2.87Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.2Å; R96-R100 VanDerWaalsContact O-CB 3.22Å; R96-R100 WeakPolarHBondContact O-CB 3.3Å; R96-R100 PolarHBondContact O-N 2.85Å; R96-R100 VanDerWaalsContact O-N 3.1Å |
| 97 | I | 84.7 | Confident | 78.7 | Confident | 93 Ų | 93 | 101 Ų | 101 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.6 | -50.5 | 170.9 | -66.2 | 163.4 | 0 | 0 | 0 | 109.5 | N93 L94 L95 L99 R100 D101 | N93-I97 WeakPolarHBondContact O-CG1 3.38Å; N93-I97 PolarHBondContact O-N 2.75Å; N93-I97 VanDerWaalsContact O-N 3.13Å; L94-I97 WeakPolarHBondContact O-CB 3.2Å; L94-I97 PolarHBondContact O-N 2.9Å; L94-I97 VanDerWaalsContact O-N 3.13Å; L95-I97 VanDerWaalsContact C-N 3.29Å; L95-I97 PolarHBondContact O-N 3.47Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 2.75Å; I97-R100 PolarHBondContact O-N 3.24Å; I97-R100 VanDerWaalsContact O-N 3.15Å; I97-D101 WeakPolarHBondContact O-CB 3.4Å; I97-D101 VanDerWaalsContact O-CG 3.3Å; I97-D101 PolarHBondContact O-N 2.88Å |
| 98 | F | 78.9 | Confident | 76.9 | Confident | 116 Ų | 116 | 104.4 Ų | 104.4 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 178.5 | -78.9 | -60.7 | 0 | 0 | 0 | 113.6 | L94 L95 D101 S102 | L94-F98 HydrophobicContact CD1-CD2 4.06Å; L94-F98 HydrophobicContact CD1-CE2 3.65Å; L94-F98 HydrophobicContact CD1-CZ 4.43Å; L94-F98 HydrophobicContact CD2-CE2 4.1Å; L94-F98 HydrophobicContact CG-CD2 3.87Å; L94-F98 HydrophobicContact CG-CE2 3.64Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 2.86Å; L95-F98 PolarHBondContact O-N 2.99Å; F98-D101 PolarHBondContact O-N 3.47Å; F98-S102 VanDerWaalsContact O-CB 3.25Å; F98-S102 WeakPolarHBondContact O-CB 3.37Å; F98-S102 PolarHBondContact O-N 3.46Å; F98-S102 PolarHBondContact O-OG 3.29Å |
| 99 | L | 80.9 | Confident | 74.8 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -51.6 | 171.3 | -79 | 159.6 | 0 | 0 | 0 | 110.1 | L95 I97 D101 S102 D103 | L95-L99 VanDerWaalsContact O-CB 3.31Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 WeakPolarHBondContact O-CG 3.38Å; L95-L99 PolarHBondContact O-N 3.33Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 2.75Å; L99-D101 PolarHBondContact O-N 3.37Å; L99-D101 VanDerWaalsContact O-N 3.16Å; L99-S102 CarbonylContact O-C 3.55Å; L99-S102 WeakPolarHBondContact O-CA 3.27Å; L99-S102 PolarHBondContact O-N 2.96Å; L99-D103 WeakPolarHBondContact O-CB 3.41Å; L99-D103 PolarHBondContact O-N 3.24Å |
| 100 | R | 75.1 | Confident | 72.5 | Confident | 183 Ų | 183 | 109.6 Ų | 109.6 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.7 | -32.2 | 177.5 | -175.3 | 177.1 | -176.5 | -177.1 | 1.6 | 114.2 | R96 I97 | R96-R100 VanDerWaalsContact O-CB 3.22Å; R96-R100 WeakPolarHBondContact O-CB 3.3Å; R96-R100 PolarHBondContact O-N 2.85Å; R96-R100 VanDerWaalsContact O-N 3.1Å; I97-R100 PolarHBondContact O-N 3.24Å; I97-R100 VanDerWaalsContact O-N 3.15Å |
| 101 | D | 70.1 | Confident | 70.3 | Confident | 86 Ų | 86 | 114 Ų | 114 | 46% | 0.46 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -80.2 | -26.4 | 175.4 | -66.5 | -14.9 | 0 | 0 | 0 | 111.8 | I97 F98 L99 | I97-D101 WeakPolarHBondContact O-CB 3.4Å; I97-D101 VanDerWaalsContact O-CG 3.3Å; I97-D101 PolarHBondContact O-N 2.88Å; F98-D101 PolarHBondContact O-N 3.47Å; L99-D101 PolarHBondContact O-N 3.37Å; L99-D101 VanDerWaalsContact O-N 3.16Å |
| 102 | S | 65.9 | Low | 68 | Low | 55 Ų | 55 | 117 Ų | 117 | 39% | 0.385 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -82.4 | -40.8 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | F98 L99 Q104 I105 T106 | F98-S102 VanDerWaalsContact O-CB 3.25Å; F98-S102 WeakPolarHBondContact O-CB 3.37Å; F98-S102 PolarHBondContact O-N 3.46Å; F98-S102 PolarHBondContact O-OG 3.29Å; L99-S102 CarbonylContact O-C 3.55Å; L99-S102 WeakPolarHBondContact O-CA 3.27Å; L99-S102 PolarHBondContact O-N 2.96Å; S102-Q104 PolarHBondContact O-N 3.41Å; S102-Q104 VanDerWaalsContact O-N 3.14Å; S102-I105 CarbonylContact O-C 3.56Å; S102-I105 WeakPolarHBondContact O-CA 3.3Å; S102-I105 WeakPolarHBondContact O-CB 3.41Å; S102-I105 PolarHBondContact O-N 2.9Å; S102-T106 WeakPolarHBondContact O-CG2 3.38Å; S102-T106 PolarHBondContact O-N 3.33Å; S102-T106 PolarHBondContact O-OG1 2.98Å |
| 103 | D | 56.5 | Low | 65.7 | Low | 92 Ų | 92 | 119.5 Ų | 119.5 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -54.9 | -31.6 | 173.7 | -60.8 | -17.8 | 0 | 0 | 0 | 110.5 | L99 I105 T106 | L99-D103 WeakPolarHBondContact O-CB 3.41Å; L99-D103 PolarHBondContact O-N 3.24Å; D103-I105 PolarHBondContact O-N 3.38Å; D103-T106 WeakPolarHBondContact CA-OG1 3.28Å |
| 104 | Q | 52.7 | Low | 63.5 | Low | 149 Ų | 149 | 122.2 Ų | 122.2 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77.2 | -3 | 176.1 | -140.8 | 166.7 | 124.5 | 0 | 0 | 114.2 | S102 | S102-Q104 PolarHBondContact O-N 3.41Å; S102-Q104 VanDerWaalsContact O-N 3.14Å |
| 105 | I | 56.5 | Low | 61.3 | Low | 128 Ų | 128 | 124.1 Ų | 124.1 | 66% | 0.656 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -119.8 | -25.9 | 178.9 | -61.2 | 173.2 | 0 | 0 | 0 | 110.6 | S102 D103 | S102-I105 CarbonylContact O-C 3.56Å; S102-I105 WeakPolarHBondContact O-CA 3.3Å; S102-I105 WeakPolarHBondContact O-CB 3.41Å; S102-I105 PolarHBondContact O-N 2.9Å; D103-I105 PolarHBondContact O-N 3.38Å |
| 106 | T | 54.2 | Low | 59.2 | Low | 62 Ų | 62 | 127.2 Ų | 127.2 | 38% | 0.38 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -88.7 | -3.5 | -175.4 | 53 | 0 | 0 | 0 | 0 | 115.9 | S102 D103 I108 N109 | S102-T106 WeakPolarHBondContact O-CG2 3.38Å; S102-T106 PolarHBondContact O-N 3.33Å; S102-T106 PolarHBondContact O-OG1 2.98Å; D103-T106 WeakPolarHBondContact CA-OG1 3.28Å; T106-I108 PolarHBondContact O-N 3.44Å; T106-N109 PolarHBondContact O-N 2.8Å; T106-N109 VanDerWaalsContact O-N 3.09Å |
| 107 | D | 51.6 | Low | 57 | Low | 145 Ų | 145 | 126 Ų | 126 | 78% | 0.775 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 7.1 | 169.9 | -91.2 | -15 | 0 | 0 | 0 | 115.3 | ||
| 108 | I | 57.4 | Low | 54.9 | Low | 138 Ų | 138 | 127.3 Ų | 127.3 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -19.7 | -176.7 | -59.3 | 179.3 | 0 | 0 | 0 | 112.8 | T106 | T106-I108 PolarHBondContact O-N 3.44Š|
| 109 | N | 50.2 | Low | 52.8 | Low | 135 Ų | 135 | 125 Ų | 125 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -143.6 | 52.4 | -169.1 | -56.5 | -75.5 | 0 | 0 | 0 | 115.9 | T106 D111 | T106-N109 PolarHBondContact O-N 2.8Å; T106-N109 VanDerWaalsContact O-N 3.09Å; N109-D111 PolarHBondContact O-N 2.76Å | ||
| 110 | D | 45.7 | Very low | 50.6 | Low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | -94.9 | 76.7 | 169.8 | -76.6 | -43.6 | 0 | 0 | 0 | 111.7 | ||||
| 111 | D | 50.4 | Low | 48.8 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 88% | 0.882 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -159.8 | 31.8 | 174.7 | -112.3 | -22.4 | 0 | 0 | 0 | 115.3 | N109 | N109-D111 PolarHBondContact O-N 2.76Š|
| 112 | E | 47.3 | Very low | 46.9 | Very low | 190 Ų | 190 | 128.9 Ų | 128.9 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -159.9 | 169.3 | 159 | -124.5 | -174 | -173.3 | 0 | 0 | 113.3 | ||
| 113 | V | 46.3 | Very low | 45.6 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | 74.2 | 74.2 | -178.7 | -163.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 114 | S | 44.6 | Very low | 44.5 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -134.8 | 18.9 | 169.5 | -151.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 115 | V | 44.6 | Very low | 43.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | trans | -140.2 | 155 | 180 | -171 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 116 | L | 42.1 | Very low | 42.5 | Very low | 163 Ų | 163 | 136 Ų | 136 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 78.4 | 105 | -167.7 | -44.3 | 177.1 | 0 | 0 | 0 | 111.5 | ||||
| 117 | S | 40.9 | Very low | 41.8 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | cis | -149 | 140.6 | 44.6 | -66.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 118 | S | 41.3 | Very low | 41 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -58.1 | 152.1 | 165 | -147.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 119 | G | 33.8 | Very low | 39.9 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | 89.1 | 86.2 | 25.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 120 | R | 36 | Very low | 39 | Very low | 251 Ų | 251 | 144 Ų | 144 | 95% | 0.947 | 82% | 0.823 | S | S | * | * | trans | -148.8 | 121.2 | 162.9 | -169.9 | 170.3 | 178.2 | -178.6 | -2 | 110.7 | ||||
| 121 | A | 37.1 | Very low | 38.5 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | trans | -102 | 156.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 122 | S | 29.5 | Very low | 37.7 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -72.2 | -178 | 152 | -43.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 123 | P | 39.7 | Very low | 37.3 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | cis | -141 | -162.5 | -0.1 | 26.1 | 1.8 | 0 | 0 | 0 | 114.2 | ||||
| 124 | V | 33 | Very low | 36.9 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | 77.1 | 116.7 | 155.4 | -166.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 125 | R | 32.6 | Very low | 36.6 | Very low | 248 Ų | 248 | 133 Ų | 133 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -145.2 | 112.8 | 136.7 | -167.8 | 170.1 | -174 | 161.5 | 1 | 110.7 | ||||
| 126 | S | 34.8 | Very low | 36.3 | Very low | 87 Ų | 87 | 131 Ų | 131 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | trans | -95.5 | 149.2 | 168.3 | 47.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 127 | Q | 39.8 | Very low | 36.1 | Very low | 191 Ų | 191 | 126.9 Ų | 126.9 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | 169.6 | 119.4 | 135.4 | -93.5 | 167.5 | 12.8 | 0 | 0 | 110.8 | ||||
| 128 | Q | 34.3 | Very low | 36.1 | Very low | 201 Ų | 201 | 129 Ų | 129 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -84.1 | 153.9 | 160.4 | -71.7 | 169.4 | -36.2 | 0 | 0 | 109.1 | ||||
| 129 | G | 33.8 | Very low | 35.9 | Very low | 78 Ų | 78 | 126.5 Ų | 126.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -170.3 | 71.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 130 | L | 32.1 | Very low | 36.4 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | trans | -109.6 | 98.7 | 167.5 | -81.7 | 170.5 | 0 | 0 | 0 | 109.6 | ||||
| 131 | S | 34.2 | Very low | 36.6 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -164.3 | 119.7 | 149.9 | -10.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 132 | S | 33.4 | Very low | 36.9 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 12 | 128.3 | 141.9 | 56.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 133 | S | 40.2 | Very low | 37.9 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | -179.8 | 137.9 | 103.1 | -167.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 134 | A | 37.3 | Very low | 38.4 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 37 | 121.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 135 | G | 38.6 | Very low | 39.3 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 168.8 | 105.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 136 | G | 38.2 | Very low | 40.6 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 78.1 | 123.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 137 | G | 38.2 | Very low | 42.7 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | 95.2 | 71.5 | 6.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 138 | D | 41.1 | Very low | 44.8 | Very low | 166 Ų | 166 | 118.4 Ų | 118.4 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -156.4 | 156.4 | 131.7 | -131.1 | -28.2 | 0 | 0 | 0 | 112.3 | ||||
| 139 | G | 36.7 | Very low | 47.1 | Very low | 66 Ų | 66 | 114.7 Ų | 114.7 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | -82.3 | 135.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 140 | F | 44.6 | Very low | 49.7 | Very low | 201 Ų | 201 | 115.9 Ų | 115.9 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | -114.6 | 116.6 | 164.4 | -85.5 | -87.1 | 0 | 0 | 0 | 111.2 | L142 | F140-L142 PolarHBondContact O-N 3.08Š| ||
| 141 | S | 40.4 | Very low | 52.3 | Low | 99 Ų | 99 | 113 Ų | 113 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | -65.2 | 113.4 | -179.9 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | S143 S144 | S141-S143 PolarHBondContact O-N 3.08Å; S141-S144 PolarHBondContact O-N 2.86Å | ||
| 142 | L | 42.5 | Very low | 55.1 | Low | 171 Ų | 171 | 113.7 Ų | 113.7 | 90% | 0.895 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -1.8 | -176.3 | -75.1 | 162.3 | 0 | 0 | 0 | 115.8 | F140 | F140-L142 PolarHBondContact O-N 3.08Š|
| 143 | S | 49.9 | Very low | 58 | Low | 117 Ų | 117 | 114.2 Ų | 114.2 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -10 | -176.5 | 52.5 | 0 | 0 | 0 | 0 | 115.2 | S141 | S141-S143 PolarHBondContact O-N 3.08Š|
| 144 | S | 50.1 | Low | 60.6 | Low | 92 Ų | 92 | 113 Ų | 113 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | trans | -99.8 | 10.1 | -178.1 | -168.2 | 0 | 0 | 0 | 0 | 114.1 | S141 N146 | S141-S144 PolarHBondContact O-N 2.86Å; S144-N146 PolarHBondContact O-N 3.43Å | ||
| 145 | V | 53.5 | Low | 63.3 | Low | 87 Ų | 87 | 109.6 Ų | 109.6 | 53% | 0.527 | 66% | 0.664 | S | S | . | * | trans | -76.8 | 92.9 | 174.2 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | F147 L150 | V145-F147 PolarHBondContact O-N 3.22Å; V145-F147 VanDerWaalsContact O-N 3.08Å; V145-L150 HydrophobicContact CG1-CD1 3.47Å; V145-L150 VanDerWaalsContact CG1-CD1 3.47Å; V145-L150 HydrophobicContact CG1-CD2 4.23Å; V145-L150 HydrophobicContact CG1-CG 3.56Å | ||
| 146 | N | 59.3 | Low | 66 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | trans | -50.3 | 117.2 | 178.2 | -73.3 | -44.3 | 0 | 0 | 0 | 110.4 | S144 A148 Q149 L150 | S144-N146 PolarHBondContact O-N 3.43Å; N146-A148 PolarHBondContact O-N 2.9Å; N146-A148 VanDerWaalsContact O-N 3.14Å; N146-Q149 HydrophobicContact CB-CB 3.89Å; N146-Q149 WeakPolarHBondContact O-CA 3.24Å; N146-Q149 WeakPolarHBondContact O-CB 3.37Å; N146-Q149 PolarHBondContact O-N 3.35Å; N146-L150 PolarHBondContact O-N 2.83Å; N146-L150 VanDerWaalsContact O-N 3.1Å | ||
| 147 | F | 78.4 | Confident | 68.7 | Low | 165 Ų | 165 | 109.9 Ų | 109.9 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -50.3 | -39.7 | 175.7 | 174.1 | -99.7 | 0 | 0 | 0 | 111.5 | V145 Q149 L150 H151 | V145-F147 PolarHBondContact O-N 3.22Å; V145-F147 VanDerWaalsContact O-N 3.08Å; F147-Q149 PolarHBondContact O-N 2.88Å; F147-L150 PolarHBondContact O-N 3.49Å; F147-H151 VanDerWaalsContact O-CB 3.3Å; F147-H151 WeakPolarHBondContact O-CB 3.22Å; F147-H151 PolarHBondContact O-N 3.48Å |
| 148 | A | 83.9 | Confident | 71.5 | Confident | 74 Ų | 74 | 111.3 Ų | 111.3 | 61% | 0.612 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.9 | -36.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N146 K152 | N146-A148 PolarHBondContact O-N 2.9Å; N146-A148 VanDerWaalsContact O-N 3.14Å; A148-K152 WeakPolarHBondContact O-CB 3.42Å; A148-K152 PolarHBondContact O-N 3.43Å |
| 149 | Q | 83 | Confident | 74 | Confident | 122 Ų | 122 | 109.4 Ų | 109.4 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.7 | -37.8 | 178.7 | -170.6 | 67.2 | 24.3 | 0 | 0 | 111.4 | N146 F147 K153 | N146-Q149 HydrophobicContact CB-CB 3.89Å; N146-Q149 WeakPolarHBondContact O-CA 3.24Å; N146-Q149 WeakPolarHBondContact O-CB 3.37Å; N146-Q149 PolarHBondContact O-N 3.35Å; F147-Q149 PolarHBondContact O-N 2.88Å; Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 PolarHBondContact O-N 2.81Å |
| 150 | L | 87.3 | Confident | 76.8 | Confident | 104 Ų | 104 | 111.2 Ų | 111.2 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.9 | -47.1 | 170.6 | -83.8 | 174.6 | 0 | 0 | 0 | 111.3 | V145 N146 F147 K152 K153 L154 | V145-L150 HydrophobicContact CG1-CD1 3.47Å; V145-L150 VanDerWaalsContact CG1-CD1 3.47Å; V145-L150 HydrophobicContact CG1-CD2 4.23Å; V145-L150 HydrophobicContact CG1-CG 3.56Å; N146-L150 PolarHBondContact O-N 2.83Å; N146-L150 VanDerWaalsContact O-N 3.1Å; F147-L150 PolarHBondContact O-N 3.49Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 2.91Å; L150-K153 PolarHBondContact O-N 3.43Å; L150-L154 VanDerWaalsContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 3.29Å |
| 151 | H | 88.5 | Confident | 79.1 | Confident | 117 Ų | 117 | 105.3 Ų | 105.3 | 54% | 0.542 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -35.9 | -178.6 | -161.3 | -47 | 0 | 0 | 0 | 112.1 | F147 G155 | F147-H151 VanDerWaalsContact O-CB 3.3Å; F147-H151 WeakPolarHBondContact O-CB 3.22Å; F147-H151 PolarHBondContact O-N 3.48Å; H151-G155 PolarHBondContact O-N 3.33Å; H151-G155 VanDerWaalsContact O-N 3.1Å |
| 152 | K | 92.7 | Very high | 81.7 | Confident | 125 Ų | 125 | 104.8 Ų | 104.8 | 54% | 0.543 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -53.3 | 170 | -176.4 | -176.5 | 172 | -178.8 | 0 | 110.8 | A148 L150 L154 G155 D156 | A148-K152 WeakPolarHBondContact O-CB 3.42Å; A148-K152 PolarHBondContact O-N 3.43Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 2.91Å; K152-L154 PolarHBondContact O-N 3.44Å; K152-G155 CarbonylContact O-C 3.59Å; K152-G155 WeakPolarHBondContact O-CA 3.38Å; K152-G155 PolarHBondContact O-N 3.43Å; K152-D156 WeakPolarHBondContact CE-OD1 3.42Å; K152-D156 WeakPolarHBondContact CE-OD2 3.25Å; K152-D156 VanDerWaalsContact O-CG 3.28Å; K152-D156 PolarHBondContact O-N 2.86Å |
| 153 | K | 94.1 | Very high | 84.3 | Confident | 125 Ų | 125 | 101.4 Ų | 101.4 | 54% | 0.543 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -30.9 | -178 | -172 | 169.3 | -176.8 | 176.3 | 0 | 112.5 | Q149 L150 L157 | Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 PolarHBondContact O-N 2.81Å; L150-K153 PolarHBondContact O-N 3.43Å; K153-L157 HydrophobicContact CG-CD1 4.12Å; K153-L157 HydrophobicContact CG-CG 4.45Å; K153-L157 VanDerWaalsContact O-CB 3.28Å; K153-L157 WeakPolarHBondContact O-CB 3.4Å; K153-L157 WeakPolarHBondContact O-CD1 3.39Å; K153-L157 WeakPolarHBondContact O-CG 3.2Å; K153-L157 PolarHBondContact O-N 3.16Å |
| 154 | L | 93.4 | Very high | 86.5 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -48.5 | 170.8 | -177 | 65.2 | 0 | 0 | 0 | 110.6 | L150 K152 L157 E158 | L150-L154 VanDerWaalsContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 3.29Å; K152-L154 PolarHBondContact O-N 3.44Å; L154-L157 CarbonylContact O-C 3.59Å; L154-L157 PolarHBondContact O-N 3.38Å; L154-E158 HydrophobicContact CD1-CG 4.5Å; L154-E158 HydrophobicContact CG-CG 4.48Å; L154-E158 WeakPolarHBondContact CG-OE1 3.41Å; L154-E158 WeakPolarHBondContact O-CB 3.45Å; L154-E158 VanDerWaalsContact O-CG 3.27Å; L154-E158 WeakPolarHBondContact O-CG 3.3Å; L154-E158 PolarHBondContact O-N 2.77Å |
| 155 | G | 95.1 | Very high | 88.7 | Confident | 29 Ų | 29 | 102.1 Ų | 102.1 | 30% | 0.299 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H151 K152 L157 E158 E159 | H151-G155 PolarHBondContact O-N 3.33Å; H151-G155 VanDerWaalsContact O-N 3.1Å; K152-G155 CarbonylContact O-C 3.59Å; K152-G155 WeakPolarHBondContact O-CA 3.38Å; K152-G155 PolarHBondContact O-N 3.43Å; G155-L157 VanDerWaalsContact C-N 3.3Å; G155-L157 PolarHBondContact O-N 3.38Å; G155-E158 PolarHBondContact O-N 2.82Å; G155-E159 PolarHBondContact O-N 2.82Å |
| 156 | D | 95.2 | Very high | 90.7 | Very high | 80 Ų | 80 | 104 Ų | 104 | 43% | 0.428 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 175.4 | -59.4 | -24.4 | 0 | 0 | 0 | 110.5 | K152 E160 | K152-D156 WeakPolarHBondContact CE-OD1 3.42Å; K152-D156 WeakPolarHBondContact CE-OD2 3.25Å; K152-D156 VanDerWaalsContact O-CG 3.28Å; K152-D156 PolarHBondContact O-N 2.86Å; D156-E160 WeakPolarHBondContact O-CB 3.33Å; D156-E160 PolarHBondContact O-N 3.25Å |
| 157 | L | 95 | Very high | 92.5 | Very high | 87 Ų | 87 | 102.4 Ų | 102.4 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.2 | -31.4 | 176.8 | -74.6 | 170.4 | 0 | 0 | 0 | 113.4 | K153 L154 G155 N161 | K153-L157 HydrophobicContact CG-CD1 4.12Å; K153-L157 HydrophobicContact CG-CG 4.45Å; K153-L157 VanDerWaalsContact O-CB 3.28Å; K153-L157 WeakPolarHBondContact O-CB 3.4Å; K153-L157 WeakPolarHBondContact O-CD1 3.39Å; K153-L157 WeakPolarHBondContact O-CG 3.2Å; K153-L157 PolarHBondContact O-N 3.16Å; L154-L157 CarbonylContact O-C 3.59Å; L154-L157 PolarHBondContact O-N 3.38Å; G155-L157 VanDerWaalsContact C-N 3.3Å; G155-L157 PolarHBondContact O-N 3.38Å; L157-N161 VanDerWaalsContact O-CB 3.26Å; L157-N161 WeakPolarHBondContact O-CB 3.43Å; L157-N161 PolarHBondContact O-N 2.8Å |
| 158 | E | 95.7 | Very high | 93.3 | Very high | 108 Ų | 108 | 101.3 Ų | 101.3 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | 173.8 | -78.5 | 171.3 | 179.2 | 0 | 0 | 110.6 | L154 G155 N161 N162 | L154-E158 HydrophobicContact CD1-CG 4.5Å; L154-E158 HydrophobicContact CG-CG 4.48Å; L154-E158 WeakPolarHBondContact CG-OE1 3.41Å; L154-E158 WeakPolarHBondContact O-CB 3.45Å; L154-E158 VanDerWaalsContact O-CG 3.27Å; L154-E158 WeakPolarHBondContact O-CG 3.3Å; L154-E158 PolarHBondContact O-N 2.77Å; G155-E158 PolarHBondContact O-N 2.82Å; E158-N161 PolarHBondContact O-N 3.4Å; E158-N162 WeakPolarHBondContact O-CB 3.49Å; E158-N162 VanDerWaalsContact O-CG 3.25Å; E158-N162 PolarHBondContact O-N 2.91Å; E158-N162 PolarHBondContact O-ND2 3.48Å |
| 159 | E | 95.4 | Very high | 93.9 | Very high | 127 Ų | 127 | 102.4 Ų | 102.4 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -47.7 | 171.9 | -173.3 | 169.8 | -161.9 | 0 | 0 | 111.3 | G155 N161 N162 L163 | G155-E159 PolarHBondContact O-N 2.82Å; E159-N161 VanDerWaalsContact C-N 3.34Å; E159-N161 PolarHBondContact O-N 3.44Å; E159-N162 WeakPolarHBondContact O-CB 3.46Å; E159-N162 PolarHBondContact O-N 3.48Å; E159-N162 VanDerWaalsContact O-N 3.15Å; E159-L163 HydrophobicContact CG-CD1 4.23Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.41Å |
| 160 | E | 95.1 | Very high | 94.5 | Very high | 104 Ų | 104 | 102.9 Ų | 102.9 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 174.5 | -169.8 | -174.3 | 168.5 | 0 | 0 | 111.8 | D156 N162 L163 L164 | D156-E160 WeakPolarHBondContact O-CB 3.33Å; D156-E160 PolarHBondContact O-N 3.25Å; E160-N162 VanDerWaalsContact C-N 3.32Å; E160-N162 PolarHBondContact O-N 2.71Å; E160-L163 PolarHBondContact O-N 2.86Å; E160-L164 HydrophobicContact CG-CD1 4.09Å; E160-L164 HydrophobicContact CG-CG 4.42Å; E160-L164 WeakPolarHBondContact O-CB 3.42Å; E160-L164 VanDerWaalsContact O-CG 3.31Å; E160-L164 WeakPolarHBondContact O-CG 3.29Å; E160-L164 PolarHBondContact O-N 3.27Å |
| 161 | N | 92 | Very high | 95 | Very high | 76 Ų | 76 | 102.3 Ų | 102.3 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 177.3 | -153.2 | -93.7 | 0 | 0 | 0 | 111.8 | L157 E158 E159 R165 | L157-N161 VanDerWaalsContact O-CB 3.26Å; L157-N161 WeakPolarHBondContact O-CB 3.43Å; L157-N161 PolarHBondContact O-N 2.8Å; E158-N161 PolarHBondContact O-N 3.4Å; E159-N161 VanDerWaalsContact C-N 3.34Å; E159-N161 PolarHBondContact O-N 3.44Å; N161-R165 WeakPolarHBondContact O-CB 3.45Å; N161-R165 WeakPolarHBondContact O-CD 3.44Å; N161-R165 WeakPolarHBondContact O-CG 3.24Å; N161-R165 PolarHBondContact O-N 3.15Å; N161-R165 PolarHBondContact OD1-NE 3.12Å; N161-R165 PolarHBondContact OD1-NH2 3.33Å |
| 162 | N | 95.8 | Very high | 95.4 | Very high | 89 Ų | 89 | 99.6 Ų | 99.6 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 174.6 | -76.4 | -39.1 | 0 | 0 | 0 | 111.7 | E158 E159 E160 R165 Q166 | E158-N162 WeakPolarHBondContact O-CB 3.49Å; E158-N162 VanDerWaalsContact O-CG 3.25Å; E158-N162 PolarHBondContact O-N 2.91Å; E158-N162 PolarHBondContact O-ND2 3.48Å; E159-N162 WeakPolarHBondContact O-CB 3.46Å; E159-N162 PolarHBondContact O-N 3.48Å; E159-N162 VanDerWaalsContact O-N 3.15Å; E160-N162 VanDerWaalsContact C-N 3.32Å; E160-N162 PolarHBondContact O-N 2.71Å; N162-R165 WeakPolarHBondContact O-CB 3.37Å; N162-R165 PolarHBondContact O-N 2.95Å; N162-Q166 WeakPolarHBondContact O-CG 3.41Å; N162-Q166 PolarHBondContact O-N 3.39Å |
| 163 | L | 97.2 | Very high | 95.5 | Very high | 99 Ų | 99 | 97 Ų | 97 | 52% | 0.518 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 174.9 | -70.4 | 170.2 | 0 | 0 | 0 | 111.7 | E159 E160 R165 Q166 E167 | E159-L163 HydrophobicContact CG-CD1 4.23Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.41Å; E160-L163 PolarHBondContact O-N 2.86Å; L163-R165 VanDerWaalsContact C-N 3.28Å; L163-R165 PolarHBondContact O-N 3.25Å; L163-Q166 PolarHBondContact O-N 2.96Å; L163-Q166 VanDerWaalsContact O-N 3.17Å; L163-E167 WeakPolarHBondContact O-CB 3.48Å; L163-E167 PolarHBondContact O-N 3.45Å |
| 164 | L | 95.7 | Very high | 95.7 | Very high | 97 Ų | 97 | 92.6 Ų | 92.6 | 51% | 0.508 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -30.3 | 175.4 | -70.5 | 173 | 0 | 0 | 0 | 112.8 | E160 R168 | E160-L164 HydrophobicContact CG-CD1 4.09Å; E160-L164 HydrophobicContact CG-CG 4.42Å; E160-L164 WeakPolarHBondContact O-CB 3.42Å; E160-L164 VanDerWaalsContact O-CG 3.31Å; E160-L164 WeakPolarHBondContact O-CG 3.29Å; E160-L164 PolarHBondContact O-N 3.27Å; L164-R168 WeakPolarHBondContact O-CB 3.34Å; L164-R168 PolarHBondContact O-N 2.99Å |
| 165 | R | 96 | Very high | 95.8 | Very high | 128 Ų | 128 | 90.3 Ų | 90.3 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.6 | -44.1 | 171.1 | -76.4 | 167.3 | -174.7 | -104 | 0.5 | 111.8 | N161 N162 L163 R168 N169 | N161-R165 WeakPolarHBondContact O-CB 3.45Å; N161-R165 WeakPolarHBondContact O-CD 3.44Å; N161-R165 WeakPolarHBondContact O-CG 3.24Å; N161-R165 PolarHBondContact O-N 3.15Å; N161-R165 PolarHBondContact OD1-NE 3.12Å; N161-R165 PolarHBondContact OD1-NH2 3.33Å; N162-R165 WeakPolarHBondContact O-CB 3.37Å; N162-R165 PolarHBondContact O-N 2.95Å; L163-R165 VanDerWaalsContact C-N 3.28Å; L163-R165 PolarHBondContact O-N 3.25Å; R165-R168 PolarHBondContact O-N 2.89Å; R165-N169 WeakPolarHBondContact O-CB 3.47Å; R165-N169 PolarHBondContact O-N 3.2Å; R165-N169 PolarHBondContact O-OD1 3.13Å |
| 166 | Q | 96.2 | Very high | 95.8 | Very high | 126 Ų | 126 | 93.2 Ų | 93.2 | 59% | 0.589 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 175.4 | -70.9 | 173.1 | 36.8 | 0 | 0 | 110.9 | N162 L163 N169 R170 | N162-Q166 WeakPolarHBondContact O-CG 3.41Å; N162-Q166 PolarHBondContact O-N 3.39Å; L163-Q166 PolarHBondContact O-N 2.96Å; L163-Q166 VanDerWaalsContact O-N 3.17Å; Q166-N169 PolarHBondContact O-N 3.22Å; Q166-R170 WeakPolarHBondContact O-CB 3.33Å; Q166-R170 PolarHBondContact O-N 3.09Å |
| 167 | E | 96 | Very high | 95.9 | Very high | 76 Ų | 76 | 96 Ų | 96 | 36% | 0.355 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 177.9 | -177.4 | 59.2 | -169.3 | 0 | 0 | 112.2 | L163 N169 R170 L171 | L163-E167 WeakPolarHBondContact O-CB 3.48Å; L163-E167 PolarHBondContact O-N 3.45Å; E167-N169 VanDerWaalsContact C-N 3.33Å; E167-N169 PolarHBondContact O-N 3.49Å; E167-R170 PolarHBondContact O-N 2.85Å; E167-R170 IonicContact OE1-CZ 3.49Å; E167-R170 IonicContact OE1-NE 3.48Å; E167-R170 PolarHBondContact OE1-NE 3.2Å; E167-R170 IonicContact OE1-NH2 2.69Å; E167-R170 PolarHBondContact OE1-NH2 3.04Å; E167-R170 IonicContact OE2-CZ 3.57Å; E167-R170 IonicContact OE2-NE 2.76Å; E167-R170 PolarHBondContact OE2-NE 3.19Å; E167-R170 IonicContact OE2-NH2 3.53Å; E167-L171 HydrophobicContact CG-CD1 4.09Å; E167-L171 WeakPolarHBondContact O-CB 3.49Å; E167-L171 VanDerWaalsContact O-CG 3.32Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.27Å |
| 168 | R | 96.1 | Very high | 95.9 | Very high | 142 Ų | 142 | 97.4 Ų | 97.4 | 54% | 0.536 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 170.8 | -169.2 | -153.5 | -55.8 | 104.8 | 4.9 | 111.3 | L164 R165 R170 L171 S172 | L164-R168 WeakPolarHBondContact O-CB 3.34Å; L164-R168 PolarHBondContact O-N 2.99Å; R165-R168 PolarHBondContact O-N 2.89Å; R168-R170 VanDerWaalsContact C-N 3.34Å; R168-L171 PolarHBondContact O-N 2.86Å; R168-S172 WeakPolarHBondContact O-CB 3.24Å; R168-S172 PolarHBondContact O-N 3Å |
| 169 | N | 95.5 | Very high | 95.9 | Very high | 98 Ų | 98 | 96.7 Ų | 96.7 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 179.9 | -67.5 | -0.5 | 0 | 0 | 0 | 110.9 | R165 Q166 E167 S172 T173 | R165-N169 WeakPolarHBondContact O-CB 3.47Å; R165-N169 PolarHBondContact O-N 3.2Å; R165-N169 PolarHBondContact O-OD1 3.13Å; Q166-N169 PolarHBondContact O-N 3.22Å; E167-N169 VanDerWaalsContact C-N 3.33Å; E167-N169 PolarHBondContact O-N 3.49Å; N169-S172 WeakPolarHBondContact O-CB 3.32Å; N169-S172 PolarHBondContact O-N 3.12Å; N169-T173 PolarHBondContact O-N 3.44Å; N169-T173 PolarHBondContact O-OG1 3.45Å |
| 170 | R | 97.5 | Very high | 95.9 | Very high | 131 Ų | 131 | 96.9 Ų | 96.9 | 49% | 0.494 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.9 | -167.8 | -165.8 | 70.1 | 74 | -0.3 | 111.8 | Q166 E167 R168 T173 A174 | Q166-R170 WeakPolarHBondContact O-CB 3.33Å; Q166-R170 PolarHBondContact O-N 3.09Å; E167-R170 PolarHBondContact O-N 2.85Å; E167-R170 IonicContact OE1-CZ 3.49Å; E167-R170 IonicContact OE1-NE 3.48Å; E167-R170 PolarHBondContact OE1-NE 3.2Å; E167-R170 IonicContact OE1-NH2 2.69Å; E167-R170 PolarHBondContact OE1-NH2 3.04Å; E167-R170 IonicContact OE2-CZ 3.57Å; E167-R170 IonicContact OE2-NE 2.76Å; E167-R170 PolarHBondContact OE2-NE 3.19Å; E167-R170 IonicContact OE2-NH2 3.53Å; R168-R170 VanDerWaalsContact C-N 3.34Å; R170-T173 PolarHBondContact O-N 3.16Å; R170-T173 PolarHBondContact O-OG1 3.37Å; R170-A174 WeakPolarHBondContact O-CB 3.35Å; R170-A174 PolarHBondContact O-N 3.27Å |
| 171 | L | 95.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 97.1 Ų | 97.1 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.4 | -72 | 171.1 | 0 | 0 | 0 | 112.1 | E167 R168 A174 A175 | E167-L171 HydrophobicContact CG-CD1 4.09Å; E167-L171 WeakPolarHBondContact O-CB 3.49Å; E167-L171 VanDerWaalsContact O-CG 3.32Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.27Å; R168-L171 PolarHBondContact O-N 2.86Å; L171-A174 PolarHBondContact O-N 2.71Å; L171-A175 WeakPolarHBondContact O-CB 3.3Å; L171-A175 PolarHBondContact O-N 3.31Å |
| 172 | S | 97.3 | Very high | 96 | Very high | 59 Ų | 59 | 99.4 Ų | 99.4 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.6 | -54.8 | 172.6 | -165.1 | 0 | 0 | 0 | 0 | 110.4 | R168 N169 A174 A175 D176 | R168-S172 WeakPolarHBondContact O-CB 3.24Å; R168-S172 PolarHBondContact O-N 3Å; N169-S172 WeakPolarHBondContact O-CB 3.32Å; N169-S172 PolarHBondContact O-N 3.12Å; S172-A174 PolarHBondContact O-N 3Å; S172-A175 WeakPolarHBondContact O-CB 3.43Å; S172-A175 PolarHBondContact O-N 2.74Å; S172-D176 PolarHBondContact O-N 2.85Å; S172-D176 VanDerWaalsContact O-OD2 3.06Å |
| 173 | T | 95.9 | Very high | 96 | Very high | 71 Ų | 71 | 98.5 Ų | 98.5 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -28.6 | -180 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | N169 R170 Q177 | N169-T173 PolarHBondContact O-N 3.44Å; N169-T173 PolarHBondContact O-OG1 3.45Å; R170-T173 PolarHBondContact O-N 3.16Å; R170-T173 PolarHBondContact O-OG1 3.37Å; T173-Q177 WeakPolarHBondContact O-CB 3.41Å; T173-Q177 WeakPolarHBondContact O-CG 3.44Å; T173-Q177 PolarHBondContact O-N 2.93Å |
| 174 | A | 97 | Very high | 96 | Very high | 32 Ų | 32 | 95.2 Ų | 95.2 | 26% | 0.264 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74.5 | -36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | R170 L171 S172 L178 | R170-A174 WeakPolarHBondContact O-CB 3.35Å; R170-A174 PolarHBondContact O-N 3.27Å; L171-A174 PolarHBondContact O-N 2.71Å; S172-A174 PolarHBondContact O-N 3Å; A174-L178 WeakPolarHBondContact O-CG 3.28Å; A174-L178 PolarHBondContact O-N 2.87Å; A174-L178 VanDerWaalsContact O-N 3.12Å |
| 175 | A | 95.3 | Very high | 96 | Very high | 44 Ų | 44 | 95.4 Ų | 95.4 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -48.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L171 S172 Q177 L178 D179 | L171-A175 WeakPolarHBondContact O-CB 3.3Å; L171-A175 PolarHBondContact O-N 3.31Å; S172-A175 WeakPolarHBondContact O-CB 3.43Å; S172-A175 PolarHBondContact O-N 2.74Å; A175-Q177 PolarHBondContact O-N 3.29Å; A175-L178 PolarHBondContact O-N 3.38Å; A175-D179 PolarHBondContact O-N 3.5Å |
| 176 | D | 96.3 | Very high | 96.1 | Very high | 90 Ų | 90 | 93.5 Ų | 93.5 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -54.7 | -39.4 | 177.2 | -58.3 | -38.3 | 0 | 0 | 0 | 111.7 | S172 E180 | S172-D176 PolarHBondContact O-N 2.85Å; S172-D176 VanDerWaalsContact O-OD2 3.06Å; D176-E180 WeakPolarHBondContact O-CB 3.47Å; D176-E180 PolarHBondContact O-N 2.89Å |
| 177 | Q | 97 | Very high | 96.1 | Very high | 139 Ų | 139 | 93.3 Ų | 93.3 | 65% | 0.65 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.6 | -35.5 | 175.8 | -75.4 | 171.1 | 19.8 | 0 | 0 | 113.8 | T173 A175 H181 | T173-Q177 WeakPolarHBondContact O-CB 3.41Å; T173-Q177 WeakPolarHBondContact O-CG 3.44Å; T173-Q177 PolarHBondContact O-N 2.93Å; A175-Q177 PolarHBondContact O-N 3.29Å; Q177-H181 WeakPolarHBondContact O-CB 3.47Å; Q177-H181 PolarHBondContact O-N 2.94Å; Q177-H181 VanDerWaalsContact O-N 3.09Å |
| 178 | L | 95 | Very high | 96.1 | Very high | 116 Ų | 116 | 92.5 Ų | 92.5 | 61% | 0.607 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.4 | -38.9 | 175.5 | -73 | 171.6 | 0 | 0 | 0 | 111.2 | A174 A175 H181 E182 | A174-L178 WeakPolarHBondContact O-CG 3.28Å; A174-L178 PolarHBondContact O-N 2.87Å; A174-L178 VanDerWaalsContact O-N 3.12Å; A175-L178 PolarHBondContact O-N 3.38Å; L178-H181 PolarHBondContact O-N 3.5Å; L178-E182 WeakPolarHBondContact O-CB 3.36Å; L178-E182 PolarHBondContact O-N 2.96Å |
| 179 | D | 95.3 | Very high | 96.1 | Very high | 93 Ų | 93 | 89.6 Ų | 89.6 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 175.2 | -69 | -2.6 | 0 | 0 | 0 | 111.2 | A175 H181 E182 T183 | A175-D179 PolarHBondContact O-N 3.5Å; D179-H181 VanDerWaalsContact C-N 3.33Å; D179-H181 PolarHBondContact O-N 2.87Å; D179-E182 PolarHBondContact O-N 2.88Å; D179-T183 VanDerWaalsContact O-CG2 3.29Å; D179-T183 WeakPolarHBondContact O-CG2 3.42Å; D179-T183 PolarHBondContact O-N 3.46Å; D179-T183 PolarHBondContact O-OG1 3.47Å |
| 180 | E | 95.3 | Very high | 96.2 | Very high | 131 Ų | 131 | 87.1 Ų | 87.1 | 61% | 0.612 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.3 | -44.2 | 171.7 | -179.1 | 87.9 | -115.5 | 0 | 0 | 111.2 | D176 T183 A184 R187 | D176-E180 WeakPolarHBondContact O-CB 3.47Å; D176-E180 PolarHBondContact O-N 2.89Å; E180-T183 PolarHBondContact O-OG1 3.46Å; E180-A184 WeakPolarHBondContact O-CB 3.22Å; E180-A184 PolarHBondContact O-N 2.98Å; E180-R187 IonicContact OE1-NH2 2.71Å |
| 181 | H | 96.3 | Very high | 96.2 | Very high | 110 Ų | 110 | 88.3 Ų | 88.3 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 177.1 | 173.1 | -96.4 | 0 | 0 | 0 | 112.9 | Q177 L178 D179 A184 L185 | Q177-H181 WeakPolarHBondContact O-CB 3.47Å; Q177-H181 PolarHBondContact O-N 2.94Å; Q177-H181 VanDerWaalsContact O-N 3.09Å; L178-H181 PolarHBondContact O-N 3.5Å; D179-H181 VanDerWaalsContact C-N 3.33Å; D179-H181 PolarHBondContact O-N 2.87Å; H181-A184 WeakPolarHBondContact O-CB 3.16Å; H181-A184 PolarHBondContact O-N 3.34Å; H181-L185 WeakPolarHBondContact CE1-CD1 3.36Å; H181-L185 PolarHBondContact O-N 2.84Å |
| 182 | E | 94.2 | Very high | 96.3 | Very high | 124 Ų | 124 | 90.5 Ų | 90.5 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -47.3 | 175.7 | -175.5 | 175 | 163.5 | 0 | 0 | 110.7 | L178 D179 A184 L185 V186 | L178-E182 WeakPolarHBondContact O-CB 3.36Å; L178-E182 PolarHBondContact O-N 2.96Å; D179-E182 PolarHBondContact O-N 2.88Å; E182-A184 PolarHBondContact O-N 3.44Å; E182-L185 PolarHBondContact O-N 2.82Å; E182-V186 HydrophobicContact CG-CG2 4.38Å; E182-V186 WeakPolarHBondContact O-CG2 3.02Å; E182-V186 PolarHBondContact O-N 3.48Å |
| 183 | T | 95.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 92.6 Ų | 92.6 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -29.1 | 176.5 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | D179 E180 R187 | D179-T183 VanDerWaalsContact O-CG2 3.29Å; D179-T183 WeakPolarHBondContact O-CG2 3.42Å; D179-T183 PolarHBondContact O-N 3.46Å; D179-T183 PolarHBondContact O-OG1 3.47Å; E180-T183 PolarHBondContact O-OG1 3.46Å; T183-R187 WeakPolarHBondContact O-CB 3.21Å; T183-R187 VanDerWaalsContact O-CG 3.25Å; T183-R187 WeakPolarHBondContact O-CG 3.27Å; T183-R187 PolarHBondContact O-N 3.23Å; T183-R187 PolarHBondContact O-NE 3.41Å; T183-R187 PolarHBondContact OG1-NH2 3.18Å; T183-R187 VanDerWaalsContact OG1-NH2 3.16Å |
| 184 | A | 96.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 94.2 Ų | 94.2 | 25% | 0.248 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -68.3 | -46.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E180 H181 E182 V186 R187 D188 | E180-A184 WeakPolarHBondContact O-CB 3.22Å; E180-A184 PolarHBondContact O-N 2.98Å; H181-A184 WeakPolarHBondContact O-CB 3.16Å; H181-A184 PolarHBondContact O-N 3.34Å; E182-A184 PolarHBondContact O-N 3.44Å; A184-V186 PolarHBondContact O-N 2.84Å; A184-R187 VanDerWaalsContact CA-CZ 3.46Å; A184-R187 WeakPolarHBondContact O-CB 3.38Å; A184-R187 PolarHBondContact O-N 2.89Å; A184-D188 PolarHBondContact O-N 2.91Å |
| 185 | L | 96.5 | Very high | 96.2 | Very high | 101 Ų | 101 | 96.2 Ų | 96.2 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 174.5 | -70.4 | -178 | 0 | 0 | 0 | 112.4 | H181 E182 D188 C189 | H181-L185 WeakPolarHBondContact CE1-CD1 3.36Å; H181-L185 PolarHBondContact O-N 2.84Å; E182-L185 PolarHBondContact O-N 2.82Å; L185-D188 PolarHBondContact O-N 3.44Å; L185-C189 VanDerWaalsContact O-CB 3.32Å; L185-C189 WeakPolarHBondContact O-CB 3.32Å; L185-C189 PolarHBondContact O-N 3.03Å |
| 186 | V | 97.5 | Very high | 96.3 | Very high | 88 Ų | 88 | 96.1 Ų | 96.1 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175 | 171.2 | 0 | 0 | 0 | 0 | 111 | E182 A184 D188 C189 A190 | E182-V186 HydrophobicContact CG-CG2 4.38Å; E182-V186 WeakPolarHBondContact O-CG2 3.02Å; E182-V186 PolarHBondContact O-N 3.48Å; A184-V186 PolarHBondContact O-N 2.84Å; V186-D188 VanDerWaalsContact C-N 3.31Å; V186-D188 PolarHBondContact O-N 2.84Å; V186-C189 PolarHBondContact O-N 3.29Å; V186-A190 WeakPolarHBondContact O-CB 3.03Å; V186-A190 PolarHBondContact O-N 2.73Å |
| 187 | R | 96.3 | Very high | 96.4 | Very high | 123 Ų | 123 | 95.4 Ų | 95.4 | 46% | 0.464 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 172.4 | -82.3 | 175.4 | -83.4 | 133.6 | -14.8 | 111.4 | E180 T183 A184 A190 R191 | E180-R187 IonicContact OE1-NH2 2.71Å; T183-R187 WeakPolarHBondContact O-CB 3.21Å; T183-R187 VanDerWaalsContact O-CG 3.25Å; T183-R187 WeakPolarHBondContact O-CG 3.27Å; T183-R187 PolarHBondContact O-N 3.23Å; T183-R187 PolarHBondContact O-NE 3.41Å; T183-R187 PolarHBondContact OG1-NH2 3.18Å; T183-R187 VanDerWaalsContact OG1-NH2 3.16Å; A184-R187 VanDerWaalsContact CA-CZ 3.46Å; A184-R187 WeakPolarHBondContact O-CB 3.38Å; A184-R187 PolarHBondContact O-N 2.89Å; R187-A190 PolarHBondContact O-N 3.41Å; R187-R191 WeakPolarHBondContact O-CG 3.34Å; R187-R191 PolarHBondContact O-N 3.45Å |
| 188 | D | 96.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 93.4 Ų | 93.4 | 31% | 0.31 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.5 | -38 | -177.4 | -78.7 | 11.7 | 0 | 0 | 0 | 113 | A184 L185 V186 R191 Q192 | A184-D188 PolarHBondContact O-N 2.91Å; L185-D188 PolarHBondContact O-N 3.44Å; V186-D188 VanDerWaalsContact C-N 3.31Å; V186-D188 PolarHBondContact O-N 2.84Å; D188-R191 PolarHBondContact O-N 3.31Å; D188-R191 IonicContact OD1-CZ 3.18Å; D188-R191 VanDerWaalsContact OD1-CZ 3.26Å; D188-R191 IonicContact OD1-NE 2.66Å; D188-R191 PolarHBondContact OD1-NE 3.37Å; D188-R191 VanDerWaalsContact OD1-NE 3.08Å; D188-R191 IonicContact OD1-NH2 3.13Å; D188-R191 PolarHBondContact OD1-NH2 2.95Å; D188-R191 IonicContact OD2-NH2 3.71Å; D188-R191 PolarHBondContact OD2-NH2 3.23Å; D188-Q192 WeakPolarHBondContact O-CB 3.32Å; D188-Q192 VanDerWaalsContact O-CG 3.28Å; D188-Q192 WeakPolarHBondContact O-CG 3.47Å; D188-Q192 PolarHBondContact O-N 2.95Å |
| 189 | C | 95.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 93.1 Ų | 93.1 | 55% | 0.554 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.6 | -46.2 | 168.9 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | L185 V186 R191 Q192 L193 | L185-C189 VanDerWaalsContact O-CB 3.32Å; L185-C189 WeakPolarHBondContact O-CB 3.32Å; L185-C189 PolarHBondContact O-N 3.03Å; V186-C189 PolarHBondContact O-N 3.29Å; C189-R191 PolarHBondContact O-N 2.9Å; C189-Q192 PolarHBondContact O-N 2.92Å; C189-L193 WeakPolarHBondContact O-CB 3.32Å; C189-L193 PolarHBondContact O-N 3.39Å |
| 190 | A | 97.5 | Very high | 96.5 | Very high | 45 Ų | 45 | 93.5 Ų | 93.5 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V186 R187 L193 I194 | V186-A190 WeakPolarHBondContact O-CB 3.03Å; V186-A190 PolarHBondContact O-N 2.73Å; R187-A190 PolarHBondContact O-N 3.41Å; A190-L193 PolarHBondContact O-N 3.46Å; A190-I194 WeakPolarHBondContact O-CD1 3.25Å; A190-I194 VanDerWaalsContact O-CG1 3.25Å; A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 3.02Å |
| 191 | R | 97.2 | Very high | 96.6 | Very high | 157 Ų | 157 | 93.9 Ų | 93.9 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.5 | -48.7 | 173.9 | -72.5 | -167.8 | -60.6 | 147.6 | -4.2 | 111.4 | R187 D188 C189 L193 I194 T195 | R187-R191 WeakPolarHBondContact O-CG 3.34Å; R187-R191 PolarHBondContact O-N 3.45Å; D188-R191 PolarHBondContact O-N 3.31Å; D188-R191 IonicContact OD1-CZ 3.18Å; D188-R191 VanDerWaalsContact OD1-CZ 3.26Å; D188-R191 IonicContact OD1-NE 2.66Å; D188-R191 PolarHBondContact OD1-NE 3.37Å; D188-R191 VanDerWaalsContact OD1-NE 3.08Å; D188-R191 IonicContact OD1-NH2 3.13Å; D188-R191 PolarHBondContact OD1-NH2 2.95Å; D188-R191 IonicContact OD2-NH2 3.71Å; D188-R191 PolarHBondContact OD2-NH2 3.23Å; C189-R191 PolarHBondContact O-N 2.9Å; R191-L193 PolarHBondContact O-N 3.46Å; R191-I194 PolarHBondContact O-N 2.97Å; R191-T195 PolarHBondContact O-N 3.4Å; R191-T195 PolarHBondContact O-OG1 3.08Å; R191-T195 VanDerWaalsContact O-OG1 3.12Å |
| 192 | Q | 97.4 | Very high | 96.6 | Very high | 138 Ų | 138 | 92.6 Ų | 92.6 | 65% | 0.645 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 178.6 | -72.3 | 175.3 | 52.6 | 0 | 0 | 112 | D188 C189 T195 A196 | D188-Q192 WeakPolarHBondContact O-CB 3.32Å; D188-Q192 VanDerWaalsContact O-CG 3.28Å; D188-Q192 WeakPolarHBondContact O-CG 3.47Å; D188-Q192 PolarHBondContact O-N 2.95Å; C189-Q192 PolarHBondContact O-N 2.92Å; Q192-T195 PolarHBondContact O-N 3.48Å; Q192-A196 WeakPolarHBondContact O-CB 3.38Å; Q192-A196 PolarHBondContact O-N 3.32Å |
| 193 | L | 95.6 | Very high | 96.7 | Very high | 103 Ų | 103 | 92.5 Ų | 92.5 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 176.6 | -177.1 | 61.8 | 0 | 0 | 0 | 112.1 | C189 A190 R191 N197 | C189-L193 WeakPolarHBondContact O-CB 3.32Å; C189-L193 PolarHBondContact O-N 3.39Å; A190-L193 PolarHBondContact O-N 3.46Å; R191-L193 PolarHBondContact O-N 3.46Å; L193-N197 VanDerWaalsContact O-CB 3.29Å; L193-N197 WeakPolarHBondContact O-CB 3.4Å; L193-N197 VanDerWaalsContact O-CG 3.22Å; L193-N197 PolarHBondContact O-N 3.48Å; L193-N197 PolarHBondContact O-ND2 3.44Å |
| 194 | I | 97.1 | Very high | 96.8 | Very high | 106 Ų | 106 | 92.3 Ų | 92.3 | 54% | 0.544 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 174.2 | -69.6 | 163.7 | 0 | 0 | 0 | 110.4 | A190 R191 N197 M198 | A190-I194 WeakPolarHBondContact O-CD1 3.25Å; A190-I194 VanDerWaalsContact O-CG1 3.25Å; A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 3.02Å; R191-I194 PolarHBondContact O-N 2.97Å; I194-N197 PolarHBondContact O-N 3.11Å; I194-M198 WeakPolarHBondContact O-CG 3.22Å; I194-M198 PolarHBondContact O-N 3.26Å |
| 195 | T | 96.8 | Very high | 96.8 | Very high | 73 Ų | 73 | 94.5 Ų | 94.5 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | R191 Q192 N197 M198 H199 | R191-T195 PolarHBondContact O-N 3.4Å; R191-T195 PolarHBondContact O-OG1 3.08Å; R191-T195 VanDerWaalsContact O-OG1 3.12Å; Q192-T195 PolarHBondContact O-N 3.48Å; T195-N197 PolarHBondContact O-N 3.25Å; T195-M198 WeakPolarHBondContact O-CB 3.38Å; T195-M198 PolarHBondContact O-N 3Å; T195-M198 VanDerWaalsContact O-N 3.15Å; T195-H199 WeakPolarHBondContact CG2-NE2 3.48Å; T195-H199 PolarHBondContact O-CD2 3.48Å; T195-H199 PolarHBondContact O-N 2.9Å |
| 196 | A | 96.8 | Very high | 96.8 | Very high | 43 Ų | 43 | 93.9 Ų | 93.9 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q192 M198 H199 I200 | Q192-A196 WeakPolarHBondContact O-CB 3.38Å; Q192-A196 PolarHBondContact O-N 3.32Å; A196-M198 VanDerWaalsContact C-N 3.31Å; A196-M198 PolarHBondContact O-N 3.25Å; A196-H199 PolarHBondContact O-N 3.23Å; A196-H199 VanDerWaalsContact O-N 3.16Å; A196-I200 WeakPolarHBondContact O-CG1 3.43Å; A196-I200 PolarHBondContact O-N 2.84Å |
| 197 | N | 97.3 | Very high | 96.8 | Very high | 74 Ų | 74 | 95.6 Ų | 95.6 | 40% | 0.396 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -32.9 | 174.9 | -76.5 | -38.7 | 0 | 0 | 0 | 112.8 | L193 I194 T195 R201 | L193-N197 VanDerWaalsContact O-CB 3.29Å; L193-N197 WeakPolarHBondContact O-CB 3.4Å; L193-N197 VanDerWaalsContact O-CG 3.22Å; L193-N197 PolarHBondContact O-N 3.48Å; L193-N197 PolarHBondContact O-ND2 3.44Å; I194-N197 PolarHBondContact O-N 3.11Å; T195-N197 PolarHBondContact O-N 3.25Å; N197-R201 WeakPolarHBondContact O-CB 3.42Å; N197-R201 PolarHBondContact O-N 2.89Å |
| 198 | M | 95.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 91.8 Ų | 91.8 | 48% | 0.478 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 170.1 | -73.7 | -167.9 | 69.7 | 0 | 0 | 112 | I194 T195 A196 R201 N202 | I194-M198 WeakPolarHBondContact O-CG 3.22Å; I194-M198 PolarHBondContact O-N 3.26Å; T195-M198 WeakPolarHBondContact O-CB 3.38Å; T195-M198 PolarHBondContact O-N 3Å; T195-M198 VanDerWaalsContact O-N 3.15Å; A196-M198 VanDerWaalsContact C-N 3.31Å; A196-M198 PolarHBondContact O-N 3.25Å; M198-R201 PolarHBondContact O-N 3.21Å; M198-N202 WeakPolarHBondContact O-CB 3.4Å; M198-N202 PolarHBondContact O-N 3.18Å; M198-N202 PolarHBondContact O-OD1 3.37Å |
| 199 | H | 97.5 | Very high | 96.7 | Very high | 110 Ų | 110 | 94.8 Ų | 94.8 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 174.3 | -68.8 | -61 | 0 | 0 | 0 | 112.3 | T195 A196 R201 N202 L203 | T195-H199 WeakPolarHBondContact CG2-NE2 3.48Å; T195-H199 PolarHBondContact O-CD2 3.48Å; T195-H199 PolarHBondContact O-N 2.9Å; A196-H199 PolarHBondContact O-N 3.23Å; A196-H199 VanDerWaalsContact O-N 3.16Å; H199-R201 VanDerWaalsContact C-N 3.34Å; H199-R201 PolarHBondContact O-N 2.87Å; H199-N202 PolarHBondContact O-N 3.32Å; H199-L203 WeakPolarHBondContact O-CB 3.37Å; H199-L203 VanDerWaalsContact O-CG 3.29Å; H199-L203 WeakPolarHBondContact O-CG 3.28Å; H199-L203 PolarHBondContact O-N 3.49Å |
| 200 | I | 97 | Very high | 96.8 | Very high | 101 Ų | 101 | 98 Ų | 98 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.1 | -67.9 | 164.5 | 0 | 0 | 0 | 110.8 | A196 L203 S204 | A196-I200 WeakPolarHBondContact O-CG1 3.43Å; A196-I200 PolarHBondContact O-N 2.84Å; I200-L203 PolarHBondContact O-N 3.43Å; I200-S204 WeakPolarHBondContact O-CB 3.41Å; I200-S204 PolarHBondContact O-N 3.26Å; I200-S204 PolarHBondContact O-OG 2.95Å |
| 201 | R | 96.5 | Very high | 96.7 | Very high | 139 Ų | 139 | 98.8 Ų | 98.8 | 53% | 0.525 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -50.8 | 175.4 | -172 | -179.1 | -61.9 | 107.1 | 1.4 | 111.3 | N197 M198 H199 L203 S204 D205 | N197-R201 WeakPolarHBondContact O-CB 3.42Å; N197-R201 PolarHBondContact O-N 2.89Å; M198-R201 PolarHBondContact O-N 3.21Å; H199-R201 VanDerWaalsContact C-N 3.34Å; H199-R201 PolarHBondContact O-N 2.87Å; R201-L203 VanDerWaalsContact C-N 3.31Å; R201-L203 PolarHBondContact O-N 2.99Å; R201-S204 CarbonylContact O-C 3.57Å; R201-S204 WeakPolarHBondContact O-CA 3.45Å; R201-S204 WeakPolarHBondContact O-CB 3.34Å; R201-S204 PolarHBondContact O-N 3.16Å; R201-D205 VanDerWaalsContact O-CG 3.31Å; R201-D205 PolarHBondContact O-N 2.96Å |
| 202 | N | 96.9 | Very high | 96.6 | Very high | 83 Ų | 83 | 96 Ų | 96 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 178.9 | -66.5 | 1.1 | 0 | 0 | 0 | 111.9 | M198 H199 S204 D205 E206 | M198-N202 WeakPolarHBondContact O-CB 3.4Å; M198-N202 PolarHBondContact O-N 3.18Å; M198-N202 PolarHBondContact O-OD1 3.37Å; H199-N202 PolarHBondContact O-N 3.32Å; N202-S204 VanDerWaalsContact C-N 3.33Å; N202-D205 PolarHBondContact O-N 3.3Å; N202-E206 WeakPolarHBondContact O-CB 3.25Å; N202-E206 WeakPolarHBondContact O-CG 3.25Å; N202-E206 PolarHBondContact O-N 2.96Å |
| 203 | L | 97.2 | Very high | 96.5 | Very high | 123 Ų | 123 | 91.6 Ų | 91.6 | 64% | 0.644 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.6 | -33.9 | 175.3 | -71.7 | 172.6 | 0 | 0 | 0 | 112.5 | H199 I200 R201 L207 | H199-L203 WeakPolarHBondContact O-CB 3.37Å; H199-L203 VanDerWaalsContact O-CG 3.29Å; H199-L203 WeakPolarHBondContact O-CG 3.28Å; H199-L203 PolarHBondContact O-N 3.49Å; I200-L203 PolarHBondContact O-N 3.43Å; R201-L203 VanDerWaalsContact C-N 3.31Å; R201-L203 PolarHBondContact O-N 2.99Å; L203-L207 VanDerWaalsContact O-CB 3.29Å; L203-L207 WeakPolarHBondContact O-CB 3.36Å; L203-L207 PolarHBondContact O-N 2.86Å |
| 204 | S | 97 | Very high | 96.5 | Very high | 65 Ų | 65 | 92.6 Ų | 92.6 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 174.5 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | I200 R201 N202 L207 A208 | I200-S204 WeakPolarHBondContact O-CB 3.41Å; I200-S204 PolarHBondContact O-N 3.26Å; I200-S204 PolarHBondContact O-OG 2.95Å; R201-S204 CarbonylContact O-C 3.57Å; R201-S204 WeakPolarHBondContact O-CA 3.45Å; R201-S204 WeakPolarHBondContact O-CB 3.34Å; R201-S204 PolarHBondContact O-N 3.16Å; N202-S204 VanDerWaalsContact C-N 3.33Å; S204-L207 PolarHBondContact O-N 3.13Å; S204-A208 WeakPolarHBondContact O-CB 3.29Å; S204-A208 PolarHBondContact O-N 2.88Å |
| 205 | D | 96.5 | Very high | 96.3 | Very high | 76 Ų | 76 | 92.9 Ų | 92.9 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 176.5 | -63.2 | -23.5 | 0 | 0 | 0 | 111.1 | R201 N202 A208 K209 | R201-D205 VanDerWaalsContact O-CG 3.31Å; R201-D205 PolarHBondContact O-N 2.96Å; N202-D205 PolarHBondContact O-N 3.3Å; D205-A208 PolarHBondContact O-N 3.14Å; D205-K209 VanDerWaalsContact O-CG 3.26Å; D205-K209 WeakPolarHBondContact O-CG 3.47Å; D205-K209 PolarHBondContact O-N 3.06Å |
| 206 | E | 96.6 | Very high | 96.3 | Very high | 87 Ų | 87 | 94.6 Ų | 94.6 | 41% | 0.407 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68 | -34.1 | 173.4 | -71.7 | -56.1 | 124.9 | 0 | 0 | 112.8 | N202 K209 K210 | N202-E206 WeakPolarHBondContact O-CB 3.25Å; N202-E206 WeakPolarHBondContact O-CG 3.25Å; N202-E206 PolarHBondContact O-N 2.96Å; E206-K209 WeakPolarHBondContact OE1-CD 3.29Å; E206-K209 IonicContact OE1-NZ 2.72Å; E206-K209 PolarHBondContact OE1-NZ 2.88Å; E206-K210 WeakPolarHBondContact O-CB 3.41Å; E206-K210 VanDerWaalsContact O-CG 3.32Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.36Å |
| 207 | L | 96.4 | Very high | 96.3 | Very high | 125 Ų | 125 | 98.6 Ų | 98.6 | 65% | 0.654 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.9 | -41.2 | 172.7 | -174.8 | 148.9 | 0 | 0 | 0 | 111.1 | L203 S204 K210 S211 | L203-L207 VanDerWaalsContact O-CB 3.29Å; L203-L207 WeakPolarHBondContact O-CB 3.36Å; L203-L207 PolarHBondContact O-N 2.86Å; S204-L207 PolarHBondContact O-N 3.13Å; L207-K210 PolarHBondContact O-N 2.96Å; L207-S211 WeakPolarHBondContact O-CB 3.48Å; L207-S211 PolarHBondContact O-N 2.95Å |
| 208 | A | 96.2 | Very high | 96.3 | Very high | 43 Ų | 43 | 99 Ų | 99 | 36% | 0.355 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -51.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S204 D205 K210 S211 D212 | S204-A208 WeakPolarHBondContact O-CB 3.29Å; S204-A208 PolarHBondContact O-N 2.88Å; D205-A208 PolarHBondContact O-N 3.14Å; A208-K210 VanDerWaalsContact C-N 3.29Å; A208-K210 PolarHBondContact O-N 3.02Å; A208-S211 WeakPolarHBondContact O-CA 3.48Å; A208-S211 WeakPolarHBondContact O-CB 3.47Å; A208-S211 PolarHBondContact O-N 2.99Å; A208-D212 PolarHBondContact O-N 2.92Å |
| 209 | K | 96.7 | Very high | 96.2 | Very high | 120 Ų | 120 | 97.6 Ų | 97.6 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.6 | -40.7 | 175.6 | -69.7 | 168.7 | -161.5 | 171.2 | 0 | 112.8 | D205 E206 A213 | D205-K209 VanDerWaalsContact O-CG 3.26Å; D205-K209 WeakPolarHBondContact O-CG 3.47Å; D205-K209 PolarHBondContact O-N 3.06Å; E206-K209 WeakPolarHBondContact OE1-CD 3.29Å; E206-K209 IonicContact OE1-NZ 2.72Å; E206-K209 PolarHBondContact OE1-NZ 2.88Å; K209-A213 VanDerWaalsContact O-CB 3.3Å; K209-A213 WeakPolarHBondContact O-CB 3.46Å; K209-A213 PolarHBondContact O-N 3.09Å |
| 210 | K | 96.4 | Very high | 96.2 | Very high | 151 Ų | 151 | 96 Ų | 96 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.5 | -37.8 | 176.1 | -76.9 | 177.8 | -179.2 | 177.7 | 0 | 112.5 | E206 L207 A208 F214 | E206-K210 WeakPolarHBondContact O-CB 3.41Å; E206-K210 VanDerWaalsContact O-CG 3.32Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.36Å; L207-K210 PolarHBondContact O-N 2.96Å; A208-K210 VanDerWaalsContact C-N 3.29Å; A208-K210 PolarHBondContact O-N 3.02Å; K210-F214 WeakPolarHBondContact O-CB 3.45Å; K210-F214 PolarHBondContact O-N 3.34Å |
| 211 | S | 96 | Very high | 96.2 | Very high | 61 Ų | 61 | 95.4 Ų | 95.4 | 43% | 0.427 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 173.3 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | L207 A208 F214 M215 | L207-S211 WeakPolarHBondContact O-CB 3.48Å; L207-S211 PolarHBondContact O-N 2.95Å; A208-S211 WeakPolarHBondContact O-CA 3.48Å; A208-S211 WeakPolarHBondContact O-CB 3.47Å; A208-S211 PolarHBondContact O-N 2.99Å; S211-F214 PolarHBondContact O-N 3.48Å; S211-M215 WeakPolarHBondContact O-CG 3.45Å; S211-M215 PolarHBondContact O-N 3.32Å |
| 212 | D | 95.5 | Very high | 96.2 | Very high | 97 Ų | 97 | 92 Ų | 92 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 177.8 | -65.6 | -21.5 | 0 | 0 | 0 | 111.6 | A208 F214 M215 N216 | A208-D212 PolarHBondContact O-N 2.92Å; D212-F214 VanDerWaalsContact C-N 3.34Å; D212-F214 PolarHBondContact O-N 3.39Å; D212-M215 PolarHBondContact O-N 3.37Å; D212-N216 WeakPolarHBondContact O-CB 3.35Å; D212-N216 VanDerWaalsContact O-CG 3.25Å; D212-N216 PolarHBondContact O-N 3.01Å; D212-N216 PolarHBondContact O-ND2 3.18Å; D212-N216 VanDerWaalsContact O-ND2 3.17Å |
| 213 | A | 95.5 | Very high | 96.2 | Very high | 47 Ų | 47 | 94 Ų | 94 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K209 N216 Q217 | K209-A213 VanDerWaalsContact O-CB 3.3Å; K209-A213 WeakPolarHBondContact O-CB 3.46Å; K209-A213 PolarHBondContact O-N 3.09Å; A213-N216 PolarHBondContact O-N 2.66Å; A213-Q217 WeakPolarHBondContact O-CG 3.29Å; A213-Q217 PolarHBondContact O-N 2.83Å |
| 214 | F | 95.2 | Very high | 96.3 | Very high | 123 Ų | 123 | 92.2 Ų | 92.2 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 174 | 179.2 | -96.5 | 0 | 0 | 0 | 111.8 | K210 S211 D212 N216 Q217 Q218 | K210-F214 WeakPolarHBondContact O-CB 3.45Å; K210-F214 PolarHBondContact O-N 3.34Å; S211-F214 PolarHBondContact O-N 3.48Å; D212-F214 VanDerWaalsContact C-N 3.34Å; D212-F214 PolarHBondContact O-N 3.39Å; F214-N216 VanDerWaalsContact C-N 3.34Å; F214-N216 PolarHBondContact O-N 2.92Å; F214-Q217 PolarHBondContact O-N 3.12Å; F214-Q218 WeakPolarHBondContact O-CB 3.35Å; F214-Q218 PolarHBondContact O-N 2.97Å |
| 215 | M | 93.8 | Very high | 96.2 | Very high | 113 Ų | 113 | 94.4 Ų | 94.4 | 56% | 0.557 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | 174.8 | -75.8 | -58.2 | -66.4 | 0 | 0 | 112.5 | S211 D212 Q218 S219 | S211-M215 WeakPolarHBondContact O-CG 3.45Å; S211-M215 PolarHBondContact O-N 3.32Å; D212-M215 PolarHBondContact O-N 3.37Å; M215-Q218 PolarHBondContact O-N 3.08Å; M215-S219 PolarHBondContact O-N 2.99Å; M215-S219 PolarHBondContact O-OG 2.91Å |
| 216 | N | 96 | Very high | 96.2 | Very high | 109 Ų | 109 | 94.3 Ų | 94.3 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.4 | -35.5 | 174.2 | -70.5 | -31.2 | 0 | 0 | 0 | 112.6 | D212 A213 F214 S219 E220 | D212-N216 WeakPolarHBondContact O-CB 3.35Å; D212-N216 VanDerWaalsContact O-CG 3.25Å; D212-N216 PolarHBondContact O-N 3.01Å; D212-N216 PolarHBondContact O-ND2 3.18Å; D212-N216 VanDerWaalsContact O-ND2 3.17Å; A213-N216 PolarHBondContact O-N 2.66Å; F214-N216 VanDerWaalsContact C-N 3.34Å; F214-N216 PolarHBondContact O-N 2.92Å; N216-S219 PolarHBondContact O-OG 3.45Å; N216-E220 WeakPolarHBondContact O-CB 3.48Å; N216-E220 PolarHBondContact O-N 2.94Å; N216-E220 VanDerWaalsContact O-N 3.11Å |
| 217 | Q | 96.5 | Very high | 96.3 | Very high | 126 Ų | 126 | 97.3 Ų | 97.3 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.6 | -40.3 | 171 | -73.5 | 175 | -3.7 | 0 | 0 | 111.4 | A213 F214 E220 I221 | A213-Q217 WeakPolarHBondContact O-CG 3.29Å; A213-Q217 PolarHBondContact O-N 2.83Å; F214-Q217 PolarHBondContact O-N 3.12Å; Q217-E220 PolarHBondContact O-N 3.16Å; Q217-I221 WeakPolarHBondContact O-CB 3.48Å; Q217-I221 WeakPolarHBondContact O-CD1 3.46Å; Q217-I221 VanDerWaalsContact O-CG1 3.22Å; Q217-I221 WeakPolarHBondContact O-CG1 3.26Å; Q217-I221 PolarHBondContact O-N 3.07Å |
| 218 | Q | 96.6 | Very high | 96.3 | Very high | 83 Ų | 83 | 93.2 Ų | 93.2 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 177.5 | -176 | 59.9 | 48.7 | 0 | 0 | 111.9 | F214 M215 T222 | F214-Q218 WeakPolarHBondContact O-CB 3.35Å; F214-Q218 PolarHBondContact O-N 2.97Å; M215-Q218 PolarHBondContact O-N 3.08Å; Q218-T222 PolarHBondContact NE2-OG1 3.3Å; Q218-T222 WeakPolarHBondContact O-CB 3.35Å; Q218-T222 PolarHBondContact O-N 2.71Å; Q218-T222 PolarHBondContact O-OG1 3.48Å |
| 219 | S | 95.2 | Very high | 96.4 | Very high | 67 Ų | 67 | 95.9 Ų | 95.9 | 47% | 0.469 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 175.1 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | M215 N216 T222 R223 | M215-S219 PolarHBondContact O-N 2.99Å; M215-S219 PolarHBondContact O-OG 2.91Å; N216-S219 PolarHBondContact O-OG 3.45Å; S219-T222 PolarHBondContact O-N 2.91Å; S219-R223 WeakPolarHBondContact O-CB 3.38Å; S219-R223 PolarHBondContact O-N 3.16Å |
| 220 | E | 96.2 | Very high | 96.4 | Very high | 77 Ų | 77 | 94.7 Ų | 94.7 | 36% | 0.36 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.4 | 177.9 | 60.3 | -174 | 0 | 0 | 112.3 | N216 Q217 T222 R223 L224 | N216-E220 WeakPolarHBondContact O-CB 3.48Å; N216-E220 PolarHBondContact O-N 2.94Å; N216-E220 VanDerWaalsContact O-N 3.11Å; Q217-E220 PolarHBondContact O-N 3.16Å; E220-T222 VanDerWaalsContact C-N 3.31Å; E220-T222 PolarHBondContact O-N 2.87Å; E220-R223 PolarHBondContact O-N 3.32Å; E220-R223 IonicContact OE1-CZ 2.67Å; E220-R223 IonicContact OE1-NE 2.65Å; E220-R223 IonicContact OE1-NH2 3.2Å; E220-R223 PolarHBondContact OE1-NH2 3.38Å; E220-R223 IonicContact OE2-CZ 3.95Å; E220-R223 VanDerWaalsContact OE2-CZ 3.23Å; E220-R223 IonicContact OE2-NE 2.95Å; E220-R223 PolarHBondContact OE2-NE 3.34Å; E220-R223 IonicContact OE2-NH2 3.74Å; E220-R223 PolarHBondContact OE2-NH2 3.07Å; E220-L224 HydrophobicContact CG-CD1 4.12Å; E220-L224 WeakPolarHBondContact O-CB 3.39Å; E220-L224 VanDerWaalsContact O-CG 3.28Å; E220-L224 WeakPolarHBondContact O-CG 3.4Å; E220-L224 PolarHBondContact O-N 2.97Å |
| 221 | I | 96.3 | Very high | 96.4 | Very high | 89 Ų | 89 | 92.3 Ų | 92.3 | 46% | 0.456 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 173.1 | -70.8 | 164.5 | 0 | 0 | 0 | 110.2 | Q217 L224 L225 | Q217-I221 WeakPolarHBondContact O-CB 3.48Å; Q217-I221 WeakPolarHBondContact O-CD1 3.46Å; Q217-I221 VanDerWaalsContact O-CG1 3.22Å; Q217-I221 WeakPolarHBondContact O-CG1 3.26Å; Q217-I221 PolarHBondContact O-N 3.07Å; I221-L224 PolarHBondContact O-N 3.08Å; I221-L225 HydrophobicContact CG2-CD1 3.92Å; I221-L225 HydrophobicContact CG2-CG 4.4Å; I221-L225 WeakPolarHBondContact O-CB 3.3Å; I221-L225 VanDerWaalsContact O-CG 3.28Å; I221-L225 WeakPolarHBondContact O-CG 3.46Å; I221-L225 PolarHBondContact O-N 3.46Å |
| 222 | T | 97.1 | Very high | 96.5 | Very high | 67 Ų | 67 | 94 Ų | 94 | 41% | 0.411 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 178.7 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | Q218 S219 E220 L224 L225 T226 | Q218-T222 PolarHBondContact NE2-OG1 3.3Å; Q218-T222 WeakPolarHBondContact O-CB 3.35Å; Q218-T222 PolarHBondContact O-N 2.71Å; Q218-T222 PolarHBondContact O-OG1 3.48Å; S219-T222 PolarHBondContact O-N 2.91Å; E220-T222 VanDerWaalsContact C-N 3.31Å; E220-T222 PolarHBondContact O-N 2.87Å; T222-L224 PolarHBondContact O-N 2.89Å; T222-L225 PolarHBondContact O-N 2.94Å; T222-T226 PolarHBondContact O-N 3.36Å; T222-T226 PolarHBondContact O-OG1 3.2Å; T222-T226 VanDerWaalsContact O-OG1 3.13Å |
| 223 | R | 98 | Very high | 96.6 | Very high | 125 Ų | 125 | 93.5 Ų | 93.5 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 176.6 | -169.1 | -172 | 70.5 | 87.1 | 1.7 | 112.3 | S219 E220 R227 | S219-R223 WeakPolarHBondContact O-CB 3.38Å; S219-R223 PolarHBondContact O-N 3.16Å; E220-R223 PolarHBondContact O-N 3.32Å; E220-R223 IonicContact OE1-CZ 2.67Å; E220-R223 IonicContact OE1-NE 2.65Å; E220-R223 IonicContact OE1-NH2 3.2Å; E220-R223 PolarHBondContact OE1-NH2 3.38Å; E220-R223 IonicContact OE2-CZ 3.95Å; E220-R223 VanDerWaalsContact OE2-CZ 3.23Å; E220-R223 IonicContact OE2-NE 2.95Å; E220-R223 PolarHBondContact OE2-NE 3.34Å; E220-R223 IonicContact OE2-NH2 3.74Å; E220-R223 PolarHBondContact OE2-NH2 3.07Å; R223-R227 WeakPolarHBondContact O-CB 3.32Å; R223-R227 PolarHBondContact O-N 2.89Å |
| 224 | L | 97.9 | Very high | 96.7 | Very high | 86 Ų | 86 | 97.6 Ų | 97.6 | 45% | 0.45 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 175.5 | -70.4 | 173.5 | 0 | 0 | 0 | 112.2 | E220 I221 T222 G228 | E220-L224 HydrophobicContact CG-CD1 4.12Å; E220-L224 WeakPolarHBondContact O-CB 3.39Å; E220-L224 VanDerWaalsContact O-CG 3.28Å; E220-L224 WeakPolarHBondContact O-CG 3.4Å; E220-L224 PolarHBondContact O-N 2.97Å; I221-L224 PolarHBondContact O-N 3.08Å; T222-L224 PolarHBondContact O-N 2.89Å; L224-G228 PolarHBondContact O-N 3.42Å |
| 225 | L | 96.6 | Very high | 96.8 | Very high | 110 Ų | 110 | 96 Ų | 96 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.8 | -46.9 | 173.7 | -74.2 | 170.1 | 0 | 0 | 0 | 111.7 | I221 T222 R227 G228 L229 | I221-L225 HydrophobicContact CG2-CD1 3.92Å; I221-L225 HydrophobicContact CG2-CG 4.4Å; I221-L225 WeakPolarHBondContact O-CB 3.3Å; I221-L225 VanDerWaalsContact O-CG 3.28Å; I221-L225 WeakPolarHBondContact O-CG 3.46Å; I221-L225 PolarHBondContact O-N 3.46Å; T222-L225 PolarHBondContact O-N 2.94Å; L225-R227 PolarHBondContact O-N 3.3Å; L225-G228 WeakPolarHBondContact O-CA 3.37Å; L225-G228 PolarHBondContact O-N 3.15Å; L225-G228 VanDerWaalsContact O-N 3.12Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.42Å |
| 226 | T | 96.6 | Very high | 97 | Very high | 74 Ų | 74 | 95.9 Ų | 95.9 | 45% | 0.454 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.8 | -51.3 | 174.7 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | T222 G228 L229 D230 | T222-T226 PolarHBondContact O-N 3.36Å; T222-T226 PolarHBondContact O-OG1 3.2Å; T222-T226 VanDerWaalsContact O-OG1 3.13Å; T226-G228 VanDerWaalsContact C-N 3.25Å; T226-G228 PolarHBondContact O-N 2.9Å; T226-L229 PolarHBondContact O-N 3.4Å; T226-L229 VanDerWaalsContact O-N 3.1Å; T226-D230 VanDerWaalsContact O-CG 3.31Å; T226-D230 PolarHBondContact O-N 3.33Å |
| 227 | R | 97.6 | Very high | 97.1 | Very high | 151 Ų | 151 | 95.5 Ų | 95.5 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.7 | -36 | 175.8 | -175.6 | 178.9 | -178.5 | -179.9 | 3.3 | 112.8 | R223 L225 L231 | R223-R227 WeakPolarHBondContact O-CB 3.32Å; R223-R227 PolarHBondContact O-N 2.89Å; L225-R227 PolarHBondContact O-N 3.3Å; R227-L231 HydrophobicContact CG-CD1 4.23Å; R227-L231 WeakPolarHBondContact O-CB 3.1Å; R227-L231 VanDerWaalsContact O-CG 3.26Å; R227-L231 WeakPolarHBondContact O-CG 3.37Å; R227-L231 PolarHBondContact O-N 2.93Å |
| 228 | G | 96.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 92.9 Ų | 92.9 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L224 L225 T226 L231 E232 | L224-G228 PolarHBondContact O-N 3.42Å; L225-G228 WeakPolarHBondContact O-CA 3.37Å; L225-G228 PolarHBondContact O-N 3.15Å; L225-G228 VanDerWaalsContact O-N 3.12Å; T226-G228 VanDerWaalsContact C-N 3.25Å; T226-G228 PolarHBondContact O-N 2.9Å; G228-L231 PolarHBondContact O-N 3.01Å; G228-E232 WeakPolarHBondContact O-CB 3.48Å; G228-E232 PolarHBondContact O-N 3Å |
| 229 | L | 97.1 | Very high | 97.2 | Very high | 99 Ų | 99 | 92.6 Ų | 92.6 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 176.5 | -67.7 | 171.2 | 0 | 0 | 0 | 112.1 | L225 T226 L231 E232 N233 | L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.42Å; T226-L229 PolarHBondContact O-N 3.4Å; T226-L229 VanDerWaalsContact O-N 3.1Å; L229-L231 PolarHBondContact O-N 3.1Å; L229-E232 PolarHBondContact O-N 3.33Å; L229-N233 WeakPolarHBondContact O-CB 3.4Å; L229-N233 VanDerWaalsContact O-CG 3.22Å; L229-N233 PolarHBondContact O-N 3.03Å; L229-N233 PolarHBondContact O-ND2 2.92Å |
| 230 | D | 97.5 | Very high | 97.2 | Very high | 95 Ų | 95 | 92.3 Ų | 92.3 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176 | -66.1 | -31 | 0 | 0 | 0 | 111.7 | T226 N233 R234 | T226-D230 VanDerWaalsContact O-CG 3.31Å; T226-D230 PolarHBondContact O-N 3.33Å; D230-N233 PolarHBondContact O-N 2.86Å; D230-R234 WeakPolarHBondContact O-CB 3.35Å; D230-R234 PolarHBondContact O-N 2.87Å |
| 231 | L | 97.3 | Very high | 97.3 | Very high | 102 Ų | 102 | 92.1 Ų | 92.1 | 53% | 0.534 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 174.6 | -71.9 | 171.8 | 0 | 0 | 0 | 111.9 | R227 G228 L229 R234 V235 | R227-L231 HydrophobicContact CG-CD1 4.23Å; R227-L231 WeakPolarHBondContact O-CB 3.1Å; R227-L231 VanDerWaalsContact O-CG 3.26Å; R227-L231 WeakPolarHBondContact O-CG 3.37Å; R227-L231 PolarHBondContact O-N 2.93Å; G228-L231 PolarHBondContact O-N 3.01Å; L229-L231 PolarHBondContact O-N 3.1Å; L231-R234 PolarHBondContact O-N 3.39Å; L231-V235 VanDerWaalsContact O-CG2 3.32Å; L231-V235 WeakPolarHBondContact O-CG2 3.33Å; L231-V235 PolarHBondContact O-N 3.38Å |
| 232 | E | 97.4 | Very high | 97.3 | Very high | 95 Ų | 95 | 92.2 Ų | 92.2 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.3 | -165.5 | -170.1 | 144.6 | 0 | 0 | 111.4 | G228 L229 V235 K236 | G228-E232 WeakPolarHBondContact O-CB 3.48Å; G228-E232 PolarHBondContact O-N 3Å; L229-E232 PolarHBondContact O-N 3.33Å; E232-V235 PolarHBondContact O-N 3.29Å; E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 2.85Å; E232-K236 WeakPolarHBondContact OE1-CE 3.22Å; E232-K236 IonicContact OE1-NZ 2.73Å; E232-K236 PolarHBondContact OE1-NZ 3.4Å |
| 233 | N | 97.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 94.5 Ų | 94.5 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 175.5 | -71.4 | -27.6 | 0 | 0 | 0 | 111.7 | L229 D230 V235 K236 Q237 | L229-N233 WeakPolarHBondContact O-CB 3.4Å; L229-N233 VanDerWaalsContact O-CG 3.22Å; L229-N233 PolarHBondContact O-N 3.03Å; L229-N233 PolarHBondContact O-ND2 2.92Å; D230-N233 PolarHBondContact O-N 2.86Å; N233-V235 VanDerWaalsContact C-N 3.34Å; N233-V235 PolarHBondContact O-N 2.93Å; N233-K236 PolarHBondContact O-N 3.1Å; N233-Q237 PolarHBondContact O-N 2.76Å |
| 234 | R | 97.9 | Very high | 97.2 | Very high | 132 Ų | 132 | 93.6 Ų | 93.6 | 50% | 0.498 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 175 | -173.2 | 59.7 | 160.3 | 120.7 | -2.7 | 112.2 | D230 L231 L238 | D230-R234 WeakPolarHBondContact O-CB 3.35Å; D230-R234 PolarHBondContact O-N 2.87Å; L231-R234 PolarHBondContact O-N 3.39Å; R234-L238 HydrophobicContact CG-CD1 4.35Å; R234-L238 WeakPolarHBondContact O-CB 3.33Å; R234-L238 WeakPolarHBondContact O-CG 3.46Å; R234-L238 PolarHBondContact O-N 3.47Å |
| 235 | V | 97.6 | Very high | 97.2 | Very high | 91 Ų | 91 | 94.2 Ų | 94.2 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.7 | -47.8 | 173.8 | 168.9 | 0 | 0 | 0 | 0 | 110.5 | L231 E232 N233 Q237 L238 T239 | L231-V235 VanDerWaalsContact O-CG2 3.32Å; L231-V235 WeakPolarHBondContact O-CG2 3.33Å; L231-V235 PolarHBondContact O-N 3.38Å; E232-V235 PolarHBondContact O-N 3.29Å; N233-V235 VanDerWaalsContact C-N 3.34Å; N233-V235 PolarHBondContact O-N 2.93Å; V235-Q237 VanDerWaalsContact C-N 3.33Å; V235-Q237 PolarHBondContact O-N 2.85Å; V235-L238 PolarHBondContact O-N 3.05Å; V235-T239 PolarHBondContact O-N 3.26Å; V235-T239 PolarHBondContact O-OG1 2.66Å |
| 236 | K | 97.6 | Very high | 97.3 | Very high | 109 Ų | 109 | 92.2 Ų | 92.2 | 47% | 0.474 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57 | -43.9 | 175.6 | -72.5 | 167.4 | -175 | 162.5 | 0 | 112.3 | E232 N233 T239 A240 | E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 2.85Å; E232-K236 WeakPolarHBondContact OE1-CE 3.22Å; E232-K236 IonicContact OE1-NZ 2.73Å; E232-K236 PolarHBondContact OE1-NZ 3.4Å; N233-K236 PolarHBondContact O-N 3.1Å; K236-T239 PolarHBondContact O-N 3.04Å; K236-A240 PolarHBondContact O-N 2.94Å |
| 237 | Q | 97.8 | Very high | 97.3 | Very high | 101 Ų | 101 | 90.4 Ų | 90.4 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -50.5 | 176.3 | -179.3 | -179.2 | -4.3 | 0 | 0 | 111.4 | N233 V235 T239 A240 E241 | N233-Q237 PolarHBondContact O-N 2.76Å; V235-Q237 VanDerWaalsContact C-N 3.33Å; V235-Q237 PolarHBondContact O-N 2.85Å; Q237-T239 VanDerWaalsContact C-N 3.26Å; Q237-T239 PolarHBondContact O-N 3.03Å; Q237-A240 PolarHBondContact O-N 3.45Å; Q237-A240 VanDerWaalsContact O-N 3.11Å; Q237-E241 HydrophobicContact CG-CG 4.49Å; Q237-E241 VanDerWaalsContact CG-OE1 3.3Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.41Å; Q237-E241 PolarHBondContact NE2-OE1 2.92Å; Q237-E241 WeakPolarHBondContact O-CG 3.45Å; Q237-E241 PolarHBondContact O-N 2.89Å |
| 238 | L | 97 | Very high | 97.3 | Very high | 72 Ų | 72 | 90.2 Ų | 90.2 | 38% | 0.377 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -33.6 | 177.3 | -74.8 | 170.1 | 0 | 0 | 0 | 112.2 | R234 V235 N242 | R234-L238 HydrophobicContact CG-CD1 4.35Å; R234-L238 WeakPolarHBondContact O-CB 3.33Å; R234-L238 WeakPolarHBondContact O-CG 3.46Å; R234-L238 PolarHBondContact O-N 3.47Å; V235-L238 PolarHBondContact O-N 3.05Å; L238-N242 WeakPolarHBondContact O-CB 3.19Å; L238-N242 PolarHBondContact O-N 3.32Å; L238-N242 PolarHBondContact O-ND2 3.42Å |
| 239 | T | 97.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 93.7 Ų | 93.7 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 172.7 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | V235 K236 Q237 N242 E243 | V235-T239 PolarHBondContact O-N 3.26Å; V235-T239 PolarHBondContact O-OG1 2.66Å; K236-T239 PolarHBondContact O-N 3.04Å; Q237-T239 VanDerWaalsContact C-N 3.26Å; Q237-T239 PolarHBondContact O-N 3.03Å; T239-N242 PolarHBondContact O-N 3.26Å; T239-E243 PolarHBondContact O-N 2.93Å |
| 240 | A | 97.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 94.4 Ų | 94.4 | 50% | 0.504 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K236 Q237 E243 M244 | K236-A240 PolarHBondContact O-N 2.94Å; Q237-A240 PolarHBondContact O-N 3.45Å; Q237-A240 VanDerWaalsContact O-N 3.11Å; A240-E243 PolarHBondContact O-N 2.81Å; A240-M244 PolarHBondContact O-N 3.27Å |
| 241 | E | 97.5 | Very high | 97.3 | Very high | 74 Ų | 74 | 96.2 Ų | 96.2 | 35% | 0.346 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.4 | -72.9 | 170.3 | -169.8 | 0 | 0 | 111.4 | Q237 M244 L245 | Q237-E241 HydrophobicContact CG-CG 4.49Å; Q237-E241 VanDerWaalsContact CG-OE1 3.3Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.41Å; Q237-E241 PolarHBondContact NE2-OE1 2.92Å; Q237-E241 WeakPolarHBondContact O-CG 3.45Å; Q237-E241 PolarHBondContact O-N 2.89Å; E241-M244 WeakPolarHBondContact O-CB 3.44Å; E241-M244 PolarHBondContact O-N 2.86Å; E241-L245 WeakPolarHBondContact O-CG 3.36Å; E241-L245 PolarHBondContact O-N 3.26Å |
| 242 | N | 96 | Very high | 97.3 | Very high | 90 Ų | 90 | 95.3 Ų | 95.3 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 174.8 | -82 | -57.4 | 0 | 0 | 0 | 112.5 | L238 T239 M244 L245 I246 | L238-N242 WeakPolarHBondContact O-CB 3.19Å; L238-N242 PolarHBondContact O-N 3.32Å; L238-N242 PolarHBondContact O-ND2 3.42Å; T239-N242 PolarHBondContact O-N 3.26Å; N242-M244 VanDerWaalsContact C-N 3.29Å; N242-M244 PolarHBondContact O-N 3.17Å; N242-L245 PolarHBondContact O-N 3.2Å; N242-I246 WeakPolarHBondContact O-CB 3.34Å; N242-I246 VanDerWaalsContact O-CG1 3.25Å; N242-I246 WeakPolarHBondContact O-CG1 3.14Å; N242-I246 PolarHBondContact O-N 3.32Å |
| 243 | E | 96.8 | Very high | 97.3 | Very high | 116 Ų | 116 | 96.5 Ų | 96.5 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 175.3 | -75.6 | -62.4 | 146.7 | 0 | 0 | 111.8 | T239 A240 I246 G247 | T239-E243 PolarHBondContact O-N 2.93Å; A240-E243 PolarHBondContact O-N 2.81Å; E243-I246 PolarHBondContact O-N 3.23Å; E243-G247 PolarHBondContact O-N 3.46Å |
| 244 | M | 96.6 | Very high | 97.3 | Very high | 105 Ų | 105 | 97.8 Ų | 97.8 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 173.9 | -169.7 | -167.1 | -55.7 | 0 | 0 | 112.1 | A240 E241 N242 G247 R248 | A240-M244 PolarHBondContact O-N 3.27Å; E241-M244 WeakPolarHBondContact O-CB 3.44Å; E241-M244 PolarHBondContact O-N 2.86Å; N242-M244 VanDerWaalsContact C-N 3.29Å; N242-M244 PolarHBondContact O-N 3.17Å; M244-G247 PolarHBondContact O-N 2.96Å; M244-R248 WeakPolarHBondContact O-CG 3Å; M244-R248 PolarHBondContact O-N 3.43Å; M244-R248 PolarHBondContact SD-NH2 2.89Å; M244-R248 VanDerWaalsContact SD-NH2 3.44Å |
| 245 | L | 97.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 94.3 Ų | 94.3 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 177.5 | -70.6 | 174.2 | 0 | 0 | 0 | 112 | E241 N242 G247 R248 L249 | E241-L245 WeakPolarHBondContact O-CG 3.36Å; E241-L245 PolarHBondContact O-N 3.26Å; N242-L245 PolarHBondContact O-N 3.2Å; L245-G247 VanDerWaalsContact C-N 3.33Å; L245-R248 PolarHBondContact O-N 3.07Å; L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 2.9Å |
| 246 | I | 97.9 | Very high | 97.1 | Very high | 68 Ų | 68 | 96.2 Ų | 96.2 | 35% | 0.349 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 172.5 | -69.9 | 164.8 | 0 | 0 | 0 | 110.6 | N242 E243 L249 K250 | N242-I246 WeakPolarHBondContact O-CB 3.34Å; N242-I246 VanDerWaalsContact O-CG1 3.25Å; N242-I246 WeakPolarHBondContact O-CG1 3.14Å; N242-I246 PolarHBondContact O-N 3.32Å; E243-I246 PolarHBondContact O-N 3.23Å; I246-L249 PolarHBondContact O-N 3.26Å; I246-K250 HydrophobicContact CG2-CD 4.18Å; I246-K250 VanDerWaalsContact O-CG 3.31Å; I246-K250 WeakPolarHBondContact O-CG 3.27Å; I246-K250 PolarHBondContact O-N 3.42Å |
| 247 | G | 97.4 | Very high | 97.1 | Very high | 35 Ų | 35 | 94.4 Ų | 94.4 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.1 | -51.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E243 M244 L245 L249 K250 E251 | E243-G247 PolarHBondContact O-N 3.46Å; M244-G247 PolarHBondContact O-N 2.96Å; L245-G247 VanDerWaalsContact C-N 3.33Å; G247-L249 PolarHBondContact O-N 2.66Å; G247-K250 PolarHBondContact O-N 2.95Å; G247-E251 PolarHBondContact O-N 3.4Å |
| 248 | R | 97.4 | Very high | 97 | Very high | 147 Ų | 147 | 94.1 Ų | 94.1 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61 | -40.8 | 176.6 | -69.8 | 179.3 | -174.5 | -173.7 | 3.8 | 112.5 | M244 L245 K250 E251 T252 | M244-R248 WeakPolarHBondContact O-CG 3Å; M244-R248 PolarHBondContact O-N 3.43Å; M244-R248 PolarHBondContact SD-NH2 2.89Å; M244-R248 VanDerWaalsContact SD-NH2 3.44Å; L245-R248 PolarHBondContact O-N 3.07Å; R248-K250 VanDerWaalsContact C-N 3.33Å; R248-K250 PolarHBondContact O-N 2.89Å; R248-E251 PolarHBondContact O-N 3.11Å; R248-T252 WeakPolarHBondContact O-CG2 3.49Å; R248-T252 PolarHBondContact O-N 2.99Å; R248-T252 PolarHBondContact O-OG1 2.84Å |
| 249 | L | 97.4 | Very high | 97 | Very high | 111 Ų | 111 | 95.5 Ų | 95.5 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -39.1 | 176.8 | -179.4 | 62.7 | 0 | 0 | 0 | 111.9 | L245 I246 G247 T252 Q253 | L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 2.9Å; I246-L249 PolarHBondContact O-N 3.26Å; G247-L249 PolarHBondContact O-N 2.66Å; L249-T252 PolarHBondContact O-OG1 3.26Å; L249-T252 VanDerWaalsContact O-OG1 3.1Å; L249-Q253 WeakPolarHBondContact O-CB 3.28Å; L249-Q253 PolarHBondContact O-N 3.35Å |
| 250 | K | 97.8 | Very high | 97 | Very high | 115 Ų | 115 | 95.9 Ų | 95.9 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 173.6 | -71.8 | 165.6 | -178.6 | 169.5 | 0 | 111.5 | I246 G247 R248 Q253 I254 | I246-K250 HydrophobicContact CG2-CD 4.18Å; I246-K250 VanDerWaalsContact O-CG 3.31Å; I246-K250 WeakPolarHBondContact O-CG 3.27Å; I246-K250 PolarHBondContact O-N 3.42Å; G247-K250 PolarHBondContact O-N 2.95Å; R248-K250 VanDerWaalsContact C-N 3.33Å; R248-K250 PolarHBondContact O-N 2.89Å; K250-Q253 PolarHBondContact O-N 2.88Å; K250-I254 WeakPolarHBondContact O-CB 3.43Å; K250-I254 WeakPolarHBondContact O-CD1 3.4Å; K250-I254 VanDerWaalsContact O-CG1 3.23Å; K250-I254 WeakPolarHBondContact O-CG1 3.47Å; K250-I254 PolarHBondContact O-N 3.39Å |
| 251 | E | 96.8 | Very high | 96.9 | Very high | 132 Ų | 132 | 96 Ų | 96 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 178.1 | -173.3 | 175 | -164.1 | 0 | 0 | 112.4 | G247 R248 I254 S255 | G247-E251 PolarHBondContact O-N 3.4Å; R248-E251 PolarHBondContact O-N 3.11Å; E251-I254 PolarHBondContact O-N 2.8Å; E251-S255 WeakPolarHBondContact O-CB 3.44Å; E251-S255 PolarHBondContact O-N 3.01Å; E251-S255 PolarHBondContact O-OG 2.78Å |
| 252 | T | 95.9 | Very high | 96.9 | Very high | 84 Ų | 84 | 97 Ų | 97 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.7 | -36.7 | 174.1 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | R248 L249 S255 Q256 | R248-T252 WeakPolarHBondContact O-CG2 3.49Å; R248-T252 PolarHBondContact O-N 2.99Å; R248-T252 PolarHBondContact O-OG1 2.84Å; L249-T252 PolarHBondContact O-OG1 3.26Å; L249-T252 VanDerWaalsContact O-OG1 3.1Å; T252-S255 PolarHBondContact O-N 3.02Å; T252-Q256 VanDerWaalsContact O-CB 3.32Å; T252-Q256 WeakPolarHBondContact O-CB 3.09Å; T252-Q256 PolarHBondContact O-N 3.13Å |
| 253 | Q | 98.1 | Very high | 97 | Very high | 120 Ų | 120 | 98.6 Ų | 98.6 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | 173.1 | -175.4 | -179.3 | 5.4 | 0 | 0 | 111.9 | L249 K250 Q256 S257 | L249-Q253 WeakPolarHBondContact O-CB 3.28Å; L249-Q253 PolarHBondContact O-N 3.35Å; K250-Q253 PolarHBondContact O-N 2.88Å; Q253-Q256 PolarHBondContact O-N 3.48Å; Q253-S257 WeakPolarHBondContact O-CB 3.48Å; Q253-S257 PolarHBondContact O-N 2.93Å |
| 254 | I | 96.7 | Very high | 97 | Very high | 115 Ų | 115 | 99.4 Ų | 99.4 | 59% | 0.59 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -48.4 | 174.1 | -70.7 | 162.8 | 0 | 0 | 0 | 109.8 | K250 E251 Q256 S257 L258 | K250-I254 WeakPolarHBondContact O-CB 3.43Å; K250-I254 WeakPolarHBondContact O-CD1 3.4Å; K250-I254 VanDerWaalsContact O-CG1 3.23Å; K250-I254 WeakPolarHBondContact O-CG1 3.47Å; K250-I254 PolarHBondContact O-N 3.39Å; E251-I254 PolarHBondContact O-N 2.8Å; I254-Q256 VanDerWaalsContact C-N 3.34Å; I254-Q256 PolarHBondContact O-N 3.15Å; I254-S257 PolarHBondContact O-N 2.94Å; I254-S257 VanDerWaalsContact O-N 3.12Å; I254-S257 PolarHBondContact O-OG 3.25Å; I254-L258 PolarHBondContact O-N 3.43Å |
| 255 | S | 94.8 | Very high | 97 | Very high | 58 Ų | 58 | 98.3 Ų | 98.3 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 178 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | E251 T252 L258 L259 | E251-S255 WeakPolarHBondContact O-CB 3.44Å; E251-S255 PolarHBondContact O-N 3.01Å; E251-S255 PolarHBondContact O-OG 2.78Å; T252-S255 PolarHBondContact O-N 3.02Å; S255-L258 PolarHBondContact O-N 2.88Å; S255-L259 WeakPolarHBondContact O-CG 3.22Å; S255-L259 PolarHBondContact O-N 2.72Å |
| 256 | Q | 97.1 | Very high | 96.9 | Very high | 132 Ų | 132 | 97.5 Ų | 97.5 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -42.1 | 174.5 | -173.8 | -177.6 | 44.8 | 0 | 0 | 111.7 | T252 Q253 I254 L258 L259 T260 | T252-Q256 VanDerWaalsContact O-CB 3.32Å; T252-Q256 WeakPolarHBondContact O-CB 3.09Å; T252-Q256 PolarHBondContact O-N 3.13Å; Q253-Q256 PolarHBondContact O-N 3.48Å; I254-Q256 VanDerWaalsContact C-N 3.34Å; I254-Q256 PolarHBondContact O-N 3.15Å; Q256-L258 VanDerWaalsContact C-N 3.34Å; Q256-L258 PolarHBondContact O-N 2.89Å; Q256-L259 PolarHBondContact O-N 2.73Å; Q256-T260 VanDerWaalsContact O-CB 3.31Å; Q256-T260 WeakPolarHBondContact O-CB 3.21Å; Q256-T260 PolarHBondContact O-N 3.11Å; Q256-T260 PolarHBondContact O-OG1 3.1Å |
| 257 | S | 96.9 | Very high | 96.9 | Very high | 70 Ų | 70 | 102.5 Ų | 102.5 | 49% | 0.49 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 177.5 | 76.9 | 0 | 0 | 0 | 0 | 112.2 | Q253 I254 T260 S261 | Q253-S257 WeakPolarHBondContact O-CB 3.48Å; Q253-S257 PolarHBondContact O-N 2.93Å; I254-S257 PolarHBondContact O-N 2.94Å; I254-S257 VanDerWaalsContact O-N 3.12Å; I254-S257 PolarHBondContact O-OG 3.25Å; S257-T260 PolarHBondContact O-N 3.4Å; S257-S261 PolarHBondContact O-N 2.62Å |
| 258 | L | 97.2 | Very high | 96.9 | Very high | 95 Ų | 95 | 104.8 Ų | 104.8 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -54.9 | 175 | -177.1 | 69 | 0 | 0 | 0 | 110.5 | I254 S255 Q256 T260 S261 E262 | I254-L258 PolarHBondContact O-N 3.43Å; S255-L258 PolarHBondContact O-N 2.88Å; Q256-L258 VanDerWaalsContact C-N 3.34Å; Q256-L258 PolarHBondContact O-N 2.89Å; L258-T260 VanDerWaalsContact C-N 3.25Å; L258-T260 PolarHBondContact O-N 3.3Å; L258-S261 CarbonylContact O-C 3.48Å; L258-S261 WeakPolarHBondContact O-CA 3.4Å; L258-S261 WeakPolarHBondContact O-CB 3.34Å; L258-S261 PolarHBondContact O-N 2.91Å; L258-S261 PolarHBondContact O-OG 3.27Å; L258-E262 PolarHBondContact O-N 3.5Å |
| 259 | L | 96.5 | Very high | 96.9 | Very high | 102 Ų | 102 | 102.7 Ų | 102.7 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.2 | -37.9 | 177 | -71.6 | 166.8 | 0 | 0 | 0 | 112.3 | S255 Q256 E262 L263 | S255-L259 WeakPolarHBondContact O-CG 3.22Å; S255-L259 PolarHBondContact O-N 2.72Å; Q256-L259 PolarHBondContact O-N 2.73Å; L259-E262 PolarHBondContact O-N 2.86Å; L259-L263 WeakPolarHBondContact O-CB 3.36Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 2.91Å |
| 260 | T | 97.1 | Very high | 97 | Very high | 84 Ų | 84 | 105.2 Ų | 105.2 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 175 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | Q256 S257 L258 K264 | Q256-T260 VanDerWaalsContact O-CB 3.31Å; Q256-T260 WeakPolarHBondContact O-CB 3.21Å; Q256-T260 PolarHBondContact O-N 3.11Å; Q256-T260 PolarHBondContact O-OG1 3.1Å; S257-T260 PolarHBondContact O-N 3.4Å; L258-T260 VanDerWaalsContact C-N 3.25Å; L258-T260 PolarHBondContact O-N 3.3Å; T260-K264 PolarHBondContact O-N 3.1Å |
| 261 | S | 96.1 | Very high | 97 | Very high | 63 Ų | 63 | 103.8 Ų | 103.8 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 175.5 | 80 | 0 | 0 | 0 | 0 | 112.8 | S257 L258 K264 N265 | S257-S261 PolarHBondContact O-N 2.62Å; L258-S261 CarbonylContact O-C 3.48Å; L258-S261 WeakPolarHBondContact O-CA 3.4Å; L258-S261 WeakPolarHBondContact O-CB 3.34Å; L258-S261 PolarHBondContact O-N 2.91Å; L258-S261 PolarHBondContact O-OG 3.27Å; S261-K264 PolarHBondContact O-N 2.94Å; S261-N265 WeakPolarHBondContact O-CB 3.26Å; S261-N265 PolarHBondContact O-N 3.12Å |
| 262 | E | 97 | Very high | 97 | Very high | 96 Ų | 96 | 103 Ų | 103 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 174.3 | -71.2 | -178.7 | 178 | 0 | 0 | 111.5 | L258 L259 K264 N265 L266 | L258-E262 PolarHBondContact O-N 3.5Å; L259-E262 PolarHBondContact O-N 2.86Å; E262-K264 VanDerWaalsContact C-N 3.29Å; E262-K264 PolarHBondContact O-N 2.92Å; E262-N265 PolarHBondContact O-N 3.49Å; E262-L266 WeakPolarHBondContact O-CB 3.37Å; E262-L266 WeakPolarHBondContact O-CG 3.26Å; E262-L266 PolarHBondContact O-N 3.36Å |
| 263 | L | 97.4 | Very high | 97 | Very high | 122 Ų | 122 | 102.7 Ų | 102.7 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.5 | -38.1 | 173.4 | -74.4 | 174.4 | 0 | 0 | 0 | 112.2 | L259 R267 | L259-L263 WeakPolarHBondContact O-CB 3.36Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 2.91Å; L263-R267 WeakPolarHBondContact O-CB 3.44Å; L263-R267 PolarHBondContact O-N 3.22Å |
| 264 | K | 97 | Very high | 97 | Very high | 134 Ų | 134 | 101.2 Ų | 101.2 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -50.4 | 172.5 | -176.5 | -177.8 | 173.1 | -176.2 | 0 | 111.4 | T260 S261 E262 L266 R267 D268 | T260-K264 PolarHBondContact O-N 3.1Å; S261-K264 PolarHBondContact O-N 2.94Å; E262-K264 VanDerWaalsContact C-N 3.29Å; E262-K264 PolarHBondContact O-N 2.92Å; K264-L266 VanDerWaalsContact C-N 3.29Å; K264-L266 PolarHBondContact O-N 3.4Å; K264-R267 WeakPolarHBondContact O-CA 3.32Å; K264-R267 WeakPolarHBondContact O-CB 3.41Å; K264-R267 PolarHBondContact O-N 3.25Å; K264-D268 PolarHBondContact O-N 3.27Å |
| 265 | N | 97.4 | Very high | 97 | Very high | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58 | -40.5 | 178.7 | -174.7 | -32.8 | 0 | 0 | 0 | 111.9 | S261 E262 K269 | S261-N265 WeakPolarHBondContact O-CB 3.26Å; S261-N265 PolarHBondContact O-N 3.12Å; E262-N265 PolarHBondContact O-N 3.49Å; N265-K269 WeakPolarHBondContact O-CG 3.45Å; N265-K269 PolarHBondContact O-N 3.04Å; N265-K269 WeakPolarHBondContact OD1-CE 3.3Å; N265-K269 PolarHBondContact OD1-NZ 3.07Å |
| 266 | L | 96 | Very high | 97.1 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 172.8 | -72.4 | 173.1 | 0 | 0 | 0 | 112 | E262 K264 K269 Y270 | E262-L266 WeakPolarHBondContact O-CB 3.37Å; E262-L266 WeakPolarHBondContact O-CG 3.26Å; E262-L266 PolarHBondContact O-N 3.36Å; K264-L266 VanDerWaalsContact C-N 3.29Å; K264-L266 PolarHBondContact O-N 3.4Å; L266-K269 PolarHBondContact O-N 2.86Å; L266-Y270 HydrophobicContact CB-CE2 4.22Å; L266-Y270 WeakPolarHBondContact O-CD2 3.39Å; L266-Y270 PolarHBondContact O-N 3.3Å |
| 267 | R | 97.9 | Very high | 97.1 | Very high | 173 Ų | 173 | 102.3 Ų | 102.3 | 65% | 0.653 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.9 | -50 | 174 | -179.2 | 179.3 | -64.4 | -152 | -0.2 | 111.5 | L263 K264 K269 Y270 D271 | L263-R267 WeakPolarHBondContact O-CB 3.44Å; L263-R267 PolarHBondContact O-N 3.22Å; K264-R267 WeakPolarHBondContact O-CA 3.32Å; K264-R267 WeakPolarHBondContact O-CB 3.41Å; K264-R267 PolarHBondContact O-N 3.25Å; R267-K269 PolarHBondContact O-N 2.76Å; R267-Y270 PolarHBondContact O-N 3.44Å; R267-D271 PolarHBondContact O-N 3.48Å |
| 268 | D | 97.3 | Very high | 97.1 | Very high | 83 Ų | 83 | 102 Ų | 102 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.7 | -39.7 | -180 | -62.2 | -19 | 0 | 0 | 0 | 110.8 | K264 D271 E272 | K264-D268 PolarHBondContact O-N 3.27Å; D268-D271 PolarHBondContact O-N 2.73Å; D268-E272 WeakPolarHBondContact O-CB 3.46Å; D268-E272 PolarHBondContact O-N 3.25Å |
| 269 | K | 97.3 | Very high | 97 | Very high | 103 Ų | 103 | 103.6 Ų | 103.6 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 172.5 | -75.6 | 166.2 | 173.9 | 155.7 | 0 | 113.9 | N265 L266 R267 E272 C273 | N265-K269 WeakPolarHBondContact O-CG 3.45Å; N265-K269 PolarHBondContact O-N 3.04Å; N265-K269 WeakPolarHBondContact OD1-CE 3.3Å; N265-K269 PolarHBondContact OD1-NZ 3.07Å; L266-K269 PolarHBondContact O-N 2.86Å; R267-K269 PolarHBondContact O-N 2.76Å; K269-E272 PolarHBondContact O-N 2.9Å; K269-C273 PolarHBondContact O-N 2.68Å; K269-C273 PolarHBondContact O-SG 3.41Å |
| 270 | Y | 98.1 | Very high | 97 | Very high | 165 Ų | 165 | 100.9 Ų | 100.9 | 65% | 0.647 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 175.4 | -74.4 | -60.6 | 0 | 0 | 0 | 111.2 | L266 R267 C273 L274 | L266-Y270 HydrophobicContact CB-CE2 4.22Å; L266-Y270 WeakPolarHBondContact O-CD2 3.39Å; L266-Y270 PolarHBondContact O-N 3.3Å; R267-Y270 PolarHBondContact O-N 3.44Å; Y270-C273 PolarHBondContact O-N 3.48Å; Y270-L274 WeakPolarHBondContact O-CB 3.15Å; Y270-L274 PolarHBondContact O-N 3.33Å |
| 271 | D | 97.8 | Very high | 97 | Very high | 84 Ų | 84 | 103 Ų | 103 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.3 | -72 | -30.3 | 0 | 0 | 0 | 111.2 | R267 D268 L274 T275 | R267-D271 PolarHBondContact O-N 3.48Å; D268-D271 PolarHBondContact O-N 2.73Å; D271-L274 WeakPolarHBondContact O-CB 3.31Å; D271-L274 PolarHBondContact O-N 2.93Å; D271-T275 WeakPolarHBondContact O-CG2 3.48Å; D271-T275 PolarHBondContact O-N 3.36Å |
| 272 | E | 97 | Very high | 96.9 | Very high | 115 Ų | 115 | 104.8 Ų | 104.8 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 170 | -176.1 | -179.7 | -163.7 | 0 | 0 | 112.2 | D268 K269 L274 T275 L276 | D268-E272 WeakPolarHBondContact O-CB 3.46Å; D268-E272 PolarHBondContact O-N 3.25Å; K269-E272 PolarHBondContact O-N 2.9Å; E272-L274 PolarHBondContact O-N 3.06Å; E272-T275 PolarHBondContact O-N 2.9Å; E272-T275 PolarHBondContact O-OG1 2.99Å; E272-L276 HydrophobicContact CG-CD1 4.27Å; E272-L276 WeakPolarHBondContact O-CG 3.37Å; E272-L276 PolarHBondContact O-N 2.89Å |
| 273 | C | 97.3 | Very high | 96.8 | Very high | 78 Ų | 78 | 106.1 Ų | 106.1 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 174.6 | -66.3 | 0 | 0 | 0 | 0 | 112 | K269 Y270 Y277 | K269-C273 PolarHBondContact O-N 2.68Å; K269-C273 PolarHBondContact O-SG 3.41Å; Y270-C273 PolarHBondContact O-N 3.48Å; C273-Y277 VanDerWaalsContact O-CB 3.28Å; C273-Y277 WeakPolarHBondContact O-CB 3.37Å; C273-Y277 PolarHBondContact O-N 2.8Å |
| 274 | L | 97.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 104.1 Ų | 104.1 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.8 | -35.7 | 178.8 | -176.5 | 61.6 | 0 | 0 | 0 | 112.4 | Y270 D271 E272 Y277 N278 | Y270-L274 WeakPolarHBondContact O-CB 3.15Å; Y270-L274 PolarHBondContact O-N 3.33Å; D271-L274 WeakPolarHBondContact O-CB 3.31Å; D271-L274 PolarHBondContact O-N 2.93Å; E272-L274 PolarHBondContact O-N 3.06Å; L274-Y277 HydrophobicContact CD1-CD1 4.48Å; L274-N278 WeakPolarHBondContact O-CB 3.26Å; L274-N278 PolarHBondContact O-N 2.94Å; L274-N278 PolarHBondContact O-ND2 2.84Å |
| 275 | T | 96.9 | Very high | 96.3 | Very high | 90 Ų | 90 | 103.4 Ų | 103.4 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.8 | -48.1 | 173.1 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | D271 E272 Y277 N278 E279 | D271-T275 WeakPolarHBondContact O-CG2 3.48Å; D271-T275 PolarHBondContact O-N 3.36Å; E272-T275 PolarHBondContact O-N 2.9Å; E272-T275 PolarHBondContact O-OG1 2.99Å; T275-Y277 VanDerWaalsContact C-N 3.33Å; T275-Y277 PolarHBondContact O-N 3.08Å; T275-N278 PolarHBondContact O-N 3.02Å; T275-N278 VanDerWaalsContact O-N 3.1Å; T275-E279 WeakPolarHBondContact O-CB 3.39Å; T275-E279 PolarHBondContact O-N 3.33Å |
| 276 | L | 96.5 | Very high | 96.1 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 175.8 | -68.4 | 171.7 | 0 | 0 | 0 | 112.3 | E272 E279 A280 | E272-L276 HydrophobicContact CG-CD1 4.27Å; E272-L276 WeakPolarHBondContact O-CG 3.37Å; E272-L276 PolarHBondContact O-N 2.89Å; L276-E279 PolarHBondContact O-N 2.79Å; L276-A280 WeakPolarHBondContact O-CB 3.46Å; L276-A280 PolarHBondContact O-N 3.11Å |
| 277 | Y | 97.1 | Very high | 95.7 | Very high | 142 Ų | 142 | 101.4 Ų | 101.4 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 173.5 | 173.3 | -95.5 | 0 | 0 | 0 | 112.3 | C273 L274 T275 R281 | C273-Y277 VanDerWaalsContact O-CB 3.28Å; C273-Y277 WeakPolarHBondContact O-CB 3.37Å; C273-Y277 PolarHBondContact O-N 2.8Å; L274-Y277 HydrophobicContact CD1-CD1 4.48Å; T275-Y277 VanDerWaalsContact C-N 3.33Å; T275-Y277 PolarHBondContact O-N 3.08Å; Y277-R281 VanDerWaalsContact O-CB 3.24Å; Y277-R281 WeakPolarHBondContact O-CB 3.24Å; Y277-R281 PolarHBondContact O-N 3.33Å |
| 278 | N | 97 | Very high | 95.3 | Very high | 64 Ų | 64 | 101.4 Ų | 101.4 | 34% | 0.342 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 178.2 | -78.9 | -54.5 | 0 | 0 | 0 | 112.1 | L274 T275 R281 L282 | L274-N278 WeakPolarHBondContact O-CB 3.26Å; L274-N278 PolarHBondContact O-N 2.94Å; L274-N278 PolarHBondContact O-ND2 2.84Å; T275-N278 PolarHBondContact O-N 3.02Å; T275-N278 VanDerWaalsContact O-N 3.1Å; N278-R281 PolarHBondContact O-N 3.34Å; N278-L282 WeakPolarHBondContact O-CB 3.37Å; N278-L282 VanDerWaalsContact O-CG 3.3Å; N278-L282 WeakPolarHBondContact O-CG 3.34Å; N278-L282 PolarHBondContact O-N 2.65Å |
| 279 | E | 95.6 | Very high | 94.7 | Very high | 128 Ų | 128 | 104.3 Ų | 104.3 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.8 | -53.4 | 173.3 | -176.7 | 170.5 | -163 | 0 | 0 | 111 | T275 L276 R281 L282 E283 | T275-E279 WeakPolarHBondContact O-CB 3.39Å; T275-E279 PolarHBondContact O-N 3.33Å; L276-E279 PolarHBondContact O-N 2.79Å; E279-R281 PolarHBondContact O-N 3.34Å; E279-L282 CarbonylContact O-C 3.52Å; E279-L282 WeakPolarHBondContact O-CA 3.25Å; E279-L282 WeakPolarHBondContact O-CB 3.36Å; E279-L282 PolarHBondContact O-N 2.78Å; E279-E283 PolarHBondContact O-N 3.42Å |
| 280 | A | 96.1 | Very high | 93.9 | Very high | 45 Ų | 45 | 108.3 Ų | 108.3 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L276 E283 I284 | L276-A280 WeakPolarHBondContact O-CB 3.46Å; L276-A280 PolarHBondContact O-N 3.11Å; A280-E283 PolarHBondContact O-N 2.86Å; A280-I284 WeakPolarHBondContact O-CB 3.48Å; A280-I284 VanDerWaalsContact O-CG1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.31Å; A280-I284 PolarHBondContact O-N 2.95Å |
| 281 | R | 96.7 | Very high | 92.8 | Very high | 130 Ų | 130 | 104.5 Ų | 104.5 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -33.7 | 175 | -173.8 | 179 | 177.5 | -161.6 | 2.1 | 112.7 | Y277 N278 E279 R285 | Y277-R281 VanDerWaalsContact O-CB 3.24Å; Y277-R281 WeakPolarHBondContact O-CB 3.24Å; Y277-R281 PolarHBondContact O-N 3.33Å; N278-R281 PolarHBondContact O-N 3.34Å; E279-R281 PolarHBondContact O-N 3.34Å; R281-R285 WeakPolarHBondContact O-CB 3.44Å; R281-R285 PolarHBondContact O-N 3.35Å; R281-R285 VanDerWaalsContact O-N 3.16Å |
| 282 | L | 95.2 | Very high | 91.4 | Very high | 100 Ų | 100 | 109.8 Ų | 109.8 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.8 | -39 | 172.8 | -74.3 | 172.9 | 0 | 0 | 0 | 111.5 | N278 E279 R285 G286 | N278-L282 WeakPolarHBondContact O-CB 3.37Å; N278-L282 VanDerWaalsContact O-CG 3.3Å; N278-L282 WeakPolarHBondContact O-CG 3.34Å; N278-L282 PolarHBondContact O-N 2.65Å; E279-L282 CarbonylContact O-C 3.52Å; E279-L282 WeakPolarHBondContact O-CA 3.25Å; E279-L282 WeakPolarHBondContact O-CB 3.36Å; E279-L282 PolarHBondContact O-N 2.78Å; L282-R285 CarbonylContact O-C 3.52Å; L282-R285 WeakPolarHBondContact O-CB 3.35Å; L282-R285 PolarHBondContact O-N 2.98Å; L282-G286 PolarHBondContact O-N 3.38Å |
| 283 | E | 93.6 | Very high | 89.6 | Confident | 124 Ų | 124 | 115.4 Ų | 115.4 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.9 | -51 | 174.6 | -168.3 | -171.6 | -175.4 | 0 | 0 | 110.6 | E279 A280 R285 G286 L287 | E279-E283 PolarHBondContact O-N 3.42Å; A280-E283 PolarHBondContact O-N 2.86Å; E283-R285 PolarHBondContact O-N 3.33Å; E283-G286 CarbonylContact O-C 3.58Å; E283-G286 WeakPolarHBondContact O-CA 3.36Å; E283-G286 PolarHBondContact O-N 2.87Å; E283-L287 HydrophobicContact CG-CD1 4.24Å; E283-L287 HydrophobicContact CG-CG 4.4Å; E283-L287 WeakPolarHBondContact O-CG 3.5Å; E283-L287 PolarHBondContact O-N 3.4Å |
| 284 | I | 91.3 | Very high | 87.7 | Confident | 79 Ų | 79 | 114.3 Ų | 114.3 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -55.9 | -39 | 173.5 | -69.5 | 165.2 | 0 | 0 | 0 | 111 | A280 R288 | A280-I284 WeakPolarHBondContact O-CB 3.48Å; A280-I284 VanDerWaalsContact O-CG1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.31Å; A280-I284 PolarHBondContact O-N 2.95Å; I284-R288 HydrophobicContact CG2-CG 4.48Å; I284-R288 WeakPolarHBondContact O-CB 3.45Å; I284-R288 WeakPolarHBondContact O-CG 3.18Å; I284-R288 PolarHBondContact O-N 3.33Å |
| 285 | R | 93 | Very high | 85.3 | Confident | 120 Ų | 120 | 118.6 Ų | 118.6 | 45% | 0.453 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.1 | -38 | 175.3 | -167.4 | -173.4 | -58.5 | 177.3 | 2.7 | 111.7 | R281 L282 E283 K289 | R281-R285 WeakPolarHBondContact O-CB 3.44Å; R281-R285 PolarHBondContact O-N 3.35Å; R281-R285 VanDerWaalsContact O-N 3.16Å; L282-R285 CarbonylContact O-C 3.52Å; L282-R285 WeakPolarHBondContact O-CB 3.35Å; L282-R285 PolarHBondContact O-N 2.98Å; E283-R285 PolarHBondContact O-N 3.33Å; R285-K289 WeakPolarHBondContact O-CB 3.33Å; R285-K289 WeakPolarHBondContact O-CG 3.4Å; R285-K289 PolarHBondContact O-N 3.25Å |
| 286 | G | 92.2 | Very high | 83 | Confident | 35 Ų | 35 | 125.6 Ų | 125.6 | 36% | 0.361 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.9 | -47.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L282 E283 R288 K289 R290 | L282-G286 PolarHBondContact O-N 3.38Å; E283-G286 CarbonylContact O-C 3.58Å; E283-G286 WeakPolarHBondContact O-CA 3.36Å; E283-G286 PolarHBondContact O-N 2.87Å; G286-R288 PolarHBondContact O-N 3.45Å; G286-K289 WeakPolarHBondContact O-CB 3.28Å; G286-K289 PolarHBondContact O-N 3Å; G286-R290 WeakPolarHBondContact O-CB 3.23Å; G286-R290 PolarHBondContact O-N 2.96Å |
| 287 | L | 88.5 | Confident | 80.5 | Confident | 86 Ų | 86 | 132.6 Ų | 132.6 | 45% | 0.45 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.5 | -42.7 | 173.9 | -67.7 | 174.7 | 0 | 0 | 0 | 111.4 | E283 R290 S291 | E283-L287 HydrophobicContact CG-CD1 4.24Å; E283-L287 HydrophobicContact CG-CG 4.4Å; E283-L287 WeakPolarHBondContact O-CG 3.5Å; E283-L287 PolarHBondContact O-N 3.4Å; L287-R290 PolarHBondContact O-N 2.88Å; L287-S291 VanDerWaalsContact O-CB 3.24Å; L287-S291 WeakPolarHBondContact O-CB 3.47Å; L287-S291 PolarHBondContact O-N 3.44Å |
| 288 | R | 90.5 | Very high | 77.8 | Confident | 173 Ų | 173 | 130.8 Ų | 130.8 | 65% | 0.653 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.8 | -39.3 | 173 | -73.7 | 171.4 | -175.4 | 177.6 | 4.6 | 112.7 | I284 G286 R292 | I284-R288 HydrophobicContact CG2-CG 4.48Å; I284-R288 WeakPolarHBondContact O-CB 3.45Å; I284-R288 WeakPolarHBondContact O-CG 3.18Å; I284-R288 PolarHBondContact O-N 3.33Å; G286-R288 PolarHBondContact O-N 3.45Å; R288-R292 WeakPolarHBondContact O-CB 3.28Å; R288-R292 WeakPolarHBondContact O-CG 3.47Å; R288-R292 PolarHBondContact O-N 3.31Å |
| 289 | K | 83.5 | Confident | 75.1 | Confident | 144 Ų | 144 | 135.3 Ų | 135.3 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.7 | -39.8 | 173.5 | -78.2 | 178 | 177 | -174.1 | 0 | 112.1 | R285 G286 R293 | R285-K289 WeakPolarHBondContact O-CB 3.33Å; R285-K289 WeakPolarHBondContact O-CG 3.4Å; R285-K289 PolarHBondContact O-N 3.25Å; G286-K289 WeakPolarHBondContact O-CB 3.28Å; G286-K289 PolarHBondContact O-N 3Å; K289-R293 PolarHBondContact O-N 3.48Å |
| 290 | R | 80.2 | Confident | 72.6 | Confident | 188 Ų | 188 | 133.7 Ų | 133.7 | 71% | 0.709 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.1 | -43.8 | 177.1 | -176.9 | 140 | 57.2 | -178.1 | -1.9 | 111.5 | G286 L287 R292 R293 | G286-R290 WeakPolarHBondContact O-CB 3.23Å; G286-R290 PolarHBondContact O-N 2.96Å; L287-R290 PolarHBondContact O-N 2.88Å; R290-R292 PolarHBondContact O-N 3.11Å; R290-R293 PolarHBondContact O-N 3Å; R290-R293 VanDerWaalsContact O-N 3.08Å |
| 291 | S | 75.1 | Confident | 70.3 | Confident | 84 Ų | 84 | 138.8 Ų | 138.8 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -57.4 | -45.1 | 171.9 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | L287 R293 G294 | L287-S291 VanDerWaalsContact O-CB 3.24Å; L287-S291 WeakPolarHBondContact O-CB 3.47Å; L287-S291 PolarHBondContact O-N 3.44Å; S291-R293 PolarHBondContact O-N 3.12Å; S291-G294 PolarHBondContact O-N 2.79Å |
| 292 | R | 68.3 | Low | 67.8 | Low | 195 Ų | 195 | 139.7 Ų | 139.7 | 74% | 0.736 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -11.9 | 175.8 | -74.3 | -173.3 | -174.9 | -106.8 | 4 | 115.1 | R288 R290 Y295 | R288-R292 WeakPolarHBondContact O-CB 3.28Å; R288-R292 WeakPolarHBondContact O-CG 3.47Å; R288-R292 PolarHBondContact O-N 3.31Å; R290-R292 PolarHBondContact O-N 3.11Å; R292-Y295 WeakPolarHBondContact O-CD2 3.18Å |
| 293 | R | 59.4 | Low | 65 | Low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.879 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 4.7 | 170.6 | -72.9 | -167.4 | 176.3 | -144.1 | 0.2 | 113.5 | K289 R290 S291 | K289-R293 PolarHBondContact O-N 3.48Å; R290-R293 PolarHBondContact O-N 3Å; R290-R293 VanDerWaalsContact O-N 3.08Å; S291-R293 PolarHBondContact O-N 3.12Å |
| 294 | G | 56.6 | Low | 62.3 | Low | 55 Ų | 55 | 139 Ų | 139 | 57% | 0.567 | 68% | 0.676 | S | S | * | * | trans | -87.3 | 4.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116.8 | S291 Y296 | S291-G294 PolarHBondContact O-N 2.79Å; G294-Y296 VanDerWaalsContact C-N 3.33Å; G294-Y296 PolarHBondContact O-N 3.41Å | ||
| 295 | Y | 47.6 | Very low | 59.4 | Low | 181 Ų | 181 | 140.8 Ų | 140.8 | 71% | 0.71 | 70% | 0.695 | S | S | * | * | trans | -80.9 | 65.7 | -171.8 | -66.7 | -71.6 | 0 | 0 | 0 | 114.6 | R292 | R292-Y295 WeakPolarHBondContact O-CD2 3.18Š| ||
| 296 | Y | 49.1 | Very low | 56.8 | Low | 237 Ų | 237 | 140.6 Ų | 140.6 | 93% | 0.929 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -154.3 | 55.1 | 157.9 | -83.1 | -62 | 0 | 0 | 0 | 113.4 | G294 | G294-Y296 VanDerWaalsContact C-N 3.33Å; G294-Y296 PolarHBondContact O-N 3.41Å |
| 297 | R | 42.9 | Very low | 54.7 | Low | 242 Ų | 242 | 145.7 Ų | 145.7 | 91% | 0.913 | 74% | 0.736 | S | S | * | * | trans | -166.7 | 136.5 | 143.8 | -123.3 | -169.5 | 175.8 | -152.2 | -0.5 | 112.1 | ||||
| 298 | P | 42.2 | Very low | 52.6 | Low | 103 Ų | 103 | 147.2 Ų | 147.2 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -100 | 160.6 | -179.9 | 37.9 | -34.1 | 0 | 0 | 0 | 113.9 | ||||
| 299 | N | 39.2 | Very low | 50 | Low | 159 Ų | 159 | 146.7 Ų | 146.7 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | 68.7 | 146.8 | 167 | -52.7 | -10.6 | 0 | 0 | 0 | 115.6 | ||||
| 300 | S | 43.4 | Very low | 47.9 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | cis | -151.8 | 134.9 | 11.7 | -156 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 301 | L | 46.9 | Very low | 46 | Very low | 151 Ų | 151 | 141 Ų | 141 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 45.7 | 144.8 | 137.8 | -58.7 | 175.9 | 0 | 0 | 0 | 123.9 | ||||
| 302 | I | 45.7 | Very low | 44.2 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 86.3 | 79.2 | 157.6 | -54.6 | 134.4 | 0 | 0 | 0 | 117.9 | ||||
| 303 | S | 36.8 | Very low | 42.7 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | 28.6 | 126.6 | 116.1 | -51.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 304 | S | 35.4 | Very low | 42.3 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 79.5 | 90.2 | 131.9 | -56.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 305 | S | 31.9 | Very low | 41.3 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 44.9 | 116.5 | 122 | 63.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 306 | S | 36.7 | Very low | 41.1 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | 168.7 | 100.6 | 130.3 | 178.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 307 | V | 49 | Very low | 40.9 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -156.2 | 102.2 | 159.2 | -114.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 308 | V | 43.3 | Very low | 41 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | trans | 17.2 | 134.2 | 149.8 | -71.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 309 | N | 37.1 | Very low | 40.9 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | 174.5 | 73 | 139.4 | -89.6 | -18.4 | 0 | 0 | 0 | 109.3 | ||||
| 310 | T | 39.5 | Very low | 41.1 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | 80.8 | 97.7 | 84.1 | -50.4 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 311 | A | 39.3 | Very low | 40.7 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | 58.9 | 143.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 312 | I | 37.6 | Very low | 40.2 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | cis | -139.4 | 124.5 | 25.3 | -62.4 | 162.9 | 0 | 0 | 0 | 110.5 | ||||
| 313 | L | 36.8 | Very low | 39.8 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -170.8 | 126.9 | 166 | -119.4 | 149.3 | 0 | 0 | 0 | 111.4 | ||||
| 314 | P | 50.9 | Low | 39.8 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -102.7 | 135.9 | 170.7 | 3.5 | 17.4 | 0 | 0 | 0 | 113 | ||||
| 315 | S | 36.9 | Very low | 39.9 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -109.5 | 146 | 172.6 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 316 | L | 43.7 | Very low | 40.3 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 27.9 | 144.4 | 154.9 | -88.5 | 73.6 | 0 | 0 | 0 | 122.1 | ||||
| 317 | P | 44.1 | Very low | 40.4 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -120.1 | 161.3 | 137.1 | 36.6 | -28 | 0 | 0 | 0 | 113.9 | ||||
| 318 | P | 45.3 | Very low | 39.8 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -111.2 | -165.8 | -171 | 43.2 | -35.7 | 0 | 0 | 0 | 115 | ||||
| 319 | S | 39.7 | Very low | 39.4 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | trans | 89.3 | 139.8 | 179.2 | 73.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 320 | Y | 42.8 | Very low | 39.4 | Very low | 226 Ų | 226 | 131.1 Ų | 131.1 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | cis | -131 | 149.1 | 21.7 | -70.9 | -98.7 | 0 | 0 | 0 | 114.3 | ||||
| 321 | L | 35.6 | Very low | 39.2 | Very low | 167 Ų | 167 | 133 Ų | 133 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -141.9 | 119.8 | 169.5 | -141.6 | -179.6 | 0 | 0 | 0 | 108.6 | ||||
| 322 | N | 37.1 | Very low | 39 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -172.4 | 129.7 | 166.4 | -127.2 | 17.3 | 0 | 0 | 0 | 108 | ||||
| 323 | G | 36 | Very low | 38.6 | Very low | 56 Ų | 56 | 134.7 Ų | 134.7 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | cis | 169.7 | 152.7 | -10 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 324 | A | 37.7 | Very low | 38.4 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | 66.7 | 148.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 325 | A | 37.7 | Very low | 37.5 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | cis | -170.4 | 148 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 326 | L | 38.4 | Very low | 37.2 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | 64.6 | 145.1 | 154.2 | -53.7 | 165.4 | 0 | 0 | 0 | 117.5 | ||||
| 327 | T | 39.1 | Very low | 36.7 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | cis | -159.5 | 161.1 | -4.7 | 9.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 328 | P | 36.1 | Very low | 36 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -107.5 | 152.6 | -171.6 | 38.8 | -31 | 0 | 0 | 0 | 114.9 | ||||
| 329 | Q | 35.6 | Very low | 35.4 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -168 | 151.2 | 140.8 | -130.7 | 169.4 | -88.5 | 0 | 0 | 115.8 | ||||
| 330 | S | 37.9 | Very low | 35 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | 61.3 | 118.9 | 154.8 | 50.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 331 | D | 33.7 | Very low | 34.6 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -40 | 150.3 | 153.7 | -45.5 | -78.9 | 0 | 0 | 0 | 114 | ||||
| 332 | Q | 35.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | 170.4 | 120 | 101.4 | -167.8 | 156.3 | 18.9 | 0 | 0 | 112.4 | |||||
| 333 | D | 30.7 | Very low | 34.4 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 43.8 | 129.7 | 152.3 | -58.1 | -38.9 | 0 | 0 | 0 | 124 | ||||
| 334 | H | 31.9 | Very low | 34.2 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 81.3 | 144.1 | 149.5 | -63.8 | -49.6 | 0 | 0 | 0 | 122.1 | ||||
| 335 | L | 32.5 | Very low | 34 | Very low | 172 Ų | 172 | 138 Ų | 138 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | trans | 75.8 | 89.5 | 165.9 | -61.6 | 167.2 | 0 | 0 | 0 | 118.4 | H337 | L335-H337 PolarHBondContact O-N 2.82Š| ||
| 336 | Y | 30.3 | Very low | 33.7 | Very low | 242 Ų | 242 | 142.6 Ų | 142.6 | 95% | 0.949 | 76% | 0.764 | S | S | * | * | trans | -65.7 | 118.1 | 157.1 | -93.7 | -94 | 0 | 0 | 0 | 110.9 | ||||
| 337 | H | 32 | Very low | 33.5 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | trans | -137.8 | 147.2 | 156.5 | -161 | 69.3 | 0 | 0 | 0 | 112 | L335 | L335-H337 PolarHBondContact O-N 2.82Š| ||
| 338 | C | 29.4 | Very low | 33.3 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 47% | 0.473 | 76% | 0.755 | S | S | . | * | trans | -46 | 155.9 | -173.7 | -54.6 | 0 | 0 | 0 | 0 | 117.7 | H340 | C338-H340 VanDerWaalsContact CB-CE1 3.46Å; C338-H340 WeakPolarHBondContact CB-CE1 3.42Å | ||
| 339 | H | 34.1 | Very low | 33.4 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | -169.9 | 106.7 | 115.4 | -76.4 | -40.1 | 0 | 0 | 0 | 109 | |||||
| 340 | H | 31 | Very low | 33.5 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | 68.9 | 123.2 | 89.5 | -48.7 | -27.7 | 0 | 0 | 0 | 116.8 | C338 | C338-H340 VanDerWaalsContact CB-CE1 3.46Å; C338-H340 WeakPolarHBondContact CB-CE1 3.42Å | |||
| 341 | S | 34.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 155.4 | 133.2 | 134.4 | -74.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 342 | S | 35 | Very low | 33.4 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | cis | -163.4 | 147.1 | -3.3 | -159 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 343 | L | 33.3 | Very low | 33.6 | Very low | 161 Ų | 161 | 138 Ų | 138 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | 79.2 | 131.4 | 159.5 | -58.9 | 139.3 | 0 | 0 | 0 | 118.7 | ||||
| 344 | S | 32.2 | Very low | 33.9 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -158.8 | 117.6 | -9.5 | -179.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 345 | A | 32.5 | Very low | 34.3 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | trans | 24.9 | 148.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 346 | H | 32.9 | Very low | 34.4 | Very low | 173 Ų | 173 | 133 Ų | 133 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | cis | -170.6 | 127 | -24.6 | -107.2 | -73.1 | 0 | 0 | 0 | 105.5 | ||||
| 347 | Q | 34.3 | Very low | 34.9 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | 73.7 | 92.6 | 74.5 | -138.5 | 74.1 | 19.5 | 0 | 0 | 113.3 | |||||
| 348 | L | 35 | Very low | 35.1 | Very low | 141 Ų | 141 | 129 Ų | 129 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | 71.6 | 140.3 | 94.5 | -64.8 | -173 | 0 | 0 | 0 | 118.1 | |||||
| 349 | V | 37.1 | Very low | 35.6 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -136.3 | 138.9 | 153.6 | 177 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 350 | S | 37.8 | Very low | 35.6 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | 169.7 | 92.6 | -31.3 | -95.2 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 351 | D | 36.4 | Very low | 35.8 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 94% | 0.941 | 79% | 0.793 | S | S | * | * | trans | -81 | 137 | 173.4 | -77.1 | -42.3 | 0 | 0 | 0 | 110.9 | ||||
| 352 | G | 33.5 | Very low | 35.9 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -93.2 | 122.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 353 | S | 38.7 | Very low | 35.8 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -145.8 | 116.8 | 162.4 | -79.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 354 | T | 38.5 | Very low | 36 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -97.6 | 129 | -170.6 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 355 | S | 38.4 | Very low | 36.1 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 53.3 | 108 | 146.3 | 61.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 356 | S | 35.6 | Very low | 36.2 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -80.3 | 150.5 | 141.1 | -64.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 357 | L | 40.2 | Very low | 36.4 | Very low | 170 Ų | 170 | 131.5 Ų | 131.5 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -140.4 | 123 | 169.9 | -165.9 | 92.1 | 0 | 0 | 0 | 109.5 | ||||
| 358 | D | 36.3 | Very low | 36.5 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -82.5 | 140.9 | 171.4 | -67.1 | -62.7 | 0 | 0 | 0 | 111.4 | ||||
| 359 | M | 40 | Very low | 36.9 | Very low | 159 Ų | 159 | 133 Ų | 133 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | 173.7 | 128 | 105.6 | -109.4 | -169.5 | 48.9 | 0 | 0 | 114.7 | |||||
| 360 | L | 35.1 | Very low | 37.4 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 32.1 | 126.8 | 134.7 | -64.1 | 169.7 | 0 | 0 | 0 | 120.8 | ||||
| 361 | T | 35.7 | Very low | 38 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | -178.9 | 107.4 | 117.2 | -75.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 362 | T | 35.5 | Very low | 38.9 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | 64.5 | 120.3 | 136.4 | -49 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 363 | Q | 34.1 | Very low | 39.9 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | 59.7 | 98.9 | 150.2 | -68.8 | 171 | -4 | 0 | 0 | 121.1 | ||||
| 364 | N | 36.6 | Very low | 41.5 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | 166 | 148.8 | 99.8 | -86.7 | -54.5 | 0 | 0 | 0 | 111.5 | |||||
| 365 | P | 34.5 | Very low | 43.1 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -99.1 | 96.2 | -171.5 | 35.9 | -31 | 0 | 0 | 0 | 113.8 | ||||
| 366 | S | 33.5 | Very low | 44.7 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -179.5 | 64.8 | 159.7 | 58.4 | 0 | 0 | 0 | 0 | 115 | ||
| 367 | S | 37.5 | Very low | 46.6 | Very low | 83 Ų | 83 | 123.8 Ų | 123.8 | 58% | 0.58 | 69% | 0.694 | S | S | * | * | trans | -156.3 | 10.4 | 174.2 | -159.2 | 0 | 0 | 0 | 0 | 118.5 | H369 | S367-H369 PolarHBondContact O-N 2.8Š| ||
| 368 | D | 37.6 | Very low | 48.6 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 35.5 | -157.8 | -54.1 | -17.7 | 0 | 0 | 0 | 116.3 | ||
| 369 | H | 42 | Very low | 50.7 | Low | 171 Ų | 171 | 119.2 Ų | 119.2 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | -8 | 179.9 | -119.9 | -57.6 | 0 | 0 | 0 | 116.4 | S367 | S367-H369 PolarHBondContact O-N 2.8Š|
| 370 | L | 47.1 | Very low | 52.4 | Low | 138 Ų | 138 | 117.6 Ų | 117.6 | 72% | 0.723 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -100.1 | -41.7 | 177.7 | -109.7 | 81.4 | 0 | 0 | 0 | 114.1 | T372 S373 L374 | L370-T372 PolarHBondContact O-N 3.28Å; L370-S373 VanDerWaalsContact O-CB 3.3Å; L370-S373 WeakPolarHBondContact O-CB 3.32Å; L370-S373 PolarHBondContact O-N 2.83Å; L370-S373 VanDerWaalsContact O-N 3.1Å; L370-L374 PolarHBondContact O-N 3.44Å |
| 371 | E | 51.7 | Low | 54.8 | Low | 160 Ų | 160 | 113.2 Ų | 113.2 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.8 | -37 | -170.6 | -62.5 | -170.2 | 157.6 | 0 | 0 | 112.6 | S373 L374 A375 | E371-S373 VanDerWaalsContact C-N 3.26Å; E371-S373 PolarHBondContact O-N 2.8Å; E371-L374 PolarHBondContact O-N 3.27Å; E371-A375 PolarHBondContact O-N 3.48Å; E371-A375 VanDerWaalsContact O-N 3.12Å |
| 372 | T | 53.9 | Low | 57.1 | Low | 106 Ų | 106 | 115.2 Ų | 115.2 | 65% | 0.65 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.3 | -30.9 | 171.9 | -20.2 | 0 | 0 | 0 | 0 | 112.2 | L370 A376 | L370-T372 PolarHBondContact O-N 3.28Å; T372-A376 WeakPolarHBondContact O-CB 3.45Å; T372-A376 PolarHBondContact O-N 2.84Å |
| 373 | S | 54.9 | Low | 59.2 | Low | 61 Ų | 61 | 116 Ų | 116 | 43% | 0.427 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.7 | -48.1 | 172.9 | -165.6 | 0 | 0 | 0 | 0 | 110.3 | L370 E371 A375 A376 D377 | L370-S373 VanDerWaalsContact O-CB 3.3Å; L370-S373 WeakPolarHBondContact O-CB 3.32Å; L370-S373 PolarHBondContact O-N 2.83Å; L370-S373 VanDerWaalsContact O-N 3.1Å; E371-S373 VanDerWaalsContact C-N 3.26Å; E371-S373 PolarHBondContact O-N 2.8Å; S373-A375 VanDerWaalsContact C-N 3.32Å; S373-A375 PolarHBondContact O-N 2.99Å; S373-A376 CarbonylContact O-C 3.54Å; S373-A376 PolarHBondContact O-N 3.25Å; S373-A376 VanDerWaalsContact O-N 3.1Å; S373-D377 WeakPolarHBondContact O-CB 3.47Å; S373-D377 VanDerWaalsContact O-CG 3.24Å; S373-D377 PolarHBondContact O-N 3.37Å; S373-D377 VanDerWaalsContact O-OD2 3.04Å; S373-D377 PolarHBondContact OG-OD2 3.22Å; S373-D377 VanDerWaalsContact OG-OD2 3.05Å |
| 374 | L | 72.9 | Confident | 61.7 | Low | 126 Ų | 126 | 115 Ų | 115 | 66% | 0.66 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.7 | -34.2 | -175.4 | -163.9 | 137.5 | 0 | 0 | 0 | 112.7 | L370 E371 L378 | L370-L374 PolarHBondContact O-N 3.44Å; E371-L374 PolarHBondContact O-N 3.27Å; L374-L378 WeakPolarHBondContact O-CB 3.25Å; L374-L378 PolarHBondContact O-N 2.95Å |
| 375 | A | 71.7 | Confident | 63.8 | Low | 58 Ų | 58 | 114.1 Ų | 114.1 | 48% | 0.479 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.9 | -44.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E371 S373 L378 V379 | E371-A375 PolarHBondContact O-N 3.48Å; E371-A375 VanDerWaalsContact O-N 3.12Å; S373-A375 VanDerWaalsContact C-N 3.32Å; S373-A375 PolarHBondContact O-N 2.99Å; A375-L378 PolarHBondContact O-N 3.45Å; A375-V379 WeakPolarHBondContact O-CG2 3.39Å; A375-V379 PolarHBondContact O-N 3.01Å |
| 376 | A | 73.4 | Confident | 66.2 | Low | 49 Ų | 49 | 114.8 Ų | 114.8 | 41% | 0.405 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.6 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T372 S373 V379 H380 | T372-A376 WeakPolarHBondContact O-CB 3.45Å; T372-A376 PolarHBondContact O-N 2.84Å; S373-A376 CarbonylContact O-C 3.54Å; S373-A376 PolarHBondContact O-N 3.25Å; S373-A376 VanDerWaalsContact O-N 3.1Å; A376-V379 PolarHBondContact O-N 2.85Å; A376-H380 WeakPolarHBondContact O-CB 3.37Å; A376-H380 PolarHBondContact O-N 2.87Å |
| 377 | D | 75 | Confident | 68.7 | Low | 95 Ų | 95 | 111.6 Ų | 111.6 | 51% | 0.508 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.3 | -38.9 | 176.4 | -73.9 | -43.7 | 0 | 0 | 0 | 111.4 | S373 H380 A381 | S373-D377 WeakPolarHBondContact O-CB 3.47Å; S373-D377 VanDerWaalsContact O-CG 3.24Å; S373-D377 PolarHBondContact O-N 3.37Å; S373-D377 VanDerWaalsContact O-OD2 3.04Å; S373-D377 PolarHBondContact OG-OD2 3.22Å; S373-D377 VanDerWaalsContact OG-OD2 3.05Å; D377-H380 PolarHBondContact O-N 3.2Å; D377-A381 VanDerWaalsContact O-CB 3.23Å; D377-A381 WeakPolarHBondContact O-CB 3.49Å; D377-A381 PolarHBondContact O-N 3.31Å |
| 378 | L | 81.7 | Confident | 71.1 | Confident | 124 Ų | 124 | 113.3 Ų | 113.3 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.4 | -41.2 | 175.1 | -170 | 70.8 | 0 | 0 | 0 | 111.9 | L374 A375 A381 K382 | L374-L378 WeakPolarHBondContact O-CB 3.25Å; L374-L378 PolarHBondContact O-N 2.95Å; A375-L378 PolarHBondContact O-N 3.45Å; L378-A381 PolarHBondContact O-N 2.85Å; L378-K382 WeakPolarHBondContact O-CB 3.28Å; L378-K382 PolarHBondContact O-N 2.94Å |
| 379 | V | 80.1 | Confident | 73.5 | Confident | 99 Ų | 99 | 109.3 Ų | 109.3 | 60% | 0.6 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65 | -45.3 | 174.2 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | A375 A376 A381 K382 M383 | A375-V379 WeakPolarHBondContact O-CG2 3.39Å; A375-V379 PolarHBondContact O-N 3.01Å; A376-V379 PolarHBondContact O-N 2.85Å; V379-A381 VanDerWaalsContact C-N 3.35Å; V379-A381 PolarHBondContact O-N 3.42Å; V379-K382 PolarHBondContact O-N 3.43Å; V379-M383 WeakPolarHBondContact O-CB 3.43Å; V379-M383 PolarHBondContact O-N 2.86Å |
| 380 | H | 76.8 | Confident | 75.5 | Confident | 125 Ų | 125 | 106 Ų | 106 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.2 | -39.1 | 174.9 | -97 | -68.2 | 0 | 0 | 0 | 112.6 | A376 D377 K384 | A376-H380 WeakPolarHBondContact O-CB 3.37Å; A376-H380 PolarHBondContact O-N 2.87Å; D377-H380 PolarHBondContact O-N 3.2Å; H380-K384 VanDerWaalsContact O-CB 3.26Å; H380-K384 WeakPolarHBondContact O-CB 3.45Å; H380-K384 PolarHBondContact O-N 3.3Å |
| 381 | A | 84.1 | Confident | 77.4 | Confident | 54 Ų | 54 | 104.7 Ų | 104.7 | 45% | 0.446 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.3 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D377 L378 V379 K384 E385 | D377-A381 VanDerWaalsContact O-CB 3.23Å; D377-A381 WeakPolarHBondContact O-CB 3.49Å; D377-A381 PolarHBondContact O-N 3.31Å; L378-A381 PolarHBondContact O-N 2.85Å; V379-A381 VanDerWaalsContact C-N 3.35Å; V379-A381 PolarHBondContact O-N 3.42Å; A381-K384 PolarHBondContact O-N 3.42Å; A381-E385 PolarHBondContact O-N 3.05Å |
| 382 | K | 84.7 | Confident | 79.2 | Confident | 170 Ų | 170 | 102.8 Ų | 102.8 | 74% | 0.739 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 178.5 | -156.6 | 179.9 | -173 | -176 | 0 | 112.1 | L378 V379 K384 E385 H386 | L378-K382 WeakPolarHBondContact O-CB 3.28Å; L378-K382 PolarHBondContact O-N 2.94Å; V379-K382 PolarHBondContact O-N 3.43Å; K382-K384 VanDerWaalsContact C-N 3.34Å; K382-E385 PolarHBondContact O-N 3.37Å; K382-H386 PolarHBondContact O-N 2.93Å |
| 383 | M | 80 | Confident | 80.7 | Confident | 125 Ų | 125 | 103.7 Ų | 103.7 | 62% | 0.616 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.7 | -33.5 | 174.6 | -159 | 168.4 | 91.7 | 0 | 0 | 112 | V379 H386 A387 | V379-M383 WeakPolarHBondContact O-CB 3.43Å; V379-M383 PolarHBondContact O-N 2.86Å; M383-H386 PolarHBondContact O-N 2.86Å; M383-A387 WeakPolarHBondContact O-CB 3.5Å; M383-A387 PolarHBondContact O-N 2.89Å |
| 384 | K | 86.1 | Confident | 82.3 | Confident | 143 Ų | 143 | 105.9 Ų | 105.9 | 62% | 0.622 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.8 | -38.6 | 173.5 | -171.9 | 176.9 | -178.8 | -179.3 | 0 | 112.4 | H380 A381 K382 K388 | H380-K384 VanDerWaalsContact O-CB 3.26Å; H380-K384 WeakPolarHBondContact O-CB 3.45Å; H380-K384 PolarHBondContact O-N 3.3Å; A381-K384 PolarHBondContact O-N 3.42Å; K382-K384 VanDerWaalsContact C-N 3.34Å; K384-K388 WeakPolarHBondContact O-CB 3.43Å; K384-K388 PolarHBondContact O-N 3.1Å; K384-K388 VanDerWaalsContact O-N 3.07Å |
| 385 | E | 80.9 | Confident | 83 | Confident | 128 Ų | 128 | 106.3 Ų | 106.3 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.8 | -50.9 | 170.4 | -78.8 | -117.3 | 112.9 | 0 | 0 | 111.2 | A381 K382 A387 K388 D389 | A381-E385 PolarHBondContact O-N 3.05Å; K382-E385 PolarHBondContact O-N 3.37Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 3.48Å; E385-K388 WeakPolarHBondContact O-CA 3.4Å; E385-K388 VanDerWaalsContact O-CB 3.28Å; E385-K388 WeakPolarHBondContact O-CB 3.41Å; E385-K388 PolarHBondContact O-N 2.79Å; E385-D389 PolarHBondContact O-N 3.45Å |
| 386 | H | 84.8 | Confident | 83.7 | Confident | 133 Ų | 133 | 111.5 Ų | 111.5 | 62% | 0.616 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.6 | -41.8 | 179.4 | -171.3 | -98.1 | 0 | 0 | 0 | 112.5 | K382 M383 K388 D389 N390 | K382-H386 PolarHBondContact O-N 2.93Å; M383-H386 PolarHBondContact O-N 2.86Å; H386-K388 VanDerWaalsContact C-N 3.3Å; H386-K388 PolarHBondContact O-N 2.95Å; H386-D389 PolarHBondContact O-N 2.86Å; H386-N390 WeakPolarHBondContact O-CB 3.38Å; H386-N390 PolarHBondContact O-N 3.36Å |
| 387 | A | 86.6 | Confident | 84.3 | Confident | 46 Ų | 46 | 111.2 Ų | 111.2 | 38% | 0.38 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.2 | -35 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M383 E385 M391 | M383-A387 WeakPolarHBondContact O-CB 3.5Å; M383-A387 PolarHBondContact O-N 2.89Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 3.48Å; A387-M391 PolarHBondContact O-N 2.92Å; A387-M391 VanDerWaalsContact O-N 3.07Å |
| 388 | K | 87.5 | Confident | 84.5 | Confident | 120 Ų | 120 | 111.4 Ų | 111.4 | 52% | 0.522 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -39.9 | 177.8 | -152.9 | 175.7 | -170.3 | -179.2 | 0 | 111.6 | K384 E385 H386 K392 | K384-K388 WeakPolarHBondContact O-CB 3.43Å; K384-K388 PolarHBondContact O-N 3.1Å; K384-K388 VanDerWaalsContact O-N 3.07Å; E385-K388 WeakPolarHBondContact O-CA 3.4Å; E385-K388 VanDerWaalsContact O-CB 3.28Å; E385-K388 WeakPolarHBondContact O-CB 3.41Å; E385-K388 PolarHBondContact O-N 2.79Å; H386-K388 VanDerWaalsContact C-N 3.3Å; H386-K388 PolarHBondContact O-N 2.95Å; K388-K392 WeakPolarHBondContact O-CG 3.45Å; K388-K392 PolarHBondContact O-N 3.36Å |
| 389 | D | 87.1 | Confident | 84.6 | Confident | 64 Ų | 64 | 108.4 Ų | 108.4 | 34% | 0.342 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73 | -39.2 | 175.9 | -72.9 | -21.8 | 0 | 0 | 0 | 112.3 | E385 H386 M391 K392 H393 | E385-D389 PolarHBondContact O-N 3.45Å; H386-D389 PolarHBondContact O-N 2.86Å; D389-M391 VanDerWaalsContact C-N 3.28Å; D389-M391 PolarHBondContact O-N 3.2Å; D389-K392 WeakPolarHBondContact O-CB 3.44Å; D389-K392 PolarHBondContact O-N 2.89Å; D389-K392 WeakPolarHBondContact OD1-CD 3.38Å; D389-K392 WeakPolarHBondContact OD1-CE 3.36Å; D389-K392 IonicContact OD1-NZ 2.62Å; D389-K392 PolarHBondContact OD1-NZ 3.36Å; D389-H393 PolarHBondContact O-CD2 3.12Å; D389-H393 VanDerWaalsContact O-CD2 3.28Å; D389-H393 PolarHBondContact O-N 3.34Å |
| 390 | N | 84.7 | Confident | 84.6 | Confident | 102 Ų | 102 | 109.6 Ų | 109.6 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 175.2 | -150.4 | 11.7 | 0 | 0 | 0 | 111.6 | H386 H393 L394 | H386-N390 WeakPolarHBondContact O-CB 3.38Å; H386-N390 PolarHBondContact O-N 3.36Å; N390-H393 PolarHBondContact O-N 3.39Å; N390-L394 WeakPolarHBondContact O-CB 3.39Å; N390-L394 PolarHBondContact O-N 2.9Å |
| 391 | M | 86.9 | Confident | 84.4 | Confident | 111 Ų | 111 | 107.8 Ų | 107.8 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 169.5 | -80.3 | -171.6 | -77.5 | 0 | 0 | 113.4 | A387 D389 H393 L394 F395 | A387-M391 PolarHBondContact O-N 2.92Å; A387-M391 VanDerWaalsContact O-N 3.07Å; D389-M391 VanDerWaalsContact C-N 3.28Å; D389-M391 PolarHBondContact O-N 3.2Å; M391-H393 VanDerWaalsContact C-N 3.32Å; M391-H393 PolarHBondContact O-N 2.82Å; M391-L394 PolarHBondContact O-N 2.9Å; M391-F395 WeakPolarHBondContact O-CD2 3.32Å; M391-F395 PolarHBondContact O-N 2.95Å |
| 392 | K | 89.4 | Confident | 83.6 | Confident | 119 Ų | 119 | 111.3 Ų | 111.3 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 174.1 | -66.5 | 169.3 | -162.9 | 164.1 | 0 | 111.5 | K388 D389 R396 | K388-K392 WeakPolarHBondContact O-CG 3.45Å; K388-K392 PolarHBondContact O-N 3.36Å; D389-K392 WeakPolarHBondContact O-CB 3.44Å; D389-K392 PolarHBondContact O-N 2.89Å; D389-K392 WeakPolarHBondContact OD1-CD 3.38Å; D389-K392 WeakPolarHBondContact OD1-CE 3.36Å; D389-K392 IonicContact OD1-NZ 2.62Å; D389-K392 PolarHBondContact OD1-NZ 3.36Å; K392-R396 WeakPolarHBondContact O-CB 3.31Å; K392-R396 PolarHBondContact O-N 3.49Å |
| 393 | H | 86.3 | Confident | 82.5 | Confident | 125 Ų | 125 | 109.1 Ų | 109.1 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 175.1 | -82.2 | -76.6 | 0 | 0 | 0 | 111.7 | D389 N390 M391 R396 A397 | D389-H393 PolarHBondContact O-CD2 3.12Å; D389-H393 VanDerWaalsContact O-CD2 3.28Å; D389-H393 PolarHBondContact O-N 3.34Å; N390-H393 PolarHBondContact O-N 3.39Å; M391-H393 VanDerWaalsContact C-N 3.32Å; M391-H393 PolarHBondContact O-N 2.82Å; H393-R396 PolarHBondContact O-N 2.88Å; H393-A397 WeakPolarHBondContact O-CB 3.49Å; H393-A397 PolarHBondContact O-N 3.28Å |
| 394 | L | 88.8 | Confident | 81.4 | Confident | 108 Ų | 108 | 108.2 Ų | 108.2 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -45.6 | 175.5 | -171.2 | 69.3 | 0 | 0 | 0 | 112 | N390 M391 R396 A397 M398 | N390-L394 WeakPolarHBondContact O-CB 3.39Å; N390-L394 PolarHBondContact O-N 2.9Å; M391-L394 PolarHBondContact O-N 2.9Å; L394-R396 PolarHBondContact O-N 2.92Å; L394-A397 PolarHBondContact O-N 3.49Å; L394-M398 HydrophobicContact CG-SD 4.46Å; L394-M398 WeakPolarHBondContact O-CB 3.37Å; L394-M398 WeakPolarHBondContact O-CG 3.42Å; L394-M398 PolarHBondContact O-N 2.95Å |
| 395 | F | 85.6 | Confident | 79.5 | Confident | 134 Ų | 134 | 109 Ų | 109 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.1 | -43.2 | 174.9 | -95.5 | -77.5 | 0 | 0 | 0 | 112.2 | M391 A397 M398 D399 | M391-F395 WeakPolarHBondContact O-CD2 3.32Å; M391-F395 PolarHBondContact O-N 2.95Å; F395-A397 PolarHBondContact O-N 2.87Å; F395-M398 PolarHBondContact O-N 3.47Å; F395-D399 PolarHBondContact O-N 3.37Å |
| 396 | R | 88.1 | Confident | 77.8 | Confident | 168 Ų | 168 | 107.8 Ų | 107.8 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 176.8 | -171.1 | -179.7 | -61.1 | -136.6 | -0 | 112.2 | K392 H393 L394 D399 Q400 | K392-R396 WeakPolarHBondContact O-CB 3.31Å; K392-R396 PolarHBondContact O-N 3.49Å; H393-R396 PolarHBondContact O-N 2.88Å; L394-R396 PolarHBondContact O-N 2.92Å; R396-D399 PolarHBondContact O-N 3.42Å; R396-Q400 VanDerWaalsContact O-CG 3.32Å; R396-Q400 WeakPolarHBondContact O-CG 3.44Å; R396-Q400 PolarHBondContact O-N 2.86Å |
| 397 | A | 84.8 | Confident | 75.6 | Confident | 42 Ų | 42 | 109 Ų | 109 | 35% | 0.347 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H393 L394 F395 D399 Q400 V401 | H393-A397 WeakPolarHBondContact O-CB 3.49Å; H393-A397 PolarHBondContact O-N 3.28Å; L394-A397 PolarHBondContact O-N 3.49Å; F395-A397 PolarHBondContact O-N 2.87Å; A397-D399 VanDerWaalsContact C-N 3.34Å; A397-D399 PolarHBondContact O-N 3.32Å; A397-Q400 PolarHBondContact O-N 3.47Å; A397-V401 WeakPolarHBondContact O-CG2 3.37Å; A397-V401 PolarHBondContact O-N 2.67Å |
| 398 | M | 80.7 | Confident | 73.1 | Confident | 99 Ų | 99 | 111.6 Ų | 111.6 | 49% | 0.488 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -38 | 174.6 | -76.1 | -176.6 | 66.4 | 0 | 0 | 112.6 | L394 F395 R402 | L394-M398 HydrophobicContact CG-SD 4.46Å; L394-M398 WeakPolarHBondContact O-CB 3.37Å; L394-M398 WeakPolarHBondContact O-CG 3.42Å; L394-M398 PolarHBondContact O-N 2.95Å; F395-M398 PolarHBondContact O-N 3.47Å; M398-R402 WeakPolarHBondContact O-CB 3.32Å; M398-R402 PolarHBondContact O-N 2.95Å |
| 399 | D | 83.2 | Confident | 70.5 | Confident | 62 Ų | 62 | 114 Ų | 114 | 33% | 0.332 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.6 | -42.6 | 174.4 | -76 | -12.1 | 0 | 0 | 0 | 111 | F395 R396 A397 V401 R402 H403 | F395-D399 PolarHBondContact O-N 3.37Å; R396-D399 PolarHBondContact O-N 3.42Å; A397-D399 VanDerWaalsContact C-N 3.34Å; A397-D399 PolarHBondContact O-N 3.32Å; D399-V401 PolarHBondContact O-N 3.09Å; D399-R402 PolarHBondContact O-N 3.08Å; D399-R402 VanDerWaalsContact O-N 3.09Å; D399-R402 IonicContact OD1-CZ 3.08Å; D399-R402 IonicContact OD1-NH1 2.66Å; D399-R402 PolarHBondContact OD1-NH1 2.96Å; D399-R402 IonicContact OD1-NH2 3.26Å; D399-R402 PolarHBondContact OD1-NH2 2.94Å; D399-H403 PolarHBondContact O-N 3.48Å; D399-H403 PolarHBondContact O-ND1 2.71Å |
| 400 | Q | 80 | Confident | 68.2 | Low | 124 Ų | 124 | 118.8 Ų | 118.8 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -55.8 | -47 | 173 | -76.4 | 171.9 | -15.9 | 0 | 0 | 112 | R396 A397 R402 H403 T404 | R396-Q400 VanDerWaalsContact O-CG 3.32Å; R396-Q400 WeakPolarHBondContact O-CG 3.44Å; R396-Q400 PolarHBondContact O-N 2.86Å; A397-Q400 PolarHBondContact O-N 3.47Å; Q400-R402 VanDerWaalsContact C-N 3.32Å; Q400-R402 PolarHBondContact O-N 3.19Å; Q400-H403 PolarHBondContact O-N 2.95Å; Q400-T404 PolarHBondContact O-N 3.29Å; Q400-T404 VanDerWaalsContact O-N 3.08Å; Q400-T404 PolarHBondContact O-OG1 3.44Å |
| 401 | V | 72.3 | Confident | 65.9 | Low | 87 Ų | 87 | 119 Ų | 119 | 53% | 0.527 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.9 | -33.8 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 112.3 | A397 D399 H403 T404 H405 | A397-V401 WeakPolarHBondContact O-CG2 3.37Å; A397-V401 PolarHBondContact O-N 2.67Å; D399-V401 PolarHBondContact O-N 3.09Å; V401-H403 VanDerWaalsContact C-N 3.33Å; V401-T404 PolarHBondContact O-OG1 3.41Å; V401-T404 VanDerWaalsContact O-OG1 3.05Å; V401-H405 PolarHBondContact O-N 3.48Å |
| 402 | R | 67.8 | Low | 63.5 | Low | 128 Ų | 128 | 119.9 Ų | 119.9 | 48% | 0.483 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.8 | -32.3 | 175.2 | -154.9 | -179 | -52.4 | 113.9 | 18.7 | 112.1 | M398 D399 Q400 T406 | M398-R402 WeakPolarHBondContact O-CB 3.32Å; M398-R402 PolarHBondContact O-N 2.95Å; D399-R402 PolarHBondContact O-N 3.08Å; D399-R402 VanDerWaalsContact O-N 3.09Å; D399-R402 IonicContact OD1-CZ 3.08Å; D399-R402 IonicContact OD1-NH1 2.66Å; D399-R402 PolarHBondContact OD1-NH1 2.96Å; D399-R402 IonicContact OD1-NH2 3.26Å; D399-R402 PolarHBondContact OD1-NH2 2.94Å; Q400-R402 VanDerWaalsContact C-N 3.32Å; Q400-R402 PolarHBondContact O-N 3.19Å; R402-T406 WeakPolarHBondContact O-CG2 3.1Å; R402-T406 PolarHBondContact O-OG1 2.9Å |
| 403 | H | 61.7 | Low | 61.1 | Low | 124 Ų | 124 | 121.1 Ų | 121.1 | 57% | 0.574 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81.2 | -24 | 179 | -69 | 56.6 | 0 | 0 | 0 | 112.8 | D399 Q400 V401 T406 | D399-H403 PolarHBondContact O-N 3.48Å; D399-H403 PolarHBondContact O-ND1 2.71Å; Q400-H403 PolarHBondContact O-N 2.95Å; V401-H403 VanDerWaalsContact C-N 3.33Å; H403-T406 PolarHBondContact O-OG1 3.45Å |
| 404 | T | 55.3 | Low | 58.3 | Low | 105 Ų | 105 | 121.5 Ų | 121.5 | 64% | 0.644 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.2 | -21.8 | 172.6 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | Q400 V401 | Q400-T404 PolarHBondContact O-N 3.29Å; Q400-T404 VanDerWaalsContact O-N 3.08Å; Q400-T404 PolarHBondContact O-OG1 3.44Å; V401-T404 PolarHBondContact O-OG1 3.41Å; V401-T404 VanDerWaalsContact O-OG1 3.05Å |
| 405 | H | 48.1 | Very low | 55.9 | Low | 159 Ų | 159 | 121.8 Ų | 121.8 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -90.2 | -2 | 177.7 | -94.3 | -78.6 | 0 | 0 | 0 | 115.4 | V401 | V401-H405 PolarHBondContact O-N 3.48Š|
| 406 | T | 44.1 | Very low | 53.2 | Low | 104 Ų | 104 | 121.8 Ų | 121.8 | 64% | 0.638 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -108 | 17.1 | -176.6 | 53 | 0 | 0 | 0 | 0 | 114.8 | R402 H403 | R402-T406 WeakPolarHBondContact O-CG2 3.1Å; R402-T406 PolarHBondContact O-OG1 2.9Å; H403-T406 PolarHBondContact O-OG1 3.45Å |
| 407 | L | 38.3 | Very low | 50.8 | Low | 157 Ų | 157 | 118.6 Ų | 118.6 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -124 | 53 | 176.1 | -86.2 | 122 | 0 | 0 | 0 | 112.3 | ||
| 408 | S | 34.4 | Very low | 48.1 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | trans | -163.6 | 89.7 | 165.2 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 409 | N | 33.8 | Very low | 45.9 | Very low | 170 Ų | 170 | 123.8 Ų | 123.8 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | trans | 175.5 | 79.4 | 160.9 | -90.7 | -31.9 | 0 | 0 | 0 | 109.3 | ||||
| 410 | D | 37.9 | Very low | 43.3 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -146.8 | 124.4 | 164.2 | -143.7 | 0.2 | 0 | 0 | 0 | 108.9 | ||||
| 411 | P | 37.1 | Very low | 41.3 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | trans | -92.9 | 135.8 | -168.9 | 33.8 | -32.9 | 0 | 0 | 0 | 113.6 | ||||
| 412 | T | 35 | Very low | 39.3 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | 57.5 | 104.9 | 155.4 | 43.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 413 | T | 38.9 | Very low | 38 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | -163 | 124.8 | 116.5 | 9.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 414 | T | 29.1 | Very low | 36.6 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | -75.5 | 144.5 | 167 | 38.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 415 | P | 38.7 | Very low | 35.8 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | -144.6 | 138.2 | 85.4 | 35.9 | -18.4 | 0 | 0 | 0 | 116.6 | |||||
| 416 | T | 28.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | 30.4 | 100.8 | 127.7 | -42 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 417 | A | 36.3 | Very low | 34.9 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -155.4 | 106.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 418 | T | 28.8 | Very low | 34.9 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -61.3 | 134.3 | 166.9 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 419 | T | 33.5 | Very low | 34.9 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -170.1 | 119.3 | 135.8 | -76.6 | 0 | 0 | 0 | 0 | 111.5 | I421 | T419-I421 HydrophobicContact CG2-CG1 4.13Š| ||
| 420 | T | 29.7 | Very low | 34.8 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -71.8 | 123.7 | 169.4 | -51.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 421 | I | 38.3 | Very low | 34.8 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 67% | 0.672 | 75% | 0.754 | S | S | * | * | trans | -144.6 | 119.1 | 152.8 | -51.9 | -179 | 0 | 0 | 0 | 109.9 | T419 F423 | T419-I421 HydrophobicContact CG2-CG1 4.13Å; I421-F423 HydrophobicContact CG2-CD2 4.13Å; I421-F423 HydrophobicContact CG2-CE2 3.74Å; I421-F423 HydrophobicContact CG2-CZ 4.49Å | ||
| 422 | N | 30.7 | Very low | 34.6 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | trans | -74.9 | 147.7 | 167 | -73.7 | -13.1 | 0 | 0 | 0 | 110.6 | ||||
| 423 | F | 39.4 | Very low | 34.5 | Very low | 198 Ų | 198 | 133.8 Ų | 133.8 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | trans | -137.4 | 116 | 141.9 | -83 | -71.3 | 0 | 0 | 0 | 110.7 | I421 | I421-F423 HydrophobicContact CG2-CD2 4.13Å; I421-F423 HydrophobicContact CG2-CE2 3.74Å; I421-F423 HydrophobicContact CG2-CZ 4.49Å | ||
| 424 | N | 33.1 | Very low | 34.1 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | -75.7 | 158.4 | 163.9 | -61.9 | -18 | 0 | 0 | 0 | 109.5 | ||||
| 425 | N | 38.8 | Very low | 34.2 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -168.5 | 112.3 | 137.5 | -83.4 | -23.4 | 0 | 0 | 0 | 104 | ||||
| 426 | D | 37.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | 70.4 | 128.1 | 81.2 | -62 | 6.8 | 0 | 0 | 0 | 110.4 | |||||
| 427 | D | 35.3 | Very low | 34.2 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | cis | -166.4 | -178.3 | -6.4 | -140 | -25.8 | 0 | 0 | 0 | 110 | ||||
| 428 | N | 38.6 | Very low | 34.2 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 90.4 | 93 | 176.6 | -52.8 | -61.6 | 0 | 0 | 0 | 115.6 | ||||
| 429 | S | 34 | Very low | 34.3 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | 64.4 | 89 | 72.4 | -165.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 430 | S | 32.4 | Very low | 34.5 | Very low | 85 Ų | 85 | 137.1 Ų | 137.1 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | 83.2 | 126.4 | 74 | 84 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 431 | H | 37.3 | Very low | 35 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | -174.5 | 147.5 | 119.4 | -96 | 31 | 0 | 0 | 0 | 110.6 | |||||
| 432 | N | 32.7 | Very low | 34.7 | Very low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | -95.5 | 163.2 | -162.4 | -55.9 | -54.4 | 0 | 0 | 0 | 113.2 | ||||
| 433 | I | 33.1 | Very low | 35.2 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | 179.7 | 143.8 | 105.7 | -89 | 159.8 | 0 | 0 | 0 | 111.1 | |||||
| 434 | T | 29.9 | Very low | 35.1 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -102.7 | 144.4 | -168.1 | -43.7 | 0 | 0 | 0 | 0 | 113.2 | I436 | T434-I436 HydrophobicContact CG2-CG1 4.22Š| ||
| 435 | L | 32.8 | Very low | 35.2 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -150 | 92.4 | 155.5 | -93.7 | 167.3 | 0 | 0 | 0 | 106.3 | ||||
| 436 | I | 32.4 | Very low | 35 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | 60.6 | 98 | 84 | -53.9 | 174.4 | 0 | 0 | 0 | 113.3 | T434 | T434-I436 HydrophobicContact CG2-CG1 4.22Š| |||
| 437 | E | 34.7 | Very low | 34.8 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -148.5 | 115.1 | 146.9 | -163.7 | 161.7 | -153.6 | 0 | 0 | 111.4 | ||||
| 438 | S | 35.8 | Very low | 34.7 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 41.7 | 113.8 | 143 | -47.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 439 | G | 31.5 | Very low | 34.6 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | 93.1 | 93 | 119.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 440 | L | 37.4 | Very low | 34.8 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -145.1 | 111.3 | 152.8 | -75.8 | 176.5 | 0 | 0 | 0 | 107.3 | ||||
| 441 | E | 39.4 | Very low | 34.8 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | 75.2 | 93.5 | 83.2 | -69.4 | -71.9 | 153.6 | 0 | 0 | 112.4 | T443 | E441-T443 PolarHBondContact O-N 3.36Š| |||
| 442 | D | 33.1 | Very low | 34.9 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -74.7 | 113.7 | -178.4 | -79.5 | -46.9 | 0 | 0 | 0 | 112.8 | ||||
| 443 | T | 39.9 | Very low | 35.2 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -93.1 | 106.3 | 166.7 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | E441 S445 | E441-T443 PolarHBondContact O-N 3.36Å; T443-S445 PolarHBondContact O-N 2.89Å | ||
| 444 | V | 36.8 | Very low | 35.3 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | -74.1 | 97.9 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 445 | S | 36.7 | Very low | 35.7 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -78.1 | 119 | 168.6 | -73.3 | 0 | 0 | 0 | 0 | 110.9 | T443 S447 | T443-S445 PolarHBondContact O-N 2.89Å; S445-S447 PolarHBondContact O-N 2.69Å | ||
| 446 | S | 33.8 | Very low | 35.8 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -73.8 | 111.7 | 174.9 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 447 | S | 32.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -145.4 | 129.2 | 163.5 | 65.9 | 0 | 0 | 0 | 0 | 111 | S445 | S445-S447 PolarHBondContact O-N 2.69Š| ||
| 448 | G | 33.7 | Very low | 36.2 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 157.4 | 77.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 449 | F | 36.7 | Very low | 36.6 | Very low | 219 Ų | 219 | 128.9 Ų | 128.9 | 96% | 0.961 | 80% | 0.796 | S | S | * | * | trans | -131.4 | 130.6 | 153.3 | -100.7 | -81 | 0 | 0 | 0 | 109.5 | ||||
| 450 | V | 37.4 | Very low | 36.9 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -100.6 | 149.9 | -172.6 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 451 | S | 33.8 | Very low | 36.7 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -59.5 | 148.8 | -174.2 | -168.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 452 | G | 38.6 | Very low | 36.5 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -149.7 | 99.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 453 | S | 39 | Very low | 36.2 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -64.7 | 163.2 | 165.4 | 6.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 454 | E | 35.6 | Very low | 35.9 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | cis | -168.8 | -168.6 | 16.7 | -124.8 | -172.5 | 175.4 | 0 | 0 | 106.6 | ||||
| 455 | P | 38.9 | Very low | 35.6 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | cis | -132.5 | 171.2 | -34.3 | 36.3 | -18.9 | 0 | 0 | 0 | 114.7 | ||||
| 456 | S | 33.6 | Very low | 35.6 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | 43.7 | 118.7 | 145.5 | -148.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 457 | D | 40.1 | Very low | 35.5 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | -166 | 147.2 | 94.2 | -94.2 | -12.2 | 0 | 0 | 0 | 113.7 | |||||
| 458 | N | 35.6 | Very low | 35.6 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -131.7 | -177.6 | -175 | -150 | 11 | 0 | 0 | 0 | 105.8 | ||||
| 459 | P | 44.3 | Very low | 35.5 | Very low | 91 Ų | 91 | 149.5 Ų | 149.5 | 59% | 0.591 | 79% | 0.787 | S | S | * | * | cis | -137.2 | 174.6 | -6.7 | 42.7 | -26.1 | 0 | 0 | 0 | 115.6 | ||||
| 460 | H | 37.6 | Very low | 35.5 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | -166 | 118.3 | 121.6 | -108.7 | -68.5 | 0 | 0 | 0 | 112.9 | |||||
| 461 | K | 33.2 | Very low | 35.5 | Very low | 198 Ų | 198 | 143 Ų | 143 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -92.9 | 142.8 | 159.8 | -71.1 | 175.9 | 176.8 | 174.3 | 0 | 108.6 | ||||
| 462 | Q | 36.7 | Very low | 35.6 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -142.2 | 130.7 | 144.4 | -112.2 | -177.2 | 14.6 | 0 | 0 | 111.3 | ||||
| 463 | R | 26.8 | Very low | 35.6 | Very low | 218 Ų | 218 | 146.4 Ų | 146.4 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | trans | -107.2 | 128.4 | -179.2 | 169.6 | -171.7 | -173.6 | 175.3 | 3.9 | 106.5 | V465 | R463-V465 HydrophobicContact CG-CG2 4.43Š| ||
| 464 | F | 32 | Very low | 35.4 | Very low | 189 Ų | 189 | 145 Ų | 145 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -125.4 | 124 | 163.6 | -107.2 | -84.2 | 0 | 0 | 0 | 110.7 | ||||
| 465 | V | 31 | Very low | 35.4 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | trans | -111.7 | 129.6 | 170.1 | 173.6 | 0 | 0 | 0 | 0 | 105.5 | R463 | R463-V465 HydrophobicContact CG-CG2 4.43Š| ||
| 466 | K | 36.1 | Very low | 35.4 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -149.6 | 140.6 | 152 | -157.1 | 142.2 | -176.3 | -179.6 | 0 | 112.5 | ||||
| 467 | S | 32.5 | Very low | 35.4 | Very low | 95 Ų | 95 | 147.8 Ų | 147.8 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | -109.4 | 148.1 | -175.8 | 51.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 468 | E | 34.6 | Very low | 34.9 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -160.3 | 112.1 | 152.6 | -103.7 | 151 | -147.6 | 0 | 0 | 104.6 | ||||
| 469 | Q | 31 | Very low | 34.9 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | 74.1 | 105 | 55 | -162.9 | 178.3 | 53.7 | 0 | 0 | 113.3 | |||||
| 470 | T | 36.5 | Very low | 34.2 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | 151.4 | 145.9 | 140.8 | 43 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 471 | S | 37.5 | Very low | 34.3 | Very low | 92 Ų | 92 | 147.3 Ų | 147.3 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | cis | -167.6 | 166.1 | -15.8 | 48 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 472 | N | 37.3 | Very low | 34.3 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | 72.7 | 145.1 | 164.3 | -58.5 | -12 | 0 | 0 | 0 | 119.2 | ||||
| 473 | S | 37.4 | Very low | 34.2 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | cis | -177.3 | 144.7 | -23.9 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 474 | G | 35.6 | Very low | 35 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 100.3 | 84.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 475 | S | 35.8 | Very low | 35 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | 88.9 | 134.5 | 57.7 | -165.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 476 | P | 37.1 | Very low | 35.2 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -117.9 | 140 | -152.1 | 37.4 | -23.2 | 0 | 0 | 0 | 114.8 | ||||
| 477 | Y | 34.9 | Very low | 35.5 | Very low | 224 Ų | 224 | 136.8 Ų | 136.8 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | trans | -140.3 | 120.7 | 159.6 | -82.4 | -74.3 | 0 | 0 | 0 | 113.6 | ||||
| 478 | S | 29.3 | Very low | 36 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -6.8 | 116.9 | 153.5 | -171.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 479 | T | 35 | Very low | 36.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | -143.2 | 110.5 | 148.6 | -65.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 480 | R | 30.5 | Very low | 37.6 | Very low | 208 Ų | 208 | 131 Ų | 131 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 135.3 | 169.5 | -144.1 | 178.8 | -170.5 | -158 | 3 | 110.8 | F482 | R480-F482 PolarHBondContact O-N 3.49Š|
| 481 | P | 39.9 | Very low | 38.3 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 121.6 | 163.1 | -13 | 27.6 | 0 | 0 | 0 | 108 | I483 | P481-I483 PolarHBondContact O-N 3.02Š|
| 482 | F | 33.6 | Very low | 38.8 | Very low | 189 Ų | 189 | 132.4 Ų | 132.4 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 127.7 | 176.4 | -94.8 | -105.9 | 0 | 0 | 0 | 110.2 | R480 P484 | R480-F482 PolarHBondContact O-N 3.49Å; F482-P484 WeakPolarHBondContact O-CD 3.35Å |
| 483 | I | 34.6 | Very low | 39.7 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 121.7 | 159.7 | -61.4 | 170 | 0 | 0 | 0 | 106.1 | P481 D485 | P481-I483 PolarHBondContact O-N 3.02Å; I483-D485 VanDerWaalsContact C-N 3.32Å; I483-D485 PolarHBondContact O-N 2.97Å; I483-D485 VanDerWaalsContact O-N 3.12Å |
| 484 | P | 42.9 | Very low | 40.9 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 70% | 0.695 | S | S | * | * | trans | -79 | 89.8 | 164.3 | 9.9 | 7.4 | 0 | 0 | 0 | 107.2 | F482 | F482-P484 WeakPolarHBondContact O-CD 3.35Š| ||
| 485 | D | 32.9 | Very low | 42.4 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 65% | 0.647 | 67% | 0.674 | S | S | * | * | trans | -59.7 | 150.6 | 167.3 | -73.8 | -45.9 | 0 | 0 | 0 | 110 | I483 | I483-D485 VanDerWaalsContact C-N 3.32Å; I483-D485 PolarHBondContact O-N 2.97Å; I483-D485 VanDerWaalsContact O-N 3.12Å | ||
| 486 | F | 34.9 | Very low | 44.1 | Very low | 206 Ų | 206 | 123.6 Ų | 123.6 | 90% | 0.904 | 66% | 0.658 | S | S | * | * | trans | 68.4 | 58.8 | 177.9 | -58 | -84.6 | 0 | 0 | 0 | 117.8 | ||||
| 487 | V | 41.9 | Very low | 46 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | trans | -91.4 | 109.4 | 147.6 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | H491 | V487-H491 HydrophobicContact CG1-CB 4.09Š| ||
| 488 | S | 43.5 | Very low | 48.2 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 50% | 0.503 | 64% | 0.644 | S | S | . | * | trans | -58.7 | 150.1 | -175.4 | -46 | 0 | 0 | 0 | 0 | 112.8 | I490 H491 | S488-I490 PolarHBondContact O-N 3.27Å; S488-H491 PolarHBondContact O-N 3.49Å | ||
| 489 | P | 46 | Very low | 50.5 | Low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -54.3 | -16.3 | -178.6 | -28 | 35.4 | 0 | 0 | 0 | 115.9 | A493 | P489-A493 WeakPolarHBondContact O-CB 3.33Å; P489-A493 PolarHBondContact O-N 3.39Å |
| 490 | I | 52.8 | Low | 52.8 | Low | 132 Ų | 132 | 125.8 Ų | 125.8 | 68% | 0.677 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.5 | -38.2 | -178.7 | -55.5 | 172.6 | 0 | 0 | 0 | 111.9 | S488 H494 | S488-I490 PolarHBondContact O-N 3.27Å; I490-H494 WeakPolarHBondContact O-CB 3.32Å; I490-H494 PolarHBondContact O-N 2.96Å |
| 491 | H | 50.5 | Low | 55.2 | Low | 134 Ų | 134 | 124.5 Ų | 124.5 | 62% | 0.62 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.1 | -35.9 | -176.1 | -99.2 | -86.2 | 0 | 0 | 0 | 113.6 | V487 S488 H494 A495 | V487-H491 HydrophobicContact CG1-CB 4.09Å; S488-H491 PolarHBondContact O-N 3.49Å; H491-H494 PolarHBondContact O-N 3.44Å; H491-A495 PolarHBondContact O-N 3.11Å |
| 492 | L | 48.7 | Very low | 57.5 | Low | 118 Ų | 118 | 123.2 Ų | 123.2 | 62% | 0.618 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.4 | -39.6 | 174.3 | -170.3 | 62.1 | 0 | 0 | 0 | 111.2 | H494 A495 E496 | L492-H494 VanDerWaalsContact C-N 3.26Å; L492-H494 PolarHBondContact O-N 2.7Å; L492-A495 PolarHBondContact O-N 2.96Å; L492-A495 VanDerWaalsContact O-N 3.12Å; L492-E496 PolarHBondContact O-N 3.42Å |
| 493 | A | 55.8 | Low | 59.9 | Low | 43 Ų | 43 | 122.4 Ų | 122.4 | 36% | 0.355 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.6 | -33.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P489 R497 | P489-A493 WeakPolarHBondContact O-CB 3.33Å; P489-A493 PolarHBondContact O-N 3.39Å; A493-R497 VanDerWaalsContact O-CB 3.28Å; A493-R497 WeakPolarHBondContact O-CB 3.38Å; A493-R497 VanDerWaalsContact O-CG 3.28Å; A493-R497 WeakPolarHBondContact O-CG 3.47Å; A493-R497 PolarHBondContact O-N 3.02Å |
| 494 | H | 62.5 | Low | 62.4 | Low | 88 Ų | 88 | 120.8 Ų | 120.8 | 41% | 0.407 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.5 | -36.6 | 173.1 | -163.1 | -19.1 | 0 | 0 | 0 | 112 | I490 H491 L492 R498 | I490-H494 WeakPolarHBondContact O-CB 3.32Å; I490-H494 PolarHBondContact O-N 2.96Å; H491-H494 PolarHBondContact O-N 3.44Å; L492-H494 VanDerWaalsContact C-N 3.26Å; L492-H494 PolarHBondContact O-N 2.7Å; H494-R498 PolarHBondContact CE1-NE 3.39Å; H494-R498 PolarHBondContact ND1-NE 2.9Å; H494-R498 PolarHBondContact NE2-NH2 2.93Å; H494-R498 WeakPolarHBondContact O-CG 3.28Å; H494-R498 PolarHBondContact O-N 2.94Å |
| 495 | A | 67.6 | Low | 64.6 | Low | 41 Ų | 41 | 123 Ų | 123 | 34% | 0.339 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.7 | -48.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H491 L492 R497 R498 Y499 | H491-A495 PolarHBondContact O-N 3.11Å; L492-A495 PolarHBondContact O-N 2.96Å; L492-A495 VanDerWaalsContact O-N 3.12Å; A495-R497 VanDerWaalsContact C-N 3.34Å; A495-R497 PolarHBondContact O-N 3.07Å; A495-R498 PolarHBondContact O-N 3.43Å; A495-R498 VanDerWaalsContact O-N 3.11Å; A495-Y499 PolarHBondContact O-N 3.17Å |
| 496 | E | 72.3 | Confident | 67.3 | Low | 96 Ų | 96 | 122 Ų | 122 | 45% | 0.449 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.6 | -45.3 | 173.8 | -71.4 | -176.2 | 174.4 | 0 | 0 | 111.3 | L492 R498 Y499 I500 | L492-E496 PolarHBondContact O-N 3.42Å; E496-R498 VanDerWaalsContact C-N 3.34Å; E496-R498 PolarHBondContact O-N 3.07Å; E496-Y499 PolarHBondContact O-N 3.3Å; E496-I500 WeakPolarHBondContact O-CG1 3.45Å; E496-I500 PolarHBondContact O-N 3.03Å |
| 497 | R | 77.1 | Confident | 69.8 | Low | 185 Ų | 185 | 115.5 Ų | 115.5 | 70% | 0.698 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.4 | -36.2 | 174.9 | -79.7 | -179.8 | 175.6 | -172.7 | -0.5 | 113.2 | A493 A495 Y501 | A493-R497 VanDerWaalsContact O-CB 3.28Å; A493-R497 WeakPolarHBondContact O-CB 3.38Å; A493-R497 VanDerWaalsContact O-CG 3.28Å; A493-R497 WeakPolarHBondContact O-CG 3.47Å; A493-R497 PolarHBondContact O-N 3.02Å; A495-R497 VanDerWaalsContact C-N 3.34Å; A495-R497 PolarHBondContact O-N 3.07Å; R497-Y501 WeakPolarHBondContact O-CB 3.28Å; R497-Y501 PolarHBondContact O-N 3.33Å |
| 498 | R | 79.9 | Confident | 72 | Confident | 153 Ų | 153 | 115.3 Ų | 115.3 | 58% | 0.577 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -46 | 175.2 | -77.9 | 177.8 | -164.6 | -159.4 | 0.9 | 111.3 | H494 A495 E496 I500 Y501 I502 | H494-R498 PolarHBondContact CE1-NE 3.39Å; H494-R498 PolarHBondContact ND1-NE 2.9Å; H494-R498 PolarHBondContact NE2-NH2 2.93Å; H494-R498 WeakPolarHBondContact O-CG 3.28Å; H494-R498 PolarHBondContact O-N 2.94Å; A495-R498 PolarHBondContact O-N 3.43Å; A495-R498 VanDerWaalsContact O-N 3.11Å; E496-R498 VanDerWaalsContact C-N 3.34Å; E496-R498 PolarHBondContact O-N 3.07Å; R498-I500 PolarHBondContact O-N 2.95Å; R498-Y501 PolarHBondContact O-N 3.49Å; R498-I502 WeakPolarHBondContact O-CB 3.48Å; R498-I502 WeakPolarHBondContact O-CD1 3.32Å; R498-I502 VanDerWaalsContact O-CG1 3.25Å; R498-I502 WeakPolarHBondContact O-CG1 3.3Å; R498-I502 PolarHBondContact O-N 3.47Å |
| 499 | Y | 78 | Confident | 74.2 | Confident | 180 Ų | 180 | 116.2 Ų | 116.2 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.1 | -42.5 | 176.7 | -88.9 | -79.4 | 0 | 0 | 0 | 112.2 | A495 E496 I502 Y503 | A495-Y499 PolarHBondContact O-N 3.17Å; E496-Y499 PolarHBondContact O-N 3.3Å; Y499-I502 PolarHBondContact O-N 3.32Å; Y499-Y503 WeakPolarHBondContact O-CB 3.26Å; Y499-Y503 PolarHBondContact O-N 2.99Å |
| 500 | I | 83.3 | Confident | 76 | Confident | 96 Ų | 96 | 117.1 Ų | 117.1 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 175 | -67.8 | 165.3 | 0 | 0 | 0 | 111 | E496 R498 I502 Y503 I504 | E496-I500 WeakPolarHBondContact O-CG1 3.45Å; E496-I500 PolarHBondContact O-N 3.03Å; R498-I500 PolarHBondContact O-N 2.95Å; I500-I502 PolarHBondContact O-N 2.72Å; I500-Y503 PolarHBondContact O-N 3.32Å; I500-I504 HydrophobicContact CG2-CD1 3.62Å; I500-I504 HydrophobicContact CG2-CG1 4.34Å; I500-I504 WeakPolarHBondContact O-CB 3.4Å; I500-I504 VanDerWaalsContact O-CG1 3.28Å; I500-I504 WeakPolarHBondContact O-CG1 3.23Å; I500-I504 PolarHBondContact O-N 3.39Å |
| 501 | Y | 81.4 | Confident | 77.4 | Confident | 180 Ų | 180 | 116.6 Ų | 116.6 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -41.8 | 176.1 | -110.6 | -90 | 0 | 0 | 0 | 112.7 | R497 R498 Y505 | R497-Y501 WeakPolarHBondContact O-CB 3.28Å; R497-Y501 PolarHBondContact O-N 3.33Å; R498-Y501 PolarHBondContact O-N 3.49Å; Y501-Y505 WeakPolarHBondContact O-CB 3.41Å; Y501-Y505 PolarHBondContact O-N 3.35Å |
| 502 | I | 87.3 | Confident | 79 | Confident | 94 Ų | 94 | 116.5 Ų | 116.5 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 177.1 | -69.9 | 163.5 | 0 | 0 | 0 | 110.2 | R498 Y499 I500 Y505 I506 | R498-I502 WeakPolarHBondContact O-CB 3.48Å; R498-I502 WeakPolarHBondContact O-CD1 3.32Å; R498-I502 VanDerWaalsContact O-CG1 3.25Å; R498-I502 WeakPolarHBondContact O-CG1 3.3Å; R498-I502 PolarHBondContact O-N 3.47Å; Y499-I502 PolarHBondContact O-N 3.32Å; I500-I502 PolarHBondContact O-N 2.72Å; I502-Y505 PolarHBondContact O-N 3.5Å; I502-I506 HydrophobicContact CG2-CD1 3.7Å; I502-I506 HydrophobicContact CG2-CG1 4.42Å; I502-I506 WeakPolarHBondContact O-CB 3.28Å; I502-I506 VanDerWaalsContact O-CG1 3.28Å; I502-I506 WeakPolarHBondContact O-CG1 3.36Å; I502-I506 PolarHBondContact O-N 3.28Å |
| 503 | Y | 83.6 | Confident | 80.6 | Confident | 172 Ų | 172 | 114.2 Ų | 114.2 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.2 | -47.3 | 179.1 | -158.6 | -91.1 | 0 | 0 | 0 | 111.5 | Y499 I500 Y505 I506 T507 | Y499-Y503 WeakPolarHBondContact O-CB 3.26Å; Y499-Y503 PolarHBondContact O-N 2.99Å; I500-Y503 PolarHBondContact O-N 3.32Å; Y503-Y505 VanDerWaalsContact C-N 3.33Å; Y503-Y505 PolarHBondContact O-N 2.92Å; Y503-I506 PolarHBondContact O-N 2.9Å; Y503-T507 PolarHBondContact O-N 2.9Å; Y503-T507 PolarHBondContact O-OG1 3.29Å |
| 504 | I | 88.5 | Confident | 81.6 | Confident | 89 Ų | 89 | 114.4 Ų | 114.4 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 174.4 | -69 | 170.7 | 0 | 0 | 0 | 111 | I500 T507 L508 | I500-I504 HydrophobicContact CG2-CD1 3.62Å; I500-I504 HydrophobicContact CG2-CG1 4.34Å; I500-I504 WeakPolarHBondContact O-CB 3.4Å; I500-I504 VanDerWaalsContact O-CG1 3.28Å; I500-I504 WeakPolarHBondContact O-CG1 3.23Å; I500-I504 PolarHBondContact O-N 3.39Å; I504-T507 PolarHBondContact O-N 2.92Å; I504-L508 HydrophobicContact CG2-CD1 3.76Å; I504-L508 HydrophobicContact CG2-CG 4.28Å; I504-L508 VanDerWaalsContact O-CB 3.28Å; I504-L508 WeakPolarHBondContact O-CB 3.48Å; I504-L508 WeakPolarHBondContact O-CG 3.4Å; I504-L508 PolarHBondContact O-N 3Å |
| 505 | Y | 89 | Confident | 82.1 | Confident | 156 Ų | 156 | 112.5 Ų | 112.5 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 178 | -173.3 | -93.9 | 0 | 0 | 0 | 111.7 | Y501 I502 Y503 L508 L509 | Y501-Y505 WeakPolarHBondContact O-CB 3.41Å; Y501-Y505 PolarHBondContact O-N 3.35Å; I502-Y505 PolarHBondContact O-N 3.5Å; Y503-Y505 VanDerWaalsContact C-N 3.33Å; Y503-Y505 PolarHBondContact O-N 2.92Å; Y505-L508 PolarHBondContact O-N 3.36Å; Y505-L509 HydrophobicContact CE1-CD1 4.37Å; Y505-L509 VanDerWaalsContact O-CB 3.26Å; Y505-L509 WeakPolarHBondContact O-CB 3.41Å; Y505-L509 PolarHBondContact O-N 3.06Å |
| 506 | I | 89.1 | Confident | 82.2 | Confident | 99 Ų | 99 | 117.5 Ų | 117.5 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 175.8 | -68.9 | 167.8 | 0 | 0 | 0 | 110.6 | I502 Y503 L509 H510 | I502-I506 HydrophobicContact CG2-CD1 3.7Å; I502-I506 HydrophobicContact CG2-CG1 4.42Å; I502-I506 WeakPolarHBondContact O-CB 3.28Å; I502-I506 VanDerWaalsContact O-CG1 3.28Å; I502-I506 WeakPolarHBondContact O-CG1 3.36Å; I502-I506 PolarHBondContact O-N 3.28Å; Y503-I506 PolarHBondContact O-N 2.9Å; I506-L509 PolarHBondContact O-N 2.9Å; I506-H510 WeakPolarHBondContact O-CB 3.4Å; I506-H510 PolarHBondContact O-N 3.23Å |
| 507 | T | 87.2 | Confident | 81.4 | Confident | 69 Ų | 69 | 117.4 Ų | 117.4 | 42% | 0.423 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.8 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | Y503 I504 H510 M511 | Y503-T507 PolarHBondContact O-N 2.9Å; Y503-T507 PolarHBondContact O-OG1 3.29Å; I504-T507 PolarHBondContact O-N 2.92Å; T507-H510 PolarHBondContact O-N 3.42Å; T507-M511 WeakPolarHBondContact O-CB 3.41Å; T507-M511 WeakPolarHBondContact O-CG 3.47Å; T507-M511 PolarHBondContact O-N 2.91Å |
| 508 | L | 87.7 | Confident | 80.5 | Confident | 110 Ų | 110 | 112.9 Ų | 112.9 | 58% | 0.576 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.6 | -38.1 | 173.9 | -77.9 | 173 | 0 | 0 | 0 | 112.1 | I504 Y505 M511 K512 | I504-L508 HydrophobicContact CG2-CD1 3.76Å; I504-L508 HydrophobicContact CG2-CG 4.28Å; I504-L508 VanDerWaalsContact O-CB 3.28Å; I504-L508 WeakPolarHBondContact O-CB 3.48Å; I504-L508 WeakPolarHBondContact O-CG 3.4Å; I504-L508 PolarHBondContact O-N 3Å; Y505-L508 PolarHBondContact O-N 3.36Å; L508-M511 PolarHBondContact O-N 2.8Å; L508-K512 VanDerWaalsContact O-CB 3.24Å; L508-K512 WeakPolarHBondContact O-CB 3.47Å; L508-K512 PolarHBondContact O-N 2.85Å |
| 509 | L | 89.5 | Confident | 79.3 | Confident | 91 Ų | 91 | 112.7 Ų | 112.7 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 174.9 | -159.6 | 80.6 | 0 | 0 | 0 | 110.2 | Y505 I506 K512 V513 | Y505-L509 HydrophobicContact CE1-CD1 4.37Å; Y505-L509 VanDerWaalsContact O-CB 3.26Å; Y505-L509 WeakPolarHBondContact O-CB 3.41Å; Y505-L509 PolarHBondContact O-N 3.06Å; I506-L509 PolarHBondContact O-N 2.9Å; L509-K512 CarbonylContact O-C 3.51Å; L509-K512 PolarHBondContact O-N 3.44Å; L509-K512 VanDerWaalsContact O-N 3.12Å; L509-V513 WeakPolarHBondContact O-CB 3.4Å; L509-V513 VanDerWaalsContact O-CG2 3.31Å; L509-V513 WeakPolarHBondContact O-CG2 3.46Å; L509-V513 PolarHBondContact O-N 3.14Å |
| 510 | H | 85.2 | Confident | 78.2 | Confident | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.616 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 176.4 | -150.5 | -116.5 | 0 | 0 | 0 | 111.2 | I506 T507 K512 V513 S514 | I506-H510 WeakPolarHBondContact O-CB 3.4Å; I506-H510 PolarHBondContact O-N 3.23Å; T507-H510 PolarHBondContact O-N 3.42Å; H510-K512 VanDerWaalsContact C-N 3.32Å; H510-K512 PolarHBondContact O-N 3.4Å; H510-V513 PolarHBondContact O-N 3.27Å; H510-S514 WeakPolarHBondContact O-CB 3.36Å; H510-S514 PolarHBondContact O-N 3.02Å; H510-S514 PolarHBondContact O-OG 3.02Å; H510-S514 VanDerWaalsContact O-OG 3.11Å |
| 511 | M | 81.5 | Confident | 76.4 | Confident | 121 Ų | 121 | 106.3 Ų | 106.3 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -35.6 | 170.8 | -76.2 | -102.8 | 74 | 0 | 0 | 112.6 | T507 L508 S515 | T507-M511 WeakPolarHBondContact O-CB 3.41Å; T507-M511 WeakPolarHBondContact O-CG 3.47Å; T507-M511 PolarHBondContact O-N 2.91Å; L508-M511 PolarHBondContact O-N 2.8Å; M511-S515 WeakPolarHBondContact O-CB 3.36Å; M511-S515 PolarHBondContact O-N 3.29Å; M511-S515 PolarHBondContact O-OG 3.12Å |
| 512 | K | 84.1 | Confident | 74.8 | Confident | 132 Ų | 132 | 100.7 Ų | 100.7 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72.5 | -36.3 | 177.3 | -160.6 | 74.1 | 172.5 | -168.8 | 0 | 112 | L508 L509 H510 S515 K516 | L508-K512 VanDerWaalsContact O-CB 3.24Å; L508-K512 WeakPolarHBondContact O-CB 3.47Å; L508-K512 PolarHBondContact O-N 2.85Å; L509-K512 CarbonylContact O-C 3.51Å; L509-K512 PolarHBondContact O-N 3.44Å; L509-K512 VanDerWaalsContact O-N 3.12Å; H510-K512 VanDerWaalsContact C-N 3.32Å; H510-K512 PolarHBondContact O-N 3.4Å; K512-S515 WeakPolarHBondContact CA-OG 3.38Å; K512-S515 PolarHBondContact O-OG 3.02Å; K512-K516 VanDerWaalsContact O-CB 3.26Å; K512-K516 WeakPolarHBondContact O-CB 3.49Å; K512-K516 WeakPolarHBondContact O-CG 3.38Å; K512-K516 PolarHBondContact O-N 3.22Å |
| 513 | V | 82 | Confident | 73 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 42% | 0.424 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.7 | -52.6 | 173.5 | 171.1 | 0 | 0 | 0 | 0 | 109.4 | L509 H510 S515 K516 L517 | L509-V513 WeakPolarHBondContact O-CB 3.4Å; L509-V513 VanDerWaalsContact O-CG2 3.31Å; L509-V513 WeakPolarHBondContact O-CG2 3.46Å; L509-V513 PolarHBondContact O-N 3.14Å; H510-V513 PolarHBondContact O-N 3.27Å; V513-S515 VanDerWaalsContact C-N 3.33Å; V513-S515 PolarHBondContact O-N 2.93Å; V513-K516 CarbonylContact O-C 3.52Å; V513-K516 WeakPolarHBondContact O-CA 3.47Å; V513-K516 PolarHBondContact O-N 2.83Å; V513-L517 HydrophobicContact CG1-CD1 3.92Å; V513-L517 WeakPolarHBondContact O-CD1 3.36Å; V513-L517 PolarHBondContact O-N 3.05Å |
| 514 | S | 76.8 | Confident | 71 | Confident | 48 Ų | 48 | 97.3 Ų | 97.3 | 34% | 0.336 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | 177.1 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | H510 T518 | H510-S514 WeakPolarHBondContact O-CB 3.36Å; H510-S514 PolarHBondContact O-N 3.02Å; H510-S514 PolarHBondContact O-OG 3.02Å; H510-S514 VanDerWaalsContact O-OG 3.11Å; S514-T518 WeakPolarHBondContact O-CB 3.48Å; S514-T518 WeakPolarHBondContact O-CG2 2.98Å; S514-T518 PolarHBondContact O-N 2.75Å; S514-T518 PolarHBondContact O-OG1 3.36Å |
| 515 | S | 73.7 | Confident | 68.6 | Low | 48 Ų | 48 | 103.4 Ų | 103.4 | 34% | 0.336 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.6 | -21.4 | 173 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | M511 K512 V513 T518 K519 | M511-S515 WeakPolarHBondContact O-CB 3.36Å; M511-S515 PolarHBondContact O-N 3.29Å; M511-S515 PolarHBondContact O-OG 3.12Å; K512-S515 WeakPolarHBondContact CA-OG 3.38Å; K512-S515 PolarHBondContact O-OG 3.02Å; V513-S515 VanDerWaalsContact C-N 3.33Å; V513-S515 PolarHBondContact O-N 2.93Å; S515-T518 WeakPolarHBondContact CA-OG1 3.46Å; S515-K519 WeakPolarHBondContact O-CB 3.28Å; S515-K519 VanDerWaalsContact O-CG 3.22Å; S515-K519 WeakPolarHBondContact O-CG 3.39Å; S515-K519 PolarHBondContact O-N 3.34Å |
| 516 | K | 68.6 | Low | 66.2 | Low | 145 Ų | 145 | 106.2 Ų | 106.2 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -79.6 | -37.3 | 167.9 | -86.9 | -166.7 | 170.3 | -168.4 | 0 | 112.2 | K512 V513 S520 | K512-K516 VanDerWaalsContact O-CB 3.26Å; K512-K516 WeakPolarHBondContact O-CB 3.49Å; K512-K516 WeakPolarHBondContact O-CG 3.38Å; K512-K516 PolarHBondContact O-N 3.22Å; V513-K516 CarbonylContact O-C 3.52Å; V513-K516 WeakPolarHBondContact O-CA 3.47Å; V513-K516 PolarHBondContact O-N 2.83Å; K516-S520 WeakPolarHBondContact O-CB 3.43Å; K516-S520 PolarHBondContact O-N 3.1Å; K516-S520 PolarHBondContact O-OG 3.45Å |
| 517 | L | 56.9 | Low | 63.7 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 49% | 0.492 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.4 | -53.3 | 173.2 | -93.8 | 68.3 | 0 | 0 | 0 | 110.2 | V513 K519 S520 D521 | V513-L517 HydrophobicContact CG1-CD1 3.92Å; V513-L517 WeakPolarHBondContact O-CD1 3.36Å; V513-L517 PolarHBondContact O-N 3.05Å; L517-K519 PolarHBondContact O-N 3.1Å; L517-K519 VanDerWaalsContact O-N 3.1Å; L517-S520 WeakPolarHBondContact CA-OG 3.44Å; L517-S520 PolarHBondContact O-N 3.39Å; L517-S520 VanDerWaalsContact O-N 3.11Å; L517-S520 PolarHBondContact O-OG 3.42Å; L517-D521 VanDerWaalsContact O-CB 3.27Å; L517-D521 WeakPolarHBondContact O-CB 3.47Å; L517-D521 PolarHBondContact O-N 2.89Å |
| 518 | T | 57.3 | Low | 61.2 | Low | 91 Ų | 91 | 113.5 Ų | 113.5 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.1 | -24.1 | 176.9 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | S514 S515 A522 | S514-T518 WeakPolarHBondContact O-CB 3.48Å; S514-T518 WeakPolarHBondContact O-CG2 2.98Å; S514-T518 PolarHBondContact O-N 2.75Å; S514-T518 PolarHBondContact O-OG1 3.36Å; S515-T518 WeakPolarHBondContact CA-OG1 3.46Å; T518-A522 WeakPolarHBondContact O-CB 3.3Å; T518-A522 PolarHBondContact O-N 2.96Å |
| 519 | K | 55.8 | Low | 58.6 | Low | 149 Ų | 149 | 117.9 Ų | 117.9 | 65% | 0.648 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -87.6 | -32.1 | 170.6 | -72.6 | -178.9 | 177.2 | -176.7 | 0 | 114.3 | S515 L517 D521 V523 | S515-K519 WeakPolarHBondContact O-CB 3.28Å; S515-K519 VanDerWaalsContact O-CG 3.22Å; S515-K519 WeakPolarHBondContact O-CG 3.39Å; S515-K519 PolarHBondContact O-N 3.34Å; L517-K519 PolarHBondContact O-N 3.1Å; L517-K519 VanDerWaalsContact O-N 3.1Å; K519-D521 VanDerWaalsContact C-N 3.28Å; K519-V523 WeakPolarHBondContact O-CB 3.46Å; K519-V523 WeakPolarHBondContact O-CG2 3.42Å; K519-V523 PolarHBondContact O-N 3.42Å |
| 520 | S | 52.9 | Low | 55.9 | Low | 59 Ų | 59 | 117.3 Ų | 117.3 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.9 | -43.2 | 169.7 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | K516 L517 V523 N524 | K516-S520 WeakPolarHBondContact O-CB 3.43Å; K516-S520 PolarHBondContact O-N 3.1Å; K516-S520 PolarHBondContact O-OG 3.45Å; L517-S520 WeakPolarHBondContact CA-OG 3.44Å; L517-S520 PolarHBondContact O-N 3.39Å; L517-S520 VanDerWaalsContact O-N 3.11Å; L517-S520 PolarHBondContact O-OG 3.42Å; S520-V523 PolarHBondContact O-N 2.82Å; S520-N524 WeakPolarHBondContact O-CB 3.24Å; S520-N524 PolarHBondContact O-N 2.65Å |
| 521 | D | 46.2 | Very low | 53.7 | Low | 83 Ų | 83 | 116.7 Ų | 116.7 | 44% | 0.444 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.7 | -44.5 | -175.7 | -56 | -11.2 | 0 | 0 | 0 | 109.7 | L517 K519 V523 N524 Y525 | L517-D521 VanDerWaalsContact O-CB 3.27Å; L517-D521 WeakPolarHBondContact O-CB 3.47Å; L517-D521 PolarHBondContact O-N 2.89Å; K519-D521 VanDerWaalsContact C-N 3.28Å; D521-V523 VanDerWaalsContact C-N 3.3Å; D521-V523 PolarHBondContact O-N 3.48Å; D521-N524 PolarHBondContact O-N 3.18Å; D521-Y525 WeakPolarHBondContact O-CB 3.41Å; D521-Y525 WeakPolarHBondContact O-CD2 3.24Å; D521-Y525 PolarHBondContact O-N 3.38Å |
| 522 | A | 48.4 | Very low | 51.5 | Low | 62 Ų | 62 | 118 Ų | 118 | 51% | 0.512 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.6 | -19.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | T518 | T518-A522 WeakPolarHBondContact O-CB 3.3Å; T518-A522 PolarHBondContact O-N 2.96Å |
| 523 | V | 48.9 | Very low | 49.2 | Very low | 91 Ų | 91 | 116.9 Ų | 116.9 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -89.1 | -38.6 | 172.3 | 173.4 | 0 | 0 | 0 | 0 | 111 | K519 S520 D521 R526 F527 | K519-V523 WeakPolarHBondContact O-CB 3.46Å; K519-V523 WeakPolarHBondContact O-CG2 3.42Å; K519-V523 PolarHBondContact O-N 3.42Å; S520-V523 PolarHBondContact O-N 2.82Å; D521-V523 VanDerWaalsContact C-N 3.3Å; D521-V523 PolarHBondContact O-N 3.48Å; V523-R526 PolarHBondContact O-N 3.23Å; V523-R526 VanDerWaalsContact O-N 3.07Å; V523-F527 PolarHBondContact O-N 3.39Å |
| 524 | N | 41.4 | Very low | 47.1 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.3 | -36.1 | 178.2 | -154.9 | 12.6 | 0 | 0 | 0 | 111.5 | S520 D521 R526 | S520-N524 WeakPolarHBondContact O-CB 3.24Å; S520-N524 PolarHBondContact O-N 2.65Å; D521-N524 PolarHBondContact O-N 3.18Å; N524-R526 PolarHBondContact O-N 2.84Å |
| 525 | Y | 38.5 | Very low | 45.2 | Very low | 218 Ų | 218 | 129.6 Ų | 129.6 | 86% | 0.855 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.5 | -5.6 | 170 | -90.1 | -85.6 | 0 | 0 | 0 | 114.8 | D521 | D521-Y525 WeakPolarHBondContact O-CB 3.41Å; D521-Y525 WeakPolarHBondContact O-CD2 3.24Å; D521-Y525 PolarHBondContact O-N 3.38Å |
| 526 | R | 39.3 | Very low | 43.5 | Very low | 214 Ų | 214 | 134.4 Ų | 134.4 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -118 | -2.2 | -177.3 | -144.4 | 173.5 | -160.6 | 168.5 | 7.1 | 115.2 | V523 N524 | V523-R526 PolarHBondContact O-N 3.23Å; V523-R526 VanDerWaalsContact O-N 3.07Å; N524-R526 PolarHBondContact O-N 2.84Å |
| 527 | F | 36 | Very low | 42.1 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -123.8 | -9.9 | -176.6 | -119.7 | -88.5 | 0 | 0 | 0 | 116.4 | V523 | V523-F527 PolarHBondContact O-N 3.39Å |
| 528 | H | 35.3 | Very low | 41.2 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 69% | 0.694 | 69% | 0.685 | S | S | * | * | trans | -98.5 | 23.8 | 176 | -89.4 | -73 | 0 | 0 | 0 | 115 | S530 | H528-S530 PolarHBondContact O-N 3.06Š| ||
| 529 | Q | 31.8 | Very low | 40.4 | Very low | 201 Ų | 201 | 136.8 Ų | 136.8 | 94% | 0.939 | 69% | 0.692 | S | S | * | * | trans | -78.2 | 42.6 | 169.6 | -159.1 | 167.9 | 82.9 | 0 | 0 | 112.2 | ||||
| 530 | S | 33.6 | Very low | 39.7 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -156.8 | 142.7 | 161.6 | 80.5 | 0 | 0 | 0 | 0 | 111.1 | H528 | H528-S530 PolarHBondContact O-N 3.06Š|
| 531 | T | 39.4 | Very low | 38.9 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 74.4 | 116.7 | 158.6 | -34.2 | 0 | 0 | 0 | 0 | 118.1 | ||
| 532 | N | 35.3 | Very low | 38.4 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | 70.2 | 98.4 | 167.6 | -81.9 | -44.2 | 0 | 0 | 0 | 119.4 | ||||
| 533 | P | 35.3 | Very low | 37.9 | Very low | 109 Ų | 109 | 153.9 Ų | 153.9 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | -84.2 | 136.4 | 166.8 | 34.7 | -30.6 | 0 | 0 | 0 | 111 | ||||
| 534 | N | 38.7 | Very low | 37.5 | Very low | 151 Ų | 151 | 154.9 Ų | 154.9 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -175.1 | -8.7 | 154.8 | -99.9 | -35.7 | 0 | 0 | 0 | 116.1 | ||||
| 535 | Y | 36.3 | Very low | 37.2 | Very low | 235 Ų | 235 | 160.7 Ų | 160.7 | 92% | 0.922 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -104.5 | 7.2 | -174 | -93.4 | -81.3 | 0 | 0 | 0 | 116.7 | ||
| 536 | L | 37.7 | Very low | 36.9 | Very low | 148 Ų | 148 | 155.5 Ų | 155.5 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | trans | -99.6 | 24.2 | 178 | -104.5 | 171.9 | 0 | 0 | 0 | 113.7 | ||||
| 537 | L | 39.7 | Very low | 36.6 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -98.5 | 1 | -174.7 | -145.3 | 75.1 | 0 | 0 | 0 | 115 | ||
| 538 | E | 37.2 | Very low | 36.3 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -107.8 | -13.7 | -168.8 | -139.5 | 58.9 | -134.7 | 0 | 0 | 114.6 | ||
| 539 | S | 41.1 | Very low | 36.3 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -102.3 | -1.5 | -176 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 540 | E | 40.7 | Very low | 36.5 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -119.5 | 23.9 | -174.2 | -151.6 | 172.1 | -167.7 | 0 | 0 | 113.2 | ||
| 541 | K | 36.6 | Very low | 36.4 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | trans | -118.9 | 11.4 | -171.9 | -93.8 | -178.7 | 177.4 | 174.7 | 0 | 116.6 | H543 | K541-H543 PolarHBondContact O-N 2.89Å; K541-H543 VanDerWaalsContact O-N 3.07Å | ||
| 542 | R | 35.1 | Very low | 36.3 | Very low | 222 Ų | 222 | 144.6 Ų | 144.6 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -84.2 | 38.2 | -179.5 | -72.2 | -169.2 | 170.5 | -130.5 | -4.1 | 115.2 | ||||
| 543 | H | 39 | Very low | 36.2 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -144.3 | 78 | 163.8 | -74.7 | -54.6 | 0 | 0 | 0 | 110.7 | K541 | K541-H543 PolarHBondContact O-N 2.89Å; K541-H543 VanDerWaalsContact O-N 3.07Å | ||
| 544 | S | 40 | Very low | 36.2 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -146.8 | 105.2 | 160.5 | -158.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 545 | W | 34.2 | Very low | 36.1 | Very low | 225 Ų | 225 | 143.8 Ų | 143.8 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -74.9 | 119.1 | 165.8 | -79.4 | 72.8 | 0 | 0 | 0 | 107.4 | ||||
| 546 | L | 33.1 | Very low | 36 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 57% | 0.565 | 76% | 0.759 | S | S | * | * | trans | 144.2 | 127.8 | 141.1 | -78 | 151.6 | 0 | 0 | 0 | 113.7 | G714 | L546-G714 WeakPolarHBondContact CD1-O 3.49Å; L546-G714 WeakPolarHBondContact CD2-O 3.44Å | ||
| 547 | G | 32.6 | Very low | 36 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 90.7 | 108.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 548 | C | 30.4 | Very low | 35.8 | Very low | 115 Ų | 115 | 139 Ų | 139 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | 2.5 | 146.8 | 129 | -48.8 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 549 | D | 34.6 | Very low | 35.6 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | cis | -168.9 | 173.8 | -7.4 | -97 | -33.4 | 0 | 0 | 0 | 106 | ||||
| 550 | V | 36.4 | Very low | 35.5 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 171.9 | 128.2 | 125.8 | 153.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 551 | T | 31.9 | Very low | 35.3 | Very low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -49 | 146.4 | 173.6 | 49 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 552 | S | 37.7 | Very low | 35.2 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -148.5 | 129.2 | 152.1 | -70.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 553 | D | 32.1 | Very low | 35.3 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -51.1 | 146.2 | -164.6 | -59.9 | -63.6 | 0 | 0 | 0 | 118.7 | ||||
| 554 | S | 36.3 | Very low | 34.9 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -163.5 | 92.2 | 130.3 | 43.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 555 | S | 35.3 | Very low | 34.8 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 24.3 | 112.8 | 138.3 | 177.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 556 | E | 35.5 | Very low | 34.7 | Very low | 144 Ų | 144 | 134 Ų | 134 | 67% | 0.673 | 78% | 0.782 | S | S | * | * | -174.5 | 124.1 | 102.4 | -97.7 | -162.6 | 123 | 0 | 0 | 114.9 | |||||
| 557 | K | 37.6 | Very low | 35 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 45.8 | 118.1 | 139.8 | -61 | 168 | -175.3 | 159.4 | 0 | 121.3 | ||||
| 558 | G | 34.8 | Very low | 34.9 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 174.1 | 65.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 559 | Y | 32.9 | Very low | 35.1 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -75.8 | 136 | 179.3 | -66.8 | -95.6 | 0 | 0 | 0 | 112.9 | ||||
| 560 | Y | 39.2 | Very low | 35.2 | Very low | 237 Ų | 237 | 144.2 Ų | 144.2 | 93% | 0.929 | 80% | 0.799 | S | S | * | * | trans | -150.3 | 149.3 | 132.8 | -87.9 | -64.8 | 0 | 0 | 0 | 110.3 | ||||
| 561 | L | 37.1 | Very low | 35.1 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -92.6 | 153.7 | -159.1 | -82.5 | 66.1 | 0 | 0 | 0 | 114.6 | ||||
| 562 | I | 34.4 | Very low | 35.1 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 151 | 160.1 | -60.8 | 164.3 | 0 | 0 | 0 | 109.5 | ||||
| 563 | P | 35.9 | Very low | 35.1 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -127.4 | 145.9 | 140.9 | 10.2 | 11.2 | 0 | 0 | 0 | 113.8 | ||||
| 564 | D | 30.2 | Very low | 35.3 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -74.5 | 149.8 | -174.8 | -61 | -71.9 | 0 | 0 | 0 | 116 | ||||
| 565 | S | 38.5 | Very low | 35.3 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -175.5 | 128.6 | 154 | -74 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 566 | G | 33.3 | Very low | 35.4 | Very low | 67 Ų | 67 | 144.4 Ų | 144.4 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | cis | 147.3 | 152.7 | 8.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 567 | L | 38.2 | Very low | 35.5 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | trans | 75.7 | 150 | -178.6 | -44.3 | 175 | 0 | 0 | 0 | 115.8 | ||||
| 568 | N | 31.3 | Very low | 35.5 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | cis | 176.9 | -180 | -35.6 | -121.6 | -33.9 | 0 | 0 | 0 | 106.6 | ||||
| 569 | F | 34.9 | Very low | 35.5 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | trans | 79.5 | 96.4 | -174.4 | -48.2 | -67.4 | 0 | 0 | 0 | 113.2 | ||||
| 570 | Q | 34.8 | Very low | 35.6 | Very low | 154 Ų | 154 | 140 Ų | 140 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | 70.3 | 97.8 | 27.8 | -160.4 | 74.9 | 22.4 | 0 | 0 | 114.5 | ||||
| 571 | N | 35.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | 174.2 | 120.4 | 126 | -89 | -20.7 | 0 | 0 | 0 | 114.4 | |||||
| 572 | S | 32.4 | Very low | 35.3 | Very low | 83 Ų | 83 | 134 Ų | 134 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | trans | 60.9 | 129.7 | 143.2 | -129 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 573 | F | 36.2 | Very low | 35.6 | Very low | 193 Ų | 193 | 134.7 Ų | 134.7 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | cis | -137.9 | 147.6 | 29.9 | -94 | -98.5 | 0 | 0 | 0 | 113.9 | ||||
| 574 | D | 36.6 | Very low | 35.6 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | trans | -56 | 170.3 | 166.7 | -38.9 | -65.8 | 0 | 0 | 0 | 112.5 | ||||
| 575 | D | 36 | Very low | 35.8 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | cis | -165.5 | 161.6 | 21.7 | -147.1 | -34.9 | 0 | 0 | 0 | 111.8 | ||||
| 576 | S | 37.5 | Very low | 35.5 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | trans | 67.2 | 145.8 | 150.6 | -65.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 577 | L | 37.3 | Very low | 35.5 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | cis | -166.1 | 143.3 | -11.7 | -110.6 | 172.2 | 0 | 0 | 0 | 109.2 | ||||
| 578 | L | 39.4 | Very low | 35.2 | Very low | 152 Ų | 152 | 134 Ų | 134 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | 65.1 | 122 | 159 | -51.4 | 171.5 | 0 | 0 | 0 | 118.1 | ||||
| 579 | S | 33 | Very low | 35.4 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | 97.7 | 118.1 | 41.1 | -171.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 580 | C | 35.3 | Very low | 35.4 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | 155.2 | 82 | 156.7 | -89.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 581 | D | 32.7 | Very low | 35.4 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | 83 | 115.2 | 90.8 | -101.1 | -24.9 | 0 | 0 | 0 | 114.7 | |||||
| 582 | P | 38.6 | Very low | 35.2 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -103.3 | 106.8 | 177.2 | 35.3 | -26.6 | 0 | 0 | 0 | 112.1 | ||||
| 583 | N | 39.2 | Very low | 35.5 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -174.4 | 85.4 | 160.9 | -96.6 | -39.5 | 0 | 0 | 0 | 113.4 | ||||
| 584 | V | 37.1 | Very low | 36 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -140.8 | 116.5 | 157.9 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 585 | V | 33.4 | Very low | 36 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -98.5 | 126.8 | 170.6 | 171.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 586 | C | 32.2 | Very low | 36.4 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -143.3 | 126 | 156.1 | -137.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 587 | T | 33.4 | Very low | 37 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | trans | -71.3 | 170.9 | -169.9 | 51.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 588 | S | 32 | Very low | 37.4 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | 88.5 | 106.2 | 145.3 | -171.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 589 | K | 36.1 | Very low | 38 | Very low | 198 Ų | 198 | 149.8 Ų | 149.8 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | 89 | 121 | 71.7 | -120.1 | 175.7 | -175.7 | 173.9 | 0 | 114.4 | |||||
| 590 | A | 35.3 | Very low | 39.1 | Very low | 78 Ų | 78 | 152.4 Ų | 152.4 | 65% | 0.645 | 82% | 0.815 | S | S | * | * | trans | 63 | 135.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 591 | Y | 35.2 | Very low | 39.6 | Very low | 230 Ų | 230 | 153.3 Ų | 153.3 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | -154.9 | 170.7 | 53.2 | -90.5 | -84.3 | 0 | 0 | 0 | 113.9 | |||||
| 592 | C | 30.2 | Very low | 41 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -85.2 | 148.1 | -167 | -41 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 593 | K | 39.9 | Very low | 41.5 | Very low | 207 Ų | 207 | 155.1 Ų | 155.1 | 90% | 0.9 | 81% | 0.813 | S | S | * | * | -179.1 | 135 | 126.5 | -103.4 | 169.7 | -179 | 178.8 | 0 | 112.5 | |||||
| 594 | L | 45.5 | Very low | 42 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -92.3 | 129.9 | 171.6 | -167.3 | 76.3 | 0 | 0 | 0 | 109.7 | ||||
| 595 | P | 36.3 | Very low | 43 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -81.4 | 141.4 | -172.8 | 29.6 | -33.6 | 0 | 0 | 0 | 114.7 | R597 | P595-R597 PolarHBondContact O-N 3.33Å; P595-R597 VanDerWaalsContact O-N 3.12Å | ||
| 596 | Q | 45.9 | Very low | 44.5 | Very low | 183 Ų | 183 | 150.2 Ų | 150.2 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -88.9 | 39 | -160.2 | -165.1 | 173.1 | -46.4 | 0 | 0 | 114.7 | ||||
| 597 | R | 49.6 | Very low | 46.4 | Very low | 226 Ų | 226 | 146.1 Ų | 146.1 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -105.3 | -1.4 | -161.5 | -71.4 | -171.9 | 67.7 | 168.7 | -0.7 | 118.8 | P595 K599 | P595-R597 PolarHBondContact O-N 3.33Å; P595-R597 VanDerWaalsContact O-N 3.12Å; R597-K599 PolarHBondContact O-N 2.98Å | ||
| 598 | L | 45.4 | Very low | 48.4 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 94% | 0.942 | 76% | 0.763 | S | S | * | * | trans | -95.5 | 62.6 | 167.4 | -67.7 | 177.7 | 0 | 0 | 0 | 111.2 | ||||
| 599 | K | 51 | Low | 50.6 | Low | 183 Ų | 183 | 146 Ų | 146 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -140.7 | 21.4 | 177.6 | -131.9 | 177.7 | -172.6 | 179.7 | 0 | 115.1 | R597 | R597-K599 PolarHBondContact O-N 2.98Š| ||
| 600 | L | 57 | Low | 52.3 | Low | 155 Ų | 155 | 142.1 Ų | 142.1 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -135.4 | 129.5 | 155 | -68.9 | 114.3 | 0 | 0 | 0 | 103.5 | ||||
| 601 | I | 46.6 | Very low | 54.3 | Low | 140 Ų | 140 | 143.3 Ų | 143.3 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | -144.7 | 141.9 | 58.4 | -78.2 | 148.5 | 0 | 0 | 0 | 109.5 | L604 | I601-L604 HydrophobicContact CG2-CD1 3.63Å; I601-L604 HydrophobicContact CG2-CG 3.9Å | |||
| 602 | K | 61.4 | Low | 56.4 | Low | 172 Ų | 172 | 137.9 Ų | 137.9 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | -60.2 | 160 | 172.8 | -66.8 | 173.4 | 178.1 | 176.6 | 0 | 110.5 | L604 | K602-L604 PolarHBondContact O-N 2.95Š| ||
| 603 | P | 49.4 | Very low | 58.6 | Low | 127 Ų | 127 | 140.5 Ų | 140.5 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | trans | -56.7 | 105.2 | 160.7 | 25.9 | -33.4 | 0 | 0 | 0 | 108.5 | D605 | P603-D605 VanDerWaalsContact C-N 3.27Å; P603-D605 PolarHBondContact O-N 3.05Å; P603-D605 VanDerWaalsContact O-N 3.16Å | ||
| 604 | L | 48.7 | Very low | 60.4 | Low | 102 Ų | 102 | 136.7 Ų | 136.7 | 53% | 0.534 | 70% | 0.696 | S | S | . | * | trans | -89.7 | 67.2 | -179.1 | -74.1 | 176.7 | 0 | 0 | 0 | 109.9 | I601 K602 G606 S607 | I601-L604 HydrophobicContact CG2-CD1 3.63Å; I601-L604 HydrophobicContact CG2-CG 3.9Å; K602-L604 PolarHBondContact O-N 2.95Å; L604-G606 PolarHBondContact O-N 3.28Å; L604-S607 PolarHBondContact O-N 3.31Å | ||
| 605 | D | 58.4 | Low | 61.8 | Low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | 121 | 150.1 | -91.1 | -36.1 | 0 | 0 | 0 | 107.9 | P603 | P603-D605 VanDerWaalsContact C-N 3.27Å; P603-D605 PolarHBondContact O-N 3.05Å; P603-D605 VanDerWaalsContact O-N 3.16Å |
| 606 | G | 64.6 | Low | 63.6 | Low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.3 | 13.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117 | L604 N608 | L604-G606 PolarHBondContact O-N 3.28Å; G606-N608 PolarHBondContact O-N 2.87Å; G606-N608 VanDerWaalsContact O-N 3.09Å |
| 607 | S | 73.8 | Confident | 64.8 | Low | 38 Ų | 38 | 128.9 Ų | 128.9 | 27% | 0.266 | 66% | 0.66 | S | S | . | * | trans | -67.2 | 107.3 | 167.8 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | L604 V609 L610 Q611 | L604-S607 PolarHBondContact O-N 3.31Å; S607-V609 PolarHBondContact O-N 3Å; S607-V609 VanDerWaalsContact O-N 3.14Å; S607-V609 PolarHBondContact OG-N 2.93Å; S607-L610 WeakPolarHBondContact O-CB 3.37Å; S607-L610 PolarHBondContact O-N 2.98Å; S607-L610 PolarHBondContact OG-N 2.84Å; S607-Q611 PolarHBondContact O-N 3.47Å | ||
| 608 | N | 75.3 | Confident | 65.9 | Low | 130 Ų | 130 | 121.9 Ų | 121.9 | 70% | 0.695 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -52.1 | -32 | 171.2 | -93.5 | -56.2 | 0 | 0 | 0 | 112.6 | G606 H612 | G606-N608 PolarHBondContact O-N 2.87Å; G606-N608 VanDerWaalsContact O-N 3.09Å; N608-H612 VanDerWaalsContact O-CB 3.3Å; N608-H612 WeakPolarHBondContact O-CB 3.36Å; N608-H612 PolarHBondContact O-N 2.82Å |
| 609 | V | 76.8 | Confident | 66.5 | Low | 94 Ų | 94 | 119.4 Ų | 119.4 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.8 | -43.6 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | S607 H612 W613 | S607-V609 PolarHBondContact O-N 3Å; S607-V609 VanDerWaalsContact O-N 3.14Å; S607-V609 PolarHBondContact OG-N 2.93Å; V609-H612 WeakPolarHBondContact O-CB 3.43Å; V609-H612 PolarHBondContact O-N 3.05Å; V609-W613 VanDerWaalsContact O-CD1 3.25Å; V609-W613 PolarHBondContact O-N 3.33Å |
| 610 | L | 73.1 | Confident | 66.9 | Low | 116 Ų | 116 | 113.6 Ų | 113.6 | 61% | 0.607 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.3 | -41.4 | 177.3 | -163.9 | 75.2 | 0 | 0 | 0 | 111.4 | S607 H612 W613 Q614 | S607-L610 WeakPolarHBondContact O-CB 3.37Å; S607-L610 PolarHBondContact O-N 2.98Å; S607-L610 PolarHBondContact OG-N 2.84Å; L610-H612 VanDerWaalsContact C-N 3.33Å; L610-H612 PolarHBondContact O-N 3.06Å; L610-W613 PolarHBondContact O-N 3.01Å; L610-Q614 WeakPolarHBondContact O-CB 3.41Å; L610-Q614 PolarHBondContact O-N 3.09Å |
| 611 | Q | 77.1 | Confident | 66.7 | Low | 102 Ų | 102 | 114.2 Ų | 114.2 | 48% | 0.477 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.5 | -39.6 | 171.9 | -76.3 | -172.7 | -23.1 | 0 | 0 | 112.3 | S607 Q614 H615 | S607-Q611 PolarHBondContact O-N 3.47Å; Q611-Q614 PolarHBondContact O-N 2.94Å; Q611-H615 WeakPolarHBondContact O-CB 3.39Å; Q611-H615 PolarHBondContact O-CD2 3.18Å; Q611-H615 VanDerWaalsContact O-CD2 3.29Å; Q611-H615 PolarHBondContact O-N 2.92Å |
| 612 | H | 79.6 | Confident | 67.4 | Low | 117 Ų | 117 | 111.7 Ų | 111.7 | 54% | 0.542 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.1 | -46.2 | 176.2 | -172.4 | 73.7 | 0 | 0 | 0 | 111.8 | N608 V609 L610 Q614 H615 L616 | N608-H612 VanDerWaalsContact O-CB 3.3Å; N608-H612 WeakPolarHBondContact O-CB 3.36Å; N608-H612 PolarHBondContact O-N 2.82Å; V609-H612 WeakPolarHBondContact O-CB 3.43Å; V609-H612 PolarHBondContact O-N 3.05Å; L610-H612 VanDerWaalsContact C-N 3.33Å; L610-H612 PolarHBondContact O-N 3.06Å; H612-Q614 VanDerWaalsContact C-N 3.33Å; H612-Q614 PolarHBondContact O-N 3.24Å; H612-H615 PolarHBondContact O-N 3.47Å; H612-L616 WeakPolarHBondContact O-CG 3.33Å; H612-L616 PolarHBondContact O-N 3.12Å |
| 613 | W | 74.4 | Confident | 67.1 | Low | 173 Ų | 173 | 109.8 Ų | 109.8 | 66% | 0.655 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.6 | -38.2 | 173.8 | -83.4 | 86.4 | 0 | 0 | 0 | 112.2 | V609 L610 L616 A617 | V609-W613 VanDerWaalsContact O-CD1 3.25Å; V609-W613 PolarHBondContact O-N 3.33Å; L610-W613 PolarHBondContact O-N 3.01Å; W613-L616 PolarHBondContact O-N 2.87Å; W613-A617 VanDerWaalsContact O-CB 3.27Å; W613-A617 WeakPolarHBondContact O-CB 3.19Å; W613-A617 PolarHBondContact O-N 3.47Å |
| 614 | Q | 78.7 | Confident | 67.2 | Low | 127 Ų | 127 | 108 Ų | 108 | 59% | 0.593 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.3 | -35.7 | 174.8 | -167.3 | 173 | 14.5 | 0 | 0 | 112.5 | L610 Q611 H612 L616 A617 T618 | L610-Q614 WeakPolarHBondContact O-CB 3.41Å; L610-Q614 PolarHBondContact O-N 3.09Å; Q611-Q614 PolarHBondContact O-N 2.94Å; H612-Q614 VanDerWaalsContact C-N 3.33Å; H612-Q614 PolarHBondContact O-N 3.24Å; Q614-L616 VanDerWaalsContact C-N 3.34Å; Q614-A617 PolarHBondContact O-N 3.18Å; Q614-T618 WeakPolarHBondContact O-CB 3.42Å; Q614-T618 WeakPolarHBondContact O-CG2 3.35Å; Q614-T618 PolarHBondContact O-N 2.87Å; Q614-T618 VanDerWaalsContact O-N 3.12Å; Q614-T618 PolarHBondContact O-OG1 2.93Å |
| 615 | H | 75.1 | Confident | 67.6 | Low | 132 Ų | 132 | 108.4 Ų | 108.4 | 61% | 0.611 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.7 | -26.6 | 171.8 | -91.1 | -66.3 | 0 | 0 | 0 | 113.8 | Q611 H612 | Q611-H615 WeakPolarHBondContact O-CB 3.39Å; Q611-H615 PolarHBondContact O-CD2 3.18Å; Q611-H615 VanDerWaalsContact O-CD2 3.29Å; Q611-H615 PolarHBondContact O-N 2.92Å; H612-H615 PolarHBondContact O-N 3.47Å |
| 616 | L | 73 | Confident | 67.4 | Low | 88 Ų | 88 | 107.7 Ų | 107.7 | 46% | 0.461 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -80.5 | -34.4 | 172 | -68.6 | 173.1 | 0 | 0 | 0 | 112 | H612 W613 Q614 L630 | H612-L616 WeakPolarHBondContact O-CG 3.33Å; H612-L616 PolarHBondContact O-N 3.12Å; W613-L616 PolarHBondContact O-N 2.87Å; Q614-L616 VanDerWaalsContact C-N 3.34Å; L616-L630 HydrophobicContact CD2-CD2 4.3Å |
| 617 | A | 72.9 | Confident | 66.8 | Low | 76 Ų | 76 | 113.2 Ų | 113.2 | 63% | 0.628 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -86 | -8.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | W613 Q614 P619 | W613-A617 VanDerWaalsContact O-CB 3.27Å; W613-A617 WeakPolarHBondContact O-CB 3.19Å; W613-A617 PolarHBondContact O-N 3.47Å; Q614-A617 PolarHBondContact O-N 3.18Å; A617-P619 VanDerWaalsContact O-CD 3.24Å; A617-P619 WeakPolarHBondContact O-CD 3.5Å |
| 618 | T | 71 | Confident | 66.1 | Low | 78 Ų | 78 | 115 Ų | 115 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -93.1 | 108.1 | 178.2 | 35.2 | 0 | 0 | 0 | 0 | 111.2 | Q614 S620 | Q614-T618 WeakPolarHBondContact O-CB 3.42Å; Q614-T618 WeakPolarHBondContact O-CG2 3.35Å; Q614-T618 PolarHBondContact O-N 2.87Å; Q614-T618 VanDerWaalsContact O-N 3.12Å; Q614-T618 PolarHBondContact O-OG1 2.93Å; T618-S620 PolarHBondContact O-N 3.38Å |
| 619 | P | 59.7 | Low | 65.3 | Low | 128 Ų | 128 | 113.9 Ų | 113.9 | 83% | 0.831 | 61% | 0.614 | S | S | * | * | trans | -71.9 | 90.5 | 175.5 | 29.8 | -34.8 | 0 | 0 | 0 | 110.2 | A617 F621 | A617-P619 VanDerWaalsContact O-CD 3.24Å; A617-P619 WeakPolarHBondContact O-CD 3.5Å; P619-F621 PolarHBondContact O-N 3.04Å | ||
| 620 | S | 57.7 | Low | 64.1 | Low | 61 Ų | 61 | 112.9 Ų | 112.9 | 43% | 0.427 | 61% | 0.606 | S | S | . | * | trans | -64.7 | 120.6 | 168.1 | 172.4 | 0 | 0 | 0 | 0 | 109.5 | T618 T622 R623 A624 | T618-S620 PolarHBondContact O-N 3.38Å; S620-T622 PolarHBondContact O-N 2.91Å; S620-T622 VanDerWaalsContact O-N 3.16Å; S620-T622 PolarHBondContact OG-N 3.34Å; S620-R623 WeakPolarHBondContact O-CA 3.24Å; S620-R623 WeakPolarHBondContact O-CB 3.43Å; S620-R623 PolarHBondContact O-N 3.35Å; S620-A624 PolarHBondContact O-N 3.28Å | ||
| 621 | F | 54.2 | Low | 63.5 | Low | 168 Ų | 168 | 113.5 Ų | 113.5 | 74% | 0.737 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -51.6 | -36.3 | 173.9 | -178.5 | -98.3 | 0 | 0 | 0 | 112.1 | P619 R623 A624 L625 | P619-F621 PolarHBondContact O-N 3.04Å; F621-R623 VanDerWaalsContact C-N 3.32Å; F621-R623 PolarHBondContact O-N 3.22Å; F621-A624 PolarHBondContact O-N 3.31Å; F621-L625 HydrophobicContact CD1-CD1 4.04Å; F621-L625 HydrophobicContact CE1-CD1 3.54Å; F621-L625 HydrophobicContact CZ-CD1 4Å |
| 622 | T | 59.7 | Low | 62.6 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 54% | 0.54 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -65.8 | -31.2 | 175.7 | -39 | 0 | 0 | 0 | 0 | 112.8 | S620 A624 F626 | S620-T622 PolarHBondContact O-N 2.91Å; S620-T622 VanDerWaalsContact O-N 3.16Å; S620-T622 PolarHBondContact OG-N 3.34Å; T622-A624 VanDerWaalsContact C-N 3.33Å; T622-F626 HydrophobicContact CG2-CD2 4.35Å; T622-F626 HydrophobicContact CG2-CE2 4.24Å; T622-F626 WeakPolarHBondContact O-CD2 3.49Å |
| 623 | R | 55.1 | Low | 61 | Low | 131 Ų | 131 | 111.9 Ų | 111.9 | 49% | 0.494 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -78.3 | -17.2 | 178.6 | -161.4 | 176.4 | -170.9 | 178.7 | 4.9 | 113.1 | S620 F621 | S620-R623 WeakPolarHBondContact O-CA 3.24Å; S620-R623 WeakPolarHBondContact O-CB 3.43Å; S620-R623 PolarHBondContact O-N 3.35Å; F621-R623 VanDerWaalsContact C-N 3.32Å; F621-R623 PolarHBondContact O-N 3.22Å |
| 624 | A | 53.1 | Low | 59.8 | Low | 89 Ų | 89 | 112.8 Ų | 112.8 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -85.3 | -11.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S620 F621 T622 | S620-A624 PolarHBondContact O-N 3.28Å; F621-A624 PolarHBondContact O-N 3.31Å; T622-A624 VanDerWaalsContact C-N 3.33Å |
| 625 | L | 55.5 | Low | 58.2 | Low | 112 Ų | 112 | 111 Ų | 111 | 59% | 0.586 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -102.5 | -10 | -176 | -83.8 | 169.8 | 0 | 0 | 0 | 114.9 | F621 | F621-L625 HydrophobicContact CD1-CD1 4.04Å; F621-L625 HydrophobicContact CE1-CD1 3.54Å; F621-L625 HydrophobicContact CZ-CD1 4Å |
| 626 | F | 56.1 | Low | 56.6 | Low | 150 Ų | 150 | 116.9 Ų | 116.9 | 66% | 0.658 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -125.8 | 110.8 | -179.9 | -65.5 | -72.8 | 0 | 0 | 0 | 109.9 | T622 A628 | T622-F626 HydrophobicContact CG2-CD2 4.35Å; T622-F626 HydrophobicContact CG2-CE2 4.24Å; T622-F626 WeakPolarHBondContact O-CD2 3.49Å; F626-A628 PolarHBondContact O-N 2.92Å |
| 627 | D | 52.1 | Low | 55.2 | Low | 179 Ų | 179 | 117.2 Ų | 117.2 | 96% | 0.957 | 68% | 0.684 | S | S | * | * | trans | -57.6 | 99.8 | -178.8 | -81.1 | -47.7 | 0 | 0 | 0 | 112.2 | ||||
| 628 | A | 58.5 | Low | 53.6 | Low | 75 Ų | 75 | 116.8 Ų | 116.8 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | trans | -144 | 103.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | F626 L630 | F626-A628 PolarHBondContact O-N 2.92Å; A628-L630 PolarHBondContact O-N 2.78Å | ||
| 629 | P | 58.6 | Low | 52 | Low | 107 Ų | 107 | 119.6 Ų | 119.6 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 139.4 | 179.1 | 25.2 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 630 | L | 52.1 | Low | 51 | Low | 73 Ų | 73 | 118.7 Ų | 118.7 | 38% | 0.382 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 132.9 | 179.4 | -74.4 | 98.5 | 0 | 0 | 0 | 110.5 | L616 A628 G632 V633 | L616-L630 HydrophobicContact CD2-CD2 4.3Å; A628-L630 PolarHBondContact O-N 2.78Å; L630-G632 PolarHBondContact O-N 2.97Å; L630-G632 VanDerWaalsContact O-N 3.13Å; L630-V633 PolarHBondContact O-N 3.24Å |
| 631 | P | 60.5 | Low | 49.9 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 84% | 0.844 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 120.7 | 171.7 | -22.6 | 32.9 | 0 | 0 | 0 | 110.3 | ||
| 632 | G | 56.3 | Low | 49 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.2 | -2.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L630 | L630-G632 PolarHBondContact O-N 2.97Å; L630-G632 VanDerWaalsContact O-N 3.13Å |
| 633 | V | 47.1 | Very low | 48.1 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | trans | -120.3 | 110.9 | 173.9 | -176 | 0 | 0 | 0 | 0 | 110.2 | L630 S635 | L630-V633 PolarHBondContact O-N 3.24Å; V633-S635 PolarHBondContact O-N 3.41Å | ||
| 634 | Q | 48.1 | Very low | 47.2 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | -84.7 | 97.1 | -179.9 | -163.1 | 172 | 38.7 | 0 | 0 | 109.8 | R636 | Q634-R636 PolarHBondContact O-N 2.81Š| ||
| 635 | S | 45.1 | Very low | 46.8 | Very low | 89 Ų | 89 | 125 Ų | 125 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | trans | -60.9 | 107.9 | 174.2 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | V633 A637 | V633-S635 PolarHBondContact O-N 3.41Å; S635-A637 PolarHBondContact O-N 3.36Å | ||
| 636 | R | 42.9 | Very low | 46 | Very low | 255 Ų | 255 | 126.6 Ų | 126.6 | 96% | 0.962 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -76.1 | 61.6 | 178.4 | -169.3 | 179.1 | 170.5 | -165.7 | -4.9 | 111.1 | Q634 | Q634-R636 PolarHBondContact O-N 2.81Š|
| 637 | A | 42.5 | Very low | 45 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | -142.9 | 73.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | S635 | S635-A637 PolarHBondContact O-N 3.36Š| ||
| 638 | G | 39.2 | Very low | 44.2 | Very low | 66 Ų | 66 | 124.3 Ų | 124.3 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | -176.4 | 74.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S640 | G638-S640 PolarHBondContact O-N 2.87Š| ||
| 639 | V | 37.7 | Very low | 43.1 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -77.4 | 85.8 | 165.4 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | D641 | V639-D641 PolarHBondContact O-N 3.1Š| ||
| 640 | S | 40 | Very low | 42.1 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -80.6 | 94.9 | 170.7 | 53.6 | 0 | 0 | 0 | 0 | 109.3 | G638 S642 | G638-S640 PolarHBondContact O-N 2.87Å; S640-S642 PolarHBondContact O-N 3.02Å; S640-S642 VanDerWaalsContact O-N 3.08Å | ||
| 641 | D | 33.5 | Very low | 41.4 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -63.4 | 103 | 161.8 | -78.5 | -36.7 | 0 | 0 | 0 | 109.2 | V639 | V639-D641 PolarHBondContact O-N 3.1Š| ||
| 642 | S | 36.1 | Very low | 40.3 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 169.9 | 104.2 | 145.8 | 38.9 | 0 | 0 | 0 | 0 | 112.5 | S640 | S640-S642 PolarHBondContact O-N 3.02Å; S640-S642 VanDerWaalsContact O-N 3.08Å | ||
| 643 | T | 39.2 | Very low | 39.5 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -165.1 | 77 | 142.6 | 24.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 644 | N | 37.2 | Very low | 39.3 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -122 | 87 | 151.1 | -111.2 | -19.2 | 0 | 0 | 0 | 107.5 | N646 | N644-N646 PolarHBondContact O-N 2.96Š| ||
| 645 | T | 43.7 | Very low | 38.8 | Very low | 113 Ų | 113 | 128 Ų | 128 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | -66.5 | 114.7 | 166.4 | 46.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 646 | N | 39.6 | Very low | 38.6 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | 160.2 | 155.9 | 126.6 | -77.3 | -27.7 | 0 | 0 | 0 | 112.5 | N644 | N644-N646 PolarHBondContact O-N 2.96Š| |||
| 647 | C | 34.2 | Very low | 38.3 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 74.5 | 67.9 | 168.5 | -59.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 648 | L | 36.1 | Very low | 38.2 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | 39.7 | 127.3 | 110.5 | -74.8 | 167.4 | 0 | 0 | 0 | 120.4 | |||||
| 649 | T | 35.5 | Very low | 38 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | 92.8 | 102.1 | 132.2 | -60.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 650 | M | 36.9 | Very low | 38 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | 72.1 | 145.4 | 142.2 | -56.7 | -74.4 | -84.5 | 0 | 0 | 118.7 | ||||
| 651 | A | 38 | Very low | 37.9 | Very low | 68 Ų | 68 | 139 Ų | 139 | 56% | 0.562 | 78% | 0.78 | S | S | * | * | cis | -166.1 | 152.8 | -15.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 652 | S | 36.6 | Very low | 38 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 62 | 152 | 143.5 | 60.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 653 | A | 40 | Very low | 38 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | 81 | 104.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 654 | T | 44.1 | Very low | 37.7 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | 62.6 | 135.9 | 78.8 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 655 | D | 37.6 | Very low | 37.9 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | cis | -170.1 | 177.9 | 4.5 | 163.5 | 52.9 | 0 | 0 | 0 | 109.2 | ||||
| 656 | S | 39.2 | Very low | 37.4 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | trans | 77.2 | 95.9 | 154.2 | -83.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 657 | R | 37.9 | Very low | 37.4 | Very low | 231 Ų | 231 | 133 Ų | 133 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | 26.9 | 120.2 | 120.7 | -60 | 176 | 177 | -123.5 | -1.7 | 118.8 | |||||
| 658 | Q | 40.3 | Very low | 37.1 | Very low | 199 Ų | 199 | 133 Ų | 133 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | -173.8 | 140 | 115.3 | -100.7 | 167.9 | 25.8 | 0 | 0 | 113.3 | |||||
| 659 | R | 33.8 | Very low | 37.1 | Very low | 230 Ų | 230 | 132.8 Ų | 132.8 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -84.4 | 174.4 | 158.3 | -116.5 | -172.7 | 177.1 | 172.2 | -0.6 | 107.7 | ||||
| 660 | P | 38.8 | Very low | 36.8 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | cis | -141.9 | 175.8 | 13.8 | 28.8 | -3.1 | 0 | 0 | 0 | 117.6 | ||||
| 661 | V | 37.2 | Very low | 36.6 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 28.8 | 117.3 | 140.2 | -175.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 662 | S | 36 | Very low | 36.3 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | -158.6 | 161.9 | 123.6 | -157.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 663 | V | 36.2 | Very low | 36.4 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -81.1 | 142.8 | -178.6 | -145.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 664 | G | 33.8 | Very low | 36.4 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -170.2 | 116.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 665 | S | 39.6 | Very low | 36.2 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -64.4 | 155.2 | -179.3 | -52.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 666 | S | 33.1 | Very low | 36.2 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -51.2 | 151.3 | 163.1 | -44.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 667 | P | 39.6 | Very low | 35.8 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | -139.1 | 162.3 | 88.6 | 36 | -22.2 | 0 | 0 | 0 | 115 | |||||
| 668 | C | 28.9 | Very low | 35.4 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -72.4 | 139.3 | 173.3 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 669 | I | 35.4 | Very low | 34.6 | Very low | 159 Ų | 159 | 134 Ų | 134 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | -136.6 | 120.7 | 153.7 | -61.2 | -177.3 | 0 | 0 | 0 | 107.6 | ||||
| 670 | S | 30.1 | Very low | 34.8 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 142.7 | 172 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 671 | N | 32.6 | Very low | 34.2 | Very low | 173 Ų | 173 | 129 Ų | 129 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -156.2 | 155.1 | 148.5 | -108.9 | -24.5 | 0 | 0 | 0 | 112.9 | ||||
| 672 | S | 32.4 | Very low | 34.1 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -117.2 | 141.4 | -160.7 | 169.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 673 | S | 38.6 | Very low | 33.8 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -169.6 | 113.6 | 151.3 | -80.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 674 | Q | 38.5 | Very low | 33.6 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | 90.7 | 152.3 | 66.3 | -84.6 | -158.9 | 9.8 | 0 | 0 | 114.5 | |||||
| 675 | V | 40 | Very low | 33.8 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | trans | 74.5 | 151.1 | 169.1 | -114.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 676 | P | 37.3 | Very low | 33.4 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | -139 | 166.4 | -86.4 | 46.1 | -31.7 | 0 | 0 | 0 | 118.8 | |||||
| 677 | L | 30.8 | Very low | 33.7 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | 9 | 132 | 143.9 | -54.6 | 173.5 | 0 | 0 | 0 | 122.4 | ||||
| 678 | K | 30.1 | Very low | 33.5 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -154.1 | 128.7 | 130.2 | -158.6 | 92.9 | 178.4 | -169.5 | 0 | 111.1 | ||||
| 679 | C | 24.4 | Very low | 33.9 | Very low | 119 Ų | 119 | 135 Ų | 135 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -105.5 | 151.8 | 170.1 | -66.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 680 | S | 36.9 | Very low | 33.8 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -152.4 | 128.6 | 156.5 | -77.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 681 | S | 27.6 | Very low | 34.1 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -93.6 | 153.1 | 174.8 | 47.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 682 | L | 34.1 | Very low | 34.1 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | -147.5 | 154.3 | 152.5 | -81.8 | -173.9 | 0 | 0 | 0 | 111 | ||||
| 683 | T | 29.2 | Very low | 34.2 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -135.3 | 163 | -166.6 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 684 | A | 32.8 | Very low | 33.9 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 62% | 0.62 | 80% | 0.801 | S | S | * | * | trans | 75.3 | 141.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 685 | H | 38.1 | Very low | 33.9 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | cis | -159.3 | 162.4 | 43.2 | -82 | -89.1 | 0 | 0 | 0 | 112.8 | ||||
| 686 | S | 31.9 | Very low | 33.6 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -118.8 | 148.7 | 166.2 | 43.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 687 | P | 39.3 | Very low | 33.1 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | -142.7 | 145.6 | 119.8 | 28.6 | -9.6 | 0 | 0 | 0 | 112.5 | |||||
| 688 | S | 35.3 | Very low | 33.3 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | 64.2 | 106.4 | 73.9 | -49.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 689 | D | 36.2 | Very low | 33.4 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | 169.9 | 154.9 | 109.6 | -85.2 | -25 | 0 | 0 | 0 | 115.2 | |||||
| 690 | L | 33.2 | Very low | 33.8 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -89.6 | -160.9 | -177.5 | -120 | 78.6 | 0 | 0 | 0 | 110.8 | ||||
| 691 | P | 37.9 | Very low | 33.4 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | cis | -140.9 | 174 | 2.6 | 21.8 | 6.1 | 0 | 0 | 0 | 118.8 | ||||
| 692 | H | 32.2 | Very low | 33.6 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | 71.6 | 124.6 | 138.9 | -79.7 | 36.5 | 0 | 0 | 0 | 123.4 | ||||
| 693 | G | 34.2 | Very low | 33.5 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -161.4 | 129.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 694 | Q | 32.7 | Very low | 33.4 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -86.8 | 165.5 | -158.7 | -99.2 | -168.3 | -44.7 | 0 | 0 | 117 | ||||
| 695 | P | 37.6 | Very low | 33.4 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -92.2 | 174.2 | -167.9 | 38.7 | -38.2 | 0 | 0 | 0 | 114.4 | ||||
| 696 | N | 33.7 | Very low | 33 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -133.9 | 108 | 167.9 | -155.9 | -22.8 | 0 | 0 | 0 | 111.7 | ||||
| 697 | M | 27.4 | Very low | 32.7 | Very low | 172 Ų | 172 | 146 Ų | 146 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -98.6 | 117.5 | 173.4 | -88.9 | -83.6 | -76.8 | 0 | 0 | 110 | ||||
| 698 | R | 34.2 | Very low | 32.5 | Very low | 222 Ų | 222 | 146.3 Ų | 146.3 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -137.6 | 109 | 155.2 | -77.5 | -175.2 | 167.1 | 152.9 | -3.1 | 107.2 | ||||
| 699 | L | 32.6 | Very low | 32.3 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | 60 | 107.2 | 92 | -149.1 | 99.6 | 0 | 0 | 0 | 109.4 | |||||
| 700 | V | 31.8 | Very low | 32 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | -151.1 | 132.1 | 45.3 | 170.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 701 | Q | 28.5 | Very low | 32 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | 68.7 | 75.6 | 51.1 | -166.4 | 163.2 | -15.9 | 0 | 0 | 116.7 | |||||
| 702 | E | 31.8 | Very low | 31.6 | Very low | 185 Ų | 185 | 152.4 Ų | 152.4 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -154.5 | 94.9 | 136.8 | -111.3 | 179 | 161.8 | 0 | 0 | 107.4 | ||||
| 703 | S | 31.9 | Very low | 31.4 | Very low | 101 Ų | 101 | 151.4 Ų | 151.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 69.9 | 89.9 | 102.4 | -60.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 704 | L | 28.5 | Very low | 31.1 | Very low | 161 Ų | 161 | 149 Ų | 149 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | 73.5 | 143.9 | 71.3 | -167.1 | 67.3 | 0 | 0 | 0 | 112.7 | |||||
| 705 | E | 31.6 | Very low | 31 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 66% | 0.659 | 75% | 0.752 | S | S | * | * | trans | 77 | 129.7 | 178.1 | -50.9 | -158.1 | 143.7 | 0 | 0 | 116.4 | ||||
| 706 | K | 30.2 | Very low | 30.4 | Very low | 167 Ų | 167 | 147 Ų | 147 | 73% | 0.726 | 75% | 0.746 | S | S | * | * | cis | -148.1 | 130.5 | -0.9 | -106.6 | 147.2 | -175.9 | 150.4 | 0 | 109.8 | ||||
| 707 | C | 25.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | trans | -80.1 | 157.9 | 157.4 | -61.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 708 | T | 36.2 | Very low | 30.3 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | 163.3 | 140.2 | 127.8 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 709 | N | 31.1 | Very low | 29.9 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 65.4 | 108.8 | 157.5 | -47.6 | -24.2 | 0 | 0 | 0 | 116.8 | ||||
| 710 | L | 30.1 | Very low | 29.8 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | cis | 71.6 | 90.4 | 17.3 | -125.9 | 170.3 | 0 | 0 | 0 | 114.8 | ||||
| 711 | N | 32.4 | Very low | 29.6 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | 160.8 | 131 | 132.8 | -86.9 | -42.1 | 0 | 0 | 0 | 113.7 | ||||
| 712 | R | 29.4 | Very low | 29.9 | Very low | 218 Ų | 218 | 140.1 Ų | 140.1 | 82% | 0.823 | 75% | 0.753 | S | S | * | * | 153.5 | 97.7 | 122.1 | -178.5 | 155.2 | -81.7 | -120.3 | 3.4 | 115.1 | |||||
| 713 | F | 28.8 | Very low | 29.8 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 57.6 | 115.6 | 144.1 | -74.3 | -105.9 | 0 | 0 | 0 | 123.1 | ||||
| 714 | G | 28.3 | Very low | 29.9 | Very low | 29 Ų | 29 | 140.4 Ų | 140.4 | 30% | 0.299 | 75% | 0.752 | S | S | . | * | 121.5 | 117.1 | 85.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | L546 | L546-G714 WeakPolarHBondContact CD1-O 3.49Å; L546-G714 WeakPolarHBondContact CD2-O 3.44Å | |||
| 715 | F | 28.9 | Very low | 30.1 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 77% | 0.768 | 75% | 0.748 | S | S | * | * | trans | 68.9 | 153.3 | 157.1 | -49.4 | -69.7 | 0 | 0 | 0 | 118.1 | ||||
| 716 | S | 24.9 | Very low | 30.3 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -168.3 | 131.8 | -18.8 | -96 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 717 | S | 29.4 | Very low | 30.6 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 161.7 | 109.5 | 144.5 | -79.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 718 | S | 30.3 | Very low | 31 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | -107 | 106.9 | 157.8 | -66.9 | 0 | 0 | 0 | 0 | 108.3 | C720 | S718-C720 PolarHBondContact O-N 2.85Å; S718-C720 VanDerWaalsContact O-N 3.16Å | ||
| 719 | T | 26.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -76.3 | 95.2 | 170.5 | 46 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 720 | C | 30.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -112 | 119.4 | 165.9 | 53.9 | 0 | 0 | 0 | 0 | 110 | S718 L722 | S718-C720 PolarHBondContact O-N 2.85Å; S718-C720 VanDerWaalsContact O-N 3.16Å; C720-L722 PolarHBondContact O-N 2.89Å | ||
| 721 | F | 27.1 | Very low | 31.5 | Very low | 203 Ų | 203 | 143.6 Ų | 143.6 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -61.3 | 119.3 | 178.6 | -72.5 | -103.7 | 0 | 0 | 0 | 111.4 | ||||
| 722 | L | 33.5 | Very low | 31.5 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -140.7 | 115.1 | 152.4 | -79.5 | -176.5 | 0 | 0 | 0 | 110.6 | C720 N724 | C720-L722 PolarHBondContact O-N 2.89Å; L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.38Å | ||
| 723 | N | 31 | Very low | 31.8 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | trans | -75.7 | 79.8 | 176.9 | -129.5 | -13.4 | 0 | 0 | 0 | 109.5 | G725 | N723-G725 PolarHBondContact O-N 3.12Š| ||
| 724 | N | 34.4 | Very low | 32.1 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 65% | 0.647 | 78% | 0.775 | S | S | * | * | trans | -90.9 | 90.8 | 173.8 | -87.8 | 2.8 | 0 | 0 | 0 | 110.2 | L722 L726 | L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.38Å; N724-L726 PolarHBondContact O-N 2.95Å | ||
| 725 | G | 32.2 | Very low | 32.5 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -62.5 | 99.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N723 R727 | N723-G725 PolarHBondContact O-N 3.12Å; G725-R727 PolarHBondContact O-N 2.76Å | ||
| 726 | L | 34.4 | Very low | 32.7 | Very low | 167 Ų | 167 | 144 Ų | 144 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -63.4 | 94.2 | 175.2 | -77.8 | 168.2 | 0 | 0 | 0 | 110.2 | N724 T728 | N724-L726 PolarHBondContact O-N 2.95Å; L726-T728 PolarHBondContact O-N 2.79Å | ||
| 727 | R | 37.8 | Very low | 33.1 | Very low | 206 Ų | 206 | 142.8 Ų | 142.8 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -66.6 | 102 | 163.7 | -85.9 | -176 | 162.6 | -163.1 | -4.1 | 108.9 | G725 R729 | G725-R727 PolarHBondContact O-N 2.76Å; R727-R729 PolarHBondContact O-N 3.23Å | ||
| 728 | T | 33.9 | Very low | 33.4 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -52.1 | 117.8 | 164.2 | 45.4 | 0 | 0 | 0 | 0 | 109.9 | L726 | L726-T728 PolarHBondContact O-N 2.79Š| ||
| 729 | R | 40.2 | Very low | 33.5 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -144.8 | 128.7 | 171.4 | -73.7 | -164.8 | 168.8 | -139.7 | -6.4 | 111.3 | R727 | R727-R729 PolarHBondContact O-N 3.23Š| ||
| 730 | S | 32.2 | Very low | 33.6 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | trans | 72.2 | 93.2 | 158.5 | -164.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 731 | L | 35.9 | Very low | 33.5 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -129.9 | 42.9 | 147.7 | -161.3 | 91 | 0 | 0 | 0 | 110.4 | ||||
| 732 | D | 31.4 | Very low | 33.4 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -122.4 | 50.2 | -173.5 | -68.2 | -63 | 0 | 0 | 0 | 112.7 | ||||
| 733 | H | 36.4 | Very low | 33.5 | Very low | 179 Ų | 179 | 141 Ų | 141 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -151 | 65.2 | 171.5 | -82.6 | -53.7 | 0 | 0 | 0 | 112.5 | ||||
| 734 | L | 34.9 | Very low | 33.4 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -161.3 | 158.5 | 160 | -100.4 | 153.4 | 0 | 0 | 0 | 107.4 | ||||
| 735 | V | 36.4 | Very low | 33.4 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | 72.7 | 81.1 | -169.8 | -166.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 736 | A | 32.9 | Very low | 33.5 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -141 | 119.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 737 | G | 32.9 | Very low | 33.7 | Very low | 67 Ų | 67 | 147.2 Ų | 147.2 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | 114.6 | 112.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 738 | S | 35.6 | Very low | 33.5 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | cis | -144.9 | 145.1 | 32.3 | -58.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 739 | S | 32.9 | Very low | 33.5 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | 39.2 | 116.8 | 141.9 | -53.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 740 | S | 27.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -46.8 | 147.5 | 164.3 | 55 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 741 | S | 29.9 | Very low | 33.4 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | -145.8 | 148.3 | 127.2 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 742 | S | 25.8 | Very low | 33 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | trans | -123.7 | 131 | -171.1 | 137.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 743 | Y | 33.9 | Very low | 33.1 | Very low | 230 Ų | 230 | 143 Ų | 143 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -143.7 | 129.3 | 149.6 | -101.8 | -81.1 | 0 | 0 | 0 | 110.4 | ||||
| 744 | N | 29.4 | Very low | 32.8 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | -83.6 | 147.4 | 166.1 | -61.5 | -80.9 | 0 | 0 | 0 | 108.3 | ||||
| 745 | D | 35 | Very low | 32.6 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | -152.7 | 156.1 | 115.6 | -132.6 | -27.5 | 0 | 0 | 0 | 112.5 | |||||
| 746 | K | 33.8 | Very low | 32.3 | Very low | 189 Ų | 189 | 141 Ų | 141 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -105.5 | 129.3 | 171.5 | -73.9 | -179.6 | 176.8 | 179.4 | 0 | 108.2 | ||||
| 747 | D | 38.3 | Very low | 32.3 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -151.1 | 164.8 | 146 | -125.3 | -31.3 | 0 | 0 | 0 | 113.9 | ||||
| 748 | S | 34.5 | Very low | 32.3 | Very low | 82 Ų | 82 | 146.2 Ų | 146.2 | 57% | 0.573 | 78% | 0.778 | S | S | * | * | trans | -125 | 156.1 | -157.5 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 749 | N | 33.5 | Very low | 32 | Very low | 137 Ų | 137 | 149.1 Ų | 149.1 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 75.3 | 104.9 | 165.7 | -43.4 | -61 | 0 | 0 | 0 | 118.1 | ||||
| 750 | N | 33.8 | Very low | 31.8 | Very low | 149 Ų | 149 | 151.1 Ų | 151.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | -176.8 | 110.8 | 107 | -96.7 | -43.3 | 0 | 0 | 0 | 114.7 | |||||
| 751 | K | 35.7 | Very low | 32.1 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 73% | 0.726 | 77% | 0.773 | S | S | * | * | 45.4 | 134.6 | 119 | -117.8 | 175 | -178.9 | 175.3 | 0 | 121.9 | |||||
| 752 | F | 27.9 | Very low | 32.3 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | trans | 71.3 | 142.2 | 164.7 | -70.6 | -79 | 0 | 0 | 0 | 115.7 | ||||
| 753 | I | 34.3 | Very low | 32.4 | Very low | 152 Ų | 152 | 157.4 Ų | 157.4 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | cis | -129.9 | 145.7 | 18.5 | -67.5 | 174.4 | 0 | 0 | 0 | 111.7 | ||||
| 754 | Q | 29.1 | Very low | 32.5 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | trans | -100.5 | 140.7 | 173.6 | 171 | 178.1 | -4.7 | 0 | 0 | 110.3 | N756 | Q754-N756 PolarHBondContact NE2-OD1 3.39Š| ||
| 755 | F | 30.7 | Very low | 32.6 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | trans | -126.3 | 127.2 | 160.2 | -120.2 | -88.7 | 0 | 0 | 0 | 110.1 | ||||
| 756 | N | 30.5 | Very low | 32.4 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 56% | 0.561 | 77% | 0.774 | S | S | * | * | trans | -83.2 | 178.9 | -179.2 | -56.6 | -57.1 | 0 | 0 | 0 | 109.7 | Q754 | Q754-N756 PolarHBondContact NE2-OD1 3.39Š| ||
| 757 | Q | 32.7 | Very low | 32.2 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | cis | -168.5 | 149.9 | 21.4 | -155 | 160 | -3 | 0 | 0 | 110.6 | ||||
| 758 | P | 33.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -86.2 | 157.6 | 165.2 | 35.4 | -33.2 | 0 | 0 | 0 | 111.7 | ||||
| 759 | F | 29.8 | Very low | 31.5 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | trans | -110.2 | 123.6 | 177.6 | -103.9 | -86.1 | 0 | 0 | 0 | 112.2 | H761 | F759-H761 AromaticContact CE1-NE2 3.77Š| ||
| 760 | D | 28 | Very low | 31.1 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -120.4 | 127.8 | 165.8 | -102 | -40 | 0 | 0 | 0 | 109.4 | ||||
| 761 | H | 34 | Very low | 30.9 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -151 | 143 | 171.8 | -81.4 | -28.2 | 0 | 0 | 0 | 107.8 | F759 | F759-H761 AromaticContact CE1-NE2 3.77Š| ||
| 762 | A | 33.9 | Very low | 30.5 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | cis | -159.9 | 163.6 | -14.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 763 | K | 28.6 | Very low | 30.8 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -79 | 137.5 | 178.1 | -76.1 | 178.5 | 172.8 | 179.1 | 0 | 113.1 | ||||
| 764 | S | 35.5 | Very low | 30.7 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 177.8 | 155 | 144.8 | 53.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 765 | D | 32.5 | Very low | 30.9 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | cis | -152.3 | 156.2 | -35.5 | -102 | -35.6 | 0 | 0 | 0 | 107.8 | ||||
| 766 | E | 30.1 | Very low | 31.2 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 20 | 111.4 | 149.2 | -164.2 | 168 | -135.6 | 0 | 0 | 120.5 | ||||
| 767 | S | 30.3 | Very low | 31.6 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | 178.6 | 137.5 | 119.3 | 40.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 768 | A | 27.4 | Very low | 31.6 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -86 | 133.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 769 | S | 30.6 | Very low | 31.8 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -152 | 100.4 | 159.1 | -84 | 0 | 0 | 0 | 0 | 111.1 | S771 | S769-S771 PolarHBondContact O-N 3.19Š| ||
| 770 | S | 25.2 | Very low | 32.2 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -65.6 | 112.8 | 163.7 | 171.1 | 0 | 0 | 0 | 0 | 109.4 | Y772 | S770-Y772 PolarHBondContact O-OH 3.16Å; S770-Y772 VanDerWaalsContact O-OH 3.08Å | ||
| 771 | S | 28.9 | Very low | 32.6 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 57% | 0.566 | 78% | 0.78 | S | S | * | * | trans | -158.2 | 98.4 | 166.9 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | S769 | S769-S771 PolarHBondContact O-N 3.19Š| ||
| 772 | Y | 27.5 | Very low | 33 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | 39.8 | 161.3 | 130.5 | -9.4 | -65.9 | 0 | 0 | 0 | 121.4 | S770 | S770-Y772 PolarHBondContact O-OH 3.16Å; S770-Y772 VanDerWaalsContact O-OH 3.08Å | ||
| 773 | L | 32.9 | Very low | 33.4 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | 81.1 | 129.6 | 179.1 | -44.8 | 173 | 0 | 0 | 0 | 113.2 | ||||
| 774 | T | 33.4 | Very low | 34 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | cis | -133.6 | 124.8 | 12.8 | 46.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 775 | S | 33.8 | Very low | 34 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 116.2 | 163.9 | 34.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 776 | F | 36.8 | Very low | 34.4 | Very low | 195 Ų | 195 | 131 Ų | 131 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 137.9 | 176.9 | -91.8 | -95 | 0 | 0 | 0 | 111.4 | L778 | F776-L778 PolarHBondContact O-N 2.9Š|
| 777 | S | 37.6 | Very low | 35 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 125.2 | -175 | -172 | 0 | 0 | 0 | 0 | 112.3 | T779 | S777-T779 PolarHBondContact O-N 3.3Š|
| 778 | L | 33 | Very low | 35.3 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -67.4 | 107.7 | 165.3 | -68.5 | 167.5 | 0 | 0 | 0 | 109.3 | F776 | F776-L778 PolarHBondContact O-N 2.9Š| ||
| 779 | T | 37.5 | Very low | 35.6 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | 178.9 | 70.4 | 154.9 | 20 | 0 | 0 | 0 | 0 | 112.7 | S777 | S777-T779 PolarHBondContact O-N 3.3Š| ||
| 780 | S | 38.3 | Very low | 35.7 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -163.3 | -5.6 | 166 | -163.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 781 | L | 36.9 | Very low | 36 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -135.4 | 41 | -160.5 | -120.6 | 165.9 | 0 | 0 | 0 | 114.8 | ||||
| 782 | V | 42.9 | Very low | 36.3 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -109.8 | 6.7 | 177.6 | -179 | 0 | 0 | 0 | 0 | 112.2 | ||
| 783 | S | 42.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -119.1 | 11.8 | -170.2 | -52.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 784 | A | 39.8 | Very low | 36.6 | Very low | 55 Ų | 55 | 132 Ų | 132 | 46% | 0.455 | 77% | 0.773 | S | S | . | * | S | Bend | trans | -124.5 | -4.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 785 | L | 36.6 | Very low | 36.5 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -136.5 | 71.5 | -177.2 | -69.6 | 174.4 | 0 | 0 | 0 | 111.7 | ||||
| 786 | L | 41.5 | Very low | 36.5 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -107.9 | 106.9 | 163.5 | -128.2 | 78.9 | 0 | 0 | 0 | 108.8 | F788 | L786-F788 PolarHBondContact O-N 3.18Š| ||
| 787 | P | 42.8 | Very low | 36.2 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -73.4 | 116 | 158.3 | 0.3 | 17 | 0 | 0 | 0 | 107.3 | T789 | P787-T789 PolarHBondContact O-N 2.83Š| ||
| 788 | F | 35 | Very low | 36 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -63.4 | 106.9 | 173.7 | -76.9 | -94 | 0 | 0 | 0 | 110.3 | L786 T790 | L786-F788 PolarHBondContact O-N 3.18Å; F788-T790 PolarHBondContact O-N 2.96Å | ||
| 789 | T | 34 | Very low | 35.8 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -87.9 | 92.4 | 164.9 | 45.4 | 0 | 0 | 0 | 0 | 109.3 | P787 T791 | P787-T789 PolarHBondContact O-N 2.83Å; T789-T791 PolarHBondContact O-N 3.48Å; T789-T791 VanDerWaalsContact O-N 3.1Å | ||
| 790 | T | 32.4 | Very low | 35.7 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -71.6 | 102.8 | 170.6 | 47.6 | 0 | 0 | 0 | 0 | 110.1 | F788 V792 | F788-T790 PolarHBondContact O-N 2.96Å; T790-V792 PolarHBondContact O-N 2.79Å; T790-V792 VanDerWaalsContact O-N 3.1Å | ||
| 791 | T | 32.3 | Very low | 35.5 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -58.3 | 108.5 | 167.3 | -53 | 0 | 0 | 0 | 0 | 110 | T789 | T789-T791 PolarHBondContact O-N 3.48Å; T789-T791 VanDerWaalsContact O-N 3.1Å | ||
| 792 | V | 34.9 | Very low | 35.7 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | -95.6 | 108.3 | 169.6 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | T790 | T790-V792 PolarHBondContact O-N 2.79Å; T790-V792 VanDerWaalsContact O-N 3.1Å | ||
| 793 | L | 33.1 | Very low | 35.4 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | -72.7 | 134.5 | 174.7 | -160.4 | 76.6 | 0 | 0 | 0 | 109.7 | S795 | L793-S795 PolarHBondContact O-N 3.08Š| ||
| 794 | P | 33.3 | Very low | 34.9 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -79.7 | 88.3 | 177.8 | 31.5 | -33.5 | 0 | 0 | 0 | 110.8 | ||||
| 795 | S | 32.6 | Very low | 34.7 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 124.1 | 169.2 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | L793 V797 | L793-S795 PolarHBondContact O-N 3.08Å; S795-V797 PolarHBondContact O-N 3.47Å |
| 796 | S | 32.7 | Very low | 34.3 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 122.1 | 176.7 | 40.4 | 0 | 0 | 0 | 0 | 113 | S798 | S796-S798 PolarHBondContact O-N 3Š|
| 797 | V | 31.3 | Very low | 34.2 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.5 | 170.3 | -87.5 | 0 | 0 | 0 | 0 | 110.5 | S795 | S795-V797 PolarHBondContact O-N 3.47Š|
| 798 | S | 32.3 | Very low | 33.6 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 131.4 | 166.8 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | S796 | S796-S798 PolarHBondContact O-N 3Š|
| 799 | S | 30.4 | Very low | 33.7 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -93.7 | 101.5 | 171.3 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 800 | F | 33.6 | Very low | 33.7 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | trans | -84.9 | 145.1 | 144.5 | -87.8 | -101.5 | 0 | 0 | 0 | 106.1 | ||||
| 801 | D | 35.8 | Very low | 33.6 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | -179.3 | -174 | 59.3 | -130.2 | -11.3 | 0 | 0 | 0 | 107.1 | |||||
| 802 | P | 41.3 | Very low | 33.9 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 58% | 0.578 | 77% | 0.773 | S | S | * | * | cis | -135.8 | 171.7 | -26.3 | 35 | -17.2 | 0 | 0 | 0 | 114.5 | ||||
| 803 | K | 34.6 | Very low | 33.8 | Very low | 203 Ų | 203 | 136.7 Ų | 136.7 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | 47.8 | 114.3 | 144.7 | -64.9 | 159.3 | -170.5 | 169.6 | 0 | 119.9 | ||||
| 804 | G | 32.6 | Very low | 34 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -173.6 | 84.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 805 | V | 34.7 | Very low | 34.1 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -37.9 | 129.7 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 806 | T | 29.1 | Very low | 34.1 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 4.7 | 130 | 142.4 | -41.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 807 | I | 39.8 | Very low | 34.1 | Very low | 156 Ų | 156 | 141 Ų | 141 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | 179.9 | 135 | 122.6 | -90.1 | 151.4 | 0 | 0 | 0 | 110.5 | |||||
| 808 | N | 29.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | -79 | 151.3 | 177 | -54.6 | -57.5 | 0 | 0 | 0 | 112.2 | ||||
| 809 | N | 36.4 | Very low | 34.4 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | 180 | 124.8 | 143.4 | -93.8 | -35.2 | 0 | 0 | 0 | 110 | ||||
| 810 | K | 35.4 | Very low | 34.5 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | 70.3 | 126.1 | 88.2 | -165.4 | -176.8 | -176.9 | -175.5 | 0 | 111.1 | |||||
| 811 | L | 30.2 | Very low | 34.6 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | cis | 173 | 176 | 9.2 | 174.3 | 66.4 | 0 | 0 | 0 | 106.6 | ||||
| 812 | T | 37.9 | Very low | 34.7 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | 76.7 | 124.5 | 169.7 | 72.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 813 | K | 32.7 | Very low | 34.3 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | cis | 76.2 | 109.5 | 38.7 | -76.9 | -168.3 | 173.3 | 179.9 | 0 | 116.1 | ||||
| 814 | T | 36.7 | Very low | 34.5 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | -176.1 | 124.8 | 120 | 30.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 815 | K | 35.4 | Very low | 34.3 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | 75.8 | 135.8 | 87.7 | -131.8 | -160.5 | 172 | -173.7 | 0 | 112.1 | |||||
| 816 | T | 33.7 | Very low | 34.3 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | cis | -154.5 | 171.4 | 25.4 | -41.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 817 | Q | 33.6 | Very low | 34.4 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -54.6 | 174.3 | 176.1 | -58.3 | 147.9 | -62.3 | 0 | 0 | 114.5 | ||||
| 818 | H | 33.9 | Very low | 33.9 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | cis | -171.6 | 147.2 | 38.7 | -141.9 | -70.9 | 0 | 0 | 0 | 113.4 | ||||
| 819 | G | 34.6 | Very low | 34 | Very low | 68 Ų | 68 | 144.7 Ų | 144.7 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | 59.9 | 162.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 820 | E | 33.9 | Very low | 33.7 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | cis | -165.7 | 159.7 | -19.1 | -161.1 | 161.8 | -145 | 0 | 0 | 109.6 | ||||
| 821 | S | 35 | Very low | 33.4 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | 69.3 | 108.2 | 158.3 | -87.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 822 | T | 37.2 | Very low | 33.4 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | 83.5 | 123.5 | 120.1 | 56.7 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 823 | H | 34 | Very low | 32.9 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | 98.5 | 116.3 | 131.1 | -84.8 | -55.7 | 0 | 0 | 0 | 123.3 | ||||
| 824 | I | 37.9 | Very low | 32.7 | Very low | 140 Ų | 140 | 134 Ų | 134 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | 78.9 | 98.7 | 141.1 | -60.3 | 166.8 | 0 | 0 | 0 | 116.1 | ||||
| 825 | R | 29.2 | Very low | 32.3 | Very low | 235 Ų | 235 | 132.1 Ų | 132.1 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | 76.2 | 127 | 89.6 | -163.4 | 178.4 | -157.6 | -147.8 | 7.4 | 111.8 | |||||
| 826 | S | 34.3 | Very low | 32.2 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | cis | -163.2 | 156.1 | 16.1 | 28.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 827 | K | 31.2 | Very low | 32.2 | Very low | 197 Ų | 197 | 129.7 Ų | 129.7 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | 30 | 137.1 | 136.9 | -63.2 | -176.2 | 176.3 | -173.2 | 0 | 119.4 | ||||
| 828 | C | 29.2 | Very low | 32.2 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | cis | -156.9 | 169.3 | 7.1 | -100 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 829 | P | 32.9 | Very low | 32.4 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | trans | -106.8 | 166.1 | -173.5 | 40.6 | -34.5 | 0 | 0 | 0 | 116.4 | ||||
| 830 | S | 29.5 | Very low | 32.3 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | 62.5 | 121.9 | 141.1 | 62.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 831 | S | 29.5 | Very low | 32.5 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | 77.7 | 112.5 | 125.7 | 67.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 832 | S | 28.7 | Very low | 32.5 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | 76.3 | 135.9 | 121.5 | 68 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 833 | S | 28.5 | Very low | 32.6 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 87.4 | 94.5 | 143.5 | -165.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 834 | T | 27.8 | Very low | 32.8 | Very low | 136 Ų | 136 | 128 Ų | 128 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | 45.9 | 109.8 | 119.1 | -44.4 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 835 | A | 28.4 | Very low | 32.8 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -169.7 | 151.2 | 133.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 836 | A | 33.9 | Very low | 33.1 | Very low | 88 Ų | 88 | 121.7 Ų | 121.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 60.2 | 103.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 837 | T | 32.2 | Very low | 33.2 | Very low | 147 Ų | 147 | 125 Ų | 125 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | 33.6 | 123.5 | 125.9 | 54 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 838 | G | 34 | Very low | 33.5 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -149.3 | 149.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 839 | L | 37.9 | Very low | 33.6 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -96.1 | 164.2 | -161.6 | -76 | 160.8 | 0 | 0 | 0 | 116.1 | ||||
| 840 | Q | 34 | Very low | 33.7 | Very low | 176 Ų | 176 | 129 Ų | 129 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 82.3 | 131.5 | 143.4 | -127.5 | 66.2 | 13.1 | 0 | 0 | 122.6 | ||||
| 841 | G | 36.4 | Very low | 33.8 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | 104.8 | 141.4 | 161 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 842 | L | 36.2 | Very low | 34.2 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | cis | -168.7 | 140.7 | -8.9 | -158.4 | 77.2 | 0 | 0 | 0 | 106.7 | ||||
| 843 | L | 38.3 | Very low | 34.4 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 38.3 | 136.8 | 154.8 | -61.4 | 166.1 | 0 | 0 | 0 | 119.4 | ||||
| 844 | D | 37.8 | Very low | 34.8 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | 175.9 | 174.2 | 42.4 | -140.1 | -23 | 0 | 0 | 0 | 112.3 | ||||
| 845 | V | 38.9 | Very low | 35.2 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 62% | 0.618 | 79% | 0.785 | S | S | * | * | trans | 65.8 | 109.4 | 149.2 | 172 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 846 | N | 35.4 | Very low | 35.4 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | 41 | 140 | 128.9 | -43.6 | -32.1 | 0 | 0 | 0 | 119.9 | |||||
| 847 | K | 37.4 | Very low | 35.5 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | cis | -177 | 145.6 | 45 | -165.8 | 149.6 | 174.4 | 169.2 | 0 | 112.2 | ||||
| 848 | E | 36.4 | Very low | 35.7 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | 30.5 | 129.8 | 153.2 | -66.9 | 158.7 | -179.8 | 0 | 0 | 122.6 | ||||
| 849 | Y | 30.7 | Very low | 35.6 | Very low | 233 Ų | 233 | 149.3 Ų | 149.3 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | trans | -57.2 | 139.8 | 151.5 | -74.4 | -107.8 | 0 | 0 | 0 | 111.4 | ||||
| 850 | S | 36.2 | Very low | 35.4 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -155.6 | 128.1 | 148.6 | -80.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 851 | D | 32.2 | Very low | 35.5 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -62.4 | 152.2 | 170.1 | -67.2 | -66.8 | 0 | 0 | 0 | 111.5 | ||||
| 852 | S | 36.5 | Very low | 35.6 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | 167.4 | 119.6 | 113.6 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 853 | S | 32.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -95.3 | 115.3 | 162.7 | -67.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 854 | K | 38.9 | Very low | 35.4 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | 178.1 | 149.9 | 147.3 | -96.8 | 145.8 | -168.1 | 176.7 | 0 | 112.3 | ||||
| 855 | S | 36.1 | Very low | 35.1 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 48.5 | 110.1 | 168.2 | 54.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 856 | L | 31.1 | Very low | 35.3 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | cis | 49.6 | 85.8 | 47.4 | -152 | 170.8 | 0 | 0 | 0 | 111.6 | ||||
| 857 | L | 37.8 | Very low | 35.1 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -177.8 | 146.6 | 131.7 | -93.4 | 171.7 | 0 | 0 | 0 | 110.7 | ||||
| 858 | H | 35.3 | Very low | 35.2 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -42.3 | 148.2 | 175.6 | -46.9 | -94.9 | 0 | 0 | 0 | 113.9 | ||||
| 859 | R | 32.6 | Very low | 35 | Very low | 228 Ų | 228 | 150.6 Ų | 150.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | -178.9 | 137.8 | 70.4 | -130 | 178.2 | 176.4 | -167.8 | -2.6 | 113.1 | |||||
| 860 | T | 33.9 | Very low | 35.2 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | 43.5 | 111.2 | 140.2 | 56.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 861 | S | 34.7 | Very low | 35.2 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | 82.6 | 148.2 | 116.2 | -53.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 862 | T | 39.1 | Very low | 35.4 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 89.5 | 109.3 | 171 | 71.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 863 | S | 31.4 | Very low | 35.7 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | cis | 95.2 | 112.3 | 36.6 | -171.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 864 | K | 38.9 | Very low | 35.7 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | 156.8 | 105.7 | 157.9 | -89.9 | 160.6 | -175.8 | 180 | 0 | 106.3 | ||||
| 865 | S | 31.7 | Very low | 35.6 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | 56.1 | 114.7 | 55.6 | -174.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 866 | I | 42.5 | Very low | 35.6 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | trans | -161 | 119.7 | 137.3 | -93.9 | 147 | 0 | 0 | 0 | 107.3 | ||||
| 867 | D | 32.6 | Very low | 35.8 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 160.6 | 169.9 | -67.1 | -73.1 | 0 | 0 | 0 | 112 | ||||
| 868 | R | 38 | Very low | 35.8 | Very low | 250 Ų | 250 | 138.1 Ų | 138.1 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | -160.3 | 115.8 | 127.4 | -109.5 | 163.5 | -164.5 | -148.5 | 2.2 | 113.4 | |||||
| 869 | S | 33 | Very low | 35.9 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -71.6 | 160.2 | 167 | 43.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 870 | A | 34.3 | Very low | 36.3 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | 159.1 | 161 | 106.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 871 | L | 36.8 | Very low | 36.4 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | 83.8 | 93 | 159.2 | -53.5 | 176.6 | 0 | 0 | 0 | 120.3 | ||||
| 872 | S | 35 | Very low | 36.3 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -75.7 | -176.3 | 137.3 | -138 | 0 | 0 | 0 | 0 | 109 | ||||
| 873 | P | 44.2 | Very low | 36.3 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -152.2 | -174.2 | 23 | 46.7 | -25.2 | 0 | 0 | 0 | 118.9 | ||||
| 874 | N | 31.1 | Very low | 36.7 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 67.4 | 119.6 | 139.9 | -147 | 13.1 | 0 | 0 | 0 | 122 | ||||
| 875 | S | 37 | Very low | 36.7 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | 169.4 | 136 | 103.9 | 50.9 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 876 | N | 37.1 | Very low | 37.4 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 62.7 | 117.3 | 146.2 | -56.8 | -16.2 | 0 | 0 | 0 | 122.4 | ||||
| 877 | A | 35.3 | Very low | 37.6 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -80 | 175 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 878 | P | 37.8 | Very low | 38.1 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | -143.6 | 157.2 | 82.7 | 36.8 | -19.7 | 0 | 0 | 0 | 117 | |||||
| 879 | N | 37.7 | Very low | 38.8 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -82.7 | -171.1 | 166.3 | -71.1 | -29.5 | 0 | 0 | 0 | 110.9 | ||||
| 880 | P | 41.4 | Very low | 39.3 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | -131.8 | 163.1 | -61.2 | 37.7 | -23.5 | 0 | 0 | 0 | 112.5 | |||||
| 881 | I | 34.5 | Very low | 39.4 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -135.1 | 131.5 | 158 | -62.2 | -176.5 | 0 | 0 | 0 | 109.6 | ||||
| 882 | A | 32.8 | Very low | 39.5 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -100.7 | 139.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 883 | L | 39.2 | Very low | 39.6 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -147.4 | 156.3 | 156.8 | -96.8 | 119.1 | 0 | 0 | 0 | 110.3 | ||||
| 884 | P | 39 | Very low | 39.7 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 160.2 | -147.2 | 37.6 | -35.7 | 0 | 0 | 0 | 116.5 | ||
| 885 | N | 39 | Very low | 40 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 134.4 | 176.9 | -166.3 | 30.2 | 0 | 0 | 0 | 112.6 | ||
| 886 | P | 47.7 | Very low | 39.9 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 137.7 | 177.6 | 30.4 | -34.3 | 0 | 0 | 0 | 112.9 | ||
| 887 | Q | 46 | Very low | 39.8 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -81 | 149.6 | 174 | -72.7 | -177.7 | -53.1 | 0 | 0 | 112.4 | ||
| 888 | P | 42.8 | Very low | 39.5 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 149.7 | 161.7 | 32.5 | -33.6 | 0 | 0 | 0 | 111.2 | ||
| 889 | P | 53.2 | Low | 39.4 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 145.5 | -169.5 | 29.4 | -35.4 | 0 | 0 | 0 | 114.9 | ||
| 890 | T | 42.7 | Very low | 39.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 135.8 | -176.4 | -49.2 | 0 | 0 | 0 | 0 | 113.3 | I892 | T890-I892 PolarHBondContact O-N 3.33Š|
| 891 | L | 36.5 | Very low | 39 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.8 | 167.5 | -73.2 | 168.7 | 0 | 0 | 0 | 111.3 | ||
| 892 | I | 39.9 | Very low | 39.1 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 116.1 | 174.1 | -62.9 | 174.4 | 0 | 0 | 0 | 109.4 | T890 | T890-I892 PolarHBondContact O-N 3.33Š|
| 893 | S | 36 | Very low | 39.2 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 133.3 | 165.3 | -58.9 | 0 | 0 | 0 | 0 | 110.1 | S895 | S893-S895 PolarHBondContact O-N 2.94Š|
| 894 | P | 48.2 | Very low | 39.1 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -74.2 | 113.4 | 172.3 | 29.4 | -31.7 | 0 | 0 | 0 | 110 | ||||
| 895 | S | 36.3 | Very low | 39 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 139.9 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | S893 | S893-S895 PolarHBondContact O-N 2.94Š| ||
| 896 | V | 34.6 | Very low | 38.9 | Very low | 120 Ų | 120 | 143 Ų | 143 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -54.4 | 135.9 | 167.4 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 897 | N | 36.3 | Very low | 38.5 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -132.5 | 122.8 | 156.9 | -99.3 | -28.1 | 0 | 0 | 0 | 110.3 | ||||
| 898 | R | 28.5 | Very low | 38.1 | Very low | 232 Ų | 232 | 144.1 Ų | 144.1 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -86.2 | 122.2 | 175.2 | -82.4 | 176.2 | 159.6 | -159.6 | -1.7 | 110.6 | ||||
| 899 | T | 35.1 | Very low | 37.6 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 176.4 | 148 | 141.4 | 25.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 900 | T | 36.4 | Very low | 37 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | cis | -149 | 162.9 | 8.6 | -5.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 901 | I | 34.8 | Very low | 36.7 | Very low | 152 Ų | 152 | 143 Ų | 143 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -85.6 | 129.8 | 179.9 | -64.3 | 157.2 | 0 | 0 | 0 | 110.9 | ||||
| 902 | S | 35.9 | Very low | 36.8 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -162.8 | 136.8 | 145.8 | 49 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 903 | H | 34.5 | Very low | 36.9 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -52.7 | 151.8 | 178.4 | -47.2 | -85.3 | 0 | 0 | 0 | 113.3 | ||||
| 904 | S | 37.3 | Very low | 37.1 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | -173.9 | 130.8 | 71.1 | -64.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 905 | R | 37.8 | Very low | 36.7 | Very low | 218 Ų | 218 | 143 Ų | 143 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | trans | 56.5 | 123 | 133 | -154 | -174.9 | -156 | -154 | 6.7 | 121.8 | V907 | R905-V907 HydrophobicContact CG-CG2 4Š| ||
| 906 | P | 37.1 | Very low | 37.1 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -101.6 | 144.1 | 145.9 | 34.4 | -27.8 | 0 | 0 | 0 | 112.4 | ||||
| 907 | V | 39 | Very low | 37.4 | Very low | 100 Ų | 100 | 145 Ų | 145 | 61% | 0.606 | 76% | 0.763 | S | S | * | * | trans | -119.7 | 110.7 | 173.5 | 178.6 | 0 | 0 | 0 | 0 | 105.8 | R905 | R905-V907 HydrophobicContact CG-CG2 4Š| ||
| 908 | R | 36.3 | Very low | 37.7 | Very low | 217 Ų | 217 | 145.9 Ų | 145.9 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | 72.4 | 126 | 75.6 | -144.4 | -156.6 | -177.2 | 100.6 | 0.6 | 114.2 | |||||
| 909 | T | 34.1 | Very low | 38.3 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | 63.4 | 149.9 | 170.8 | 59.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 910 | S | 39.7 | Very low | 38.4 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | cis | -163.3 | 173.8 | 16.7 | -9.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 911 | N | 36.7 | Very low | 38.5 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | cis | -169.5 | 149.6 | -7.2 | -117 | 11.4 | 0 | 0 | 0 | 109.6 | ||||
| 912 | L | 39.2 | Very low | 38.7 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | 65.4 | 158.7 | 151.6 | -57 | 165.7 | 0 | 0 | 0 | 117.1 | ||||
| 913 | T | 42.1 | Very low | 39.4 | Very low | 101 Ų | 101 | 137 Ų | 137 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | cis | -159.4 | 150.9 | 14.3 | -18.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 914 | E | 38.8 | Very low | 39.3 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 64.6 | 147.6 | 144.3 | -106.9 | 152.7 | -158.4 | 0 | 0 | 118.3 | ||||
| 915 | I | 41.1 | Very low | 39.5 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | -151.7 | 135.6 | 32.3 | -63.6 | 172.8 | 0 | 0 | 0 | 109 | ||||
| 916 | T | 43.1 | Very low | 39.4 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | trans | 24.7 | 163.8 | 153.9 | 68.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 917 | E | 42.6 | Very low | 39.4 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | cis | -159.9 | 157.6 | -7.5 | -108.7 | 144.4 | -149.3 | 0 | 0 | 103.1 | ||||
| 918 | E | 42 | Very low | 39.4 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | cis | -163.9 | 165.8 | 37.6 | -146 | 179.2 | -174.3 | 0 | 0 | 110.3 | ||||
| 919 | S | 39.8 | Very low | 39.5 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -67 | 161.4 | -179.2 | 69.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 920 | S | 37.6 | Very low | 39.6 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | -173.8 | 166.3 | 59.8 | -95.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 921 | S | 39.5 | Very low | 39.4 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 173.7 | -168 | -46.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 922 | P | 38 | Very low | 39.2 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 162 | -171.4 | 37.1 | -34.8 | 0 | 0 | 0 | 114.8 | ||
| 923 | P | 51.8 | Low | 39.1 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 154.7 | -176.6 | 35.5 | -34.8 | 0 | 0 | 0 | 115.3 | ||
| 924 | K | 32.5 | Very low | 38.6 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -108.6 | 145.2 | 169.4 | -68.2 | 175.8 | 174 | 179 | 0 | 111.4 | ||||
| 925 | S | 40.8 | Very low | 38.2 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 163.1 | 130.7 | 144.8 | 48.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 926 | E | 36.2 | Very low | 37.8 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | cis | 86.3 | 136.5 | 29.9 | -161.8 | 167.7 | -157.3 | 0 | 0 | 115 | ||||
| 927 | N | 36.4 | Very low | 37.2 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | 73.6 | 129 | -164.6 | -59.7 | -38 | 0 | 0 | 0 | 115 | ||||
| 928 | G | 38.3 | Very low | 36.8 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | cis | -174.3 | 178 | -5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 929 | Q | 38.6 | Very low | 36.6 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | cis | -152.1 | 155.1 | 5.7 | -78.4 | -176 | -20.7 | 0 | 0 | 109.4 | ||||
| 930 | K | 36.7 | Very low | 36.2 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 73% | 0.726 | 76% | 0.758 | S | S | * | * | trans | 49.9 | 105 | 142.3 | -64.9 | 170.9 | -176.6 | 176.5 | 0 | 118.1 | ||||
| 931 | S | 35.7 | Very low | 35.9 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | 96.6 | 153.8 | 91.6 | 80.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 932 | L | 33.3 | Very low | 35.5 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | cis | -159.4 | 151.6 | 12.7 | -160.8 | 79.5 | 0 | 0 | 0 | 108.6 | ||||
| 933 | I | 36.5 | Very low | 35.2 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 67% | 0.672 | 75% | 0.747 | S | S | * | * | trans | 62.8 | 106.8 | 146.6 | -86.8 | 171.3 | 0 | 0 | 0 | 118.2 | ||||
| 934 | Y | 30.9 | Very low | 34.2 | Very low | 204 Ų | 204 | 144.3 Ų | 144.3 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | 78.4 | 111.3 | 91.9 | -96.8 | -121.2 | 0 | 0 | 0 | 111.5 | |||||
| 935 | S | 31 | Very low | 34.2 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | 77.1 | 116.3 | 85.9 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 936 | E | 31.7 | Very low | 34.1 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | 167.8 | 142.4 | 117.3 | -98.6 | -165.5 | 106 | 0 | 0 | 111.7 | |||||
| 937 | N | 31.3 | Very low | 34.1 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 60% | 0.599 | 73% | 0.727 | S | S | * | * | trans | 67.9 | 150.9 | 142.8 | -64.8 | -23.9 | 0 | 0 | 0 | 118.1 | ||||
| 938 | Q | 34.3 | Very low | 34.3 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 58% | 0.579 | 72% | 0.722 | S | S | * | * | cis | -162.2 | 162.7 | 3.8 | -125.3 | 166 | 64.2 | 0 | 0 | 109.3 | ||||
| 939 | K | 38.2 | Very low | 34.4 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 73% | 0.726 | 72% | 0.722 | S | S | * | * | trans | 51 | 121.1 | 142.9 | -73.5 | 165.2 | -169.9 | 164.4 | 0 | 118.8 | ||||
| 940 | Q | 30 | Very low | 34.7 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | cis | 58.7 | 121.4 | 36.3 | -151.2 | 177.6 | 7.2 | 0 | 0 | 114.6 | ||||
| 941 | S | 32.8 | Very low | 34.9 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | 77 | 87.7 | 166.5 | -53.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 942 | R | 30.7 | Very low | 35.2 | Very low | 210 Ų | 210 | 139.4 Ų | 139.4 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | -151.1 | 106.9 | 127.8 | -151.6 | 171.9 | 179.3 | 167.1 | 1.4 | 106.3 | E944 | R942-E944 IonicContact NE-OE2 3.47Å; R942-E944 PolarHBondContact NE-OE2 3.04Å; R942-E944 IonicContact NH2-OE2 3.73Å | |||
| 943 | S | 31.4 | Very low | 35.5 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | cis | 72.2 | 63.6 | 35.9 | -44.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 944 | E | 31.5 | Very low | 35.9 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | trans | 176.9 | 142.3 | 160.2 | -95 | 139.5 | -166.7 | 0 | 0 | 103.7 | R942 | R942-E944 IonicContact NE-OE2 3.47Å; R942-E944 PolarHBondContact NE-OE2 3.04Å; R942-E944 IonicContact NH2-OE2 3.73Å | ||
| 945 | E | 32.8 | Very low | 36.5 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | cis | -155 | 129.5 | 13.7 | -158.2 | 172.5 | 152.1 | 0 | 0 | 109.9 | ||||
| 946 | V | 37.7 | Very low | 36.9 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | -91.7 | 108.7 | 166 | 170.3 | 0 | 0 | 0 | 0 | 107.4 | V948 | V946-V948 HydrophobicContact CG1-CG2 4.46Å; V946-V948 PolarHBondContact O-N 3.21Å; V946-V948 VanDerWaalsContact O-N 3.09Å | ||
| 947 | V | 37.2 | Very low | 37.3 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | trans | -73.5 | 100.2 | 177.7 | 177.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 948 | V | 39.8 | Very low | 37.6 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | -132.4 | 115.4 | 153 | -179 | 0 | 0 | 0 | 0 | 108.6 | V946 | V946-V948 HydrophobicContact CG1-CG2 4.46Å; V946-V948 PolarHBondContact O-N 3.21Å; V946-V948 VanDerWaalsContact O-N 3.09Å | ||
| 949 | V | 41 | Very low | 37.8 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -120.1 | 142.2 | 175.1 | 163.5 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 950 | P | 44 | Very low | 37.7 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | -135.9 | 165.4 | 37.7 | 18.3 | 8.3 | 0 | 0 | 0 | 118.5 | ||||
| 951 | E | 40.6 | Very low | 38.2 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | 26 | 145.3 | 129.9 | -52.8 | -153.2 | 138.8 | 0 | 0 | 121 | |||||
| 952 | K | 41.7 | Very low | 38.5 | Very low | 152 Ų | 152 | 146 Ų | 146 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | cis | -163.8 | 141.3 | 6.8 | -126.6 | 166.6 | -169.5 | 145.1 | 0 | 111.5 | ||||
| 953 | S | 41.2 | Very low | 39.1 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 56.4 | 122.5 | 139.7 | 68.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 954 | K | 45.2 | Very low | 39.6 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | trans | 89.7 | 110.8 | 132.4 | -70.8 | 167 | -176.9 | 178.7 | 0 | 120.9 | ||||
| 955 | N | 41.6 | Very low | 40.2 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 71.3 | 111.5 | 130.4 | -70.5 | 12.1 | 0 | 0 | 0 | 121.4 | ||||
| 956 | S | 41 | Very low | 40.9 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | 68 | 84.7 | 121.5 | -177.5 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 957 | K | 39.3 | Very low | 41.1 | Very low | 279 Ų | 279 | 144.4 Ų | 144.4 | 100% | 1.213 | 77% | 0.772 | S | S | * | * | -159.7 | 0 | 105.6 | -115.3 | 175.7 | -179.8 | 178.8 | 0 | 111.6 |
Retrieved 957 of 957 residues in 298.6 ms
(Link to these results)