| 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 | 68.5 | Low | 86.9 | Confident | 174 Ų | 174 | 117.9 Ų | 117.9 | 86% | 0.857 | 57% | 0.566 | S | S | * | * | 0 | -42.5 | 0 | -76.5 | -63.4 | -90.4 | 0 | 0 | 112.2 | V3 L4 R5 | M1-V3 PolarHBondContact O-N 3.42Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-R5 PolarHBondContact O-N 3.14Å; M1-R5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | D | 81.5 | Confident | 87.5 | Confident | 129 Ų | 129 | 120.1 Ų | 120.1 | 69% | 0.69 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.2 | -36.9 | -177 | -62.1 | -32.3 | 0 | 0 | 0 | 114.9 | L4 R5 K6 | D2-L4 PolarHBondContact O-N 3.44Å; D2-R5 PolarHBondContact O-N 2.89Å; D2-K6 PolarHBondContact O-N 3.21Å |
| 3 | V | 83.6 | Confident | 88 | Confident | 126 Ų | 126 | 120.9 Ų | 120.9 | 76% | 0.764 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.6 | -44 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | M1 R5 K6 R7 | M1-V3 PolarHBondContact O-N 3.42Å; V3-R5 VanDerWaalsContact C-N 3.34Å; V3-K6 PolarHBondContact O-N 3.46Å; V3-R7 WeakPolarHBondContact O-CB 3.32Å; V3-R7 PolarHBondContact O-N 2.91Å |
| 4 | L | 85.2 | Confident | 88.5 | Confident | 126 Ų | 126 | 119.1 Ų | 119.1 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.5 | -38.7 | 176.9 | -70 | 172.2 | 0 | 0 | 0 | 111.5 | M1 D2 R7 L8 | M1-L4 PolarHBondContact O-N 3.31Å; D2-L4 PolarHBondContact O-N 3.44Å; L4-R7 PolarHBondContact O-N 3Å; L4-L8 VanDerWaalsContact O-CB 3.32Å; L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 PolarHBondContact O-N 3.46Å |
| 5 | R | 87 | Confident | 88.9 | Confident | 161 Ų | 161 | 117 Ų | 117 | 61% | 0.608 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.5 | -41.5 | 179.2 | -157.3 | -175.1 | -69.3 | -125.8 | 2.9 | 111.6 | M1 D2 V3 L8 N9 | M1-R5 PolarHBondContact O-N 3.14Å; M1-R5 VanDerWaalsContact O-N 3.14Å; D2-R5 PolarHBondContact O-N 2.89Å; V3-R5 VanDerWaalsContact C-N 3.34Å; R5-L8 PolarHBondContact O-N 3.07Å; R5-N9 PolarHBondContact O-N 3.44Å |
| 6 | K | 89.7 | Confident | 89.3 | Confident | 143 Ų | 143 | 116.3 Ų | 116.3 | 62% | 0.622 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.3 | -46.7 | 174.3 | -167.1 | -178.3 | 177 | -174 | 0 | 111.2 | D2 V3 L8 N9 E10 | D2-K6 PolarHBondContact O-N 3.21Å; V3-K6 PolarHBondContact O-N 3.46Å; K6-L8 VanDerWaalsContact C-N 3.31Å; K6-L8 PolarHBondContact O-N 3.04Å; K6-N9 PolarHBondContact O-N 3.39Å; K6-N9 VanDerWaalsContact O-N 3.14Å; K6-E10 WeakPolarHBondContact O-CG 3.26Å; K6-E10 PolarHBondContact O-N 2.89Å |
| 7 | R | 90.4 | Very high | 89.7 | Confident | 106 Ų | 106 | 115.6 Ų | 115.6 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -36.1 | 178 | -170.1 | 59.1 | 178 | 165.7 | 7.4 | 112.9 | V3 L4 E10 F11 | V3-R7 WeakPolarHBondContact O-CB 3.32Å; V3-R7 PolarHBondContact O-N 2.91Å; L4-R7 PolarHBondContact O-N 3Å; R7-E10 VanDerWaalsContact CD-OE2 3.29Å; R7-E10 WeakPolarHBondContact CD-OE2 3.29Å; R7-E10 IonicContact CZ-OE2 3.84Å; R7-E10 IonicContact NH1-OE2 3.82Å; R7-E10 PolarHBondContact NH1-OE2 3.41Å; R7-E10 PolarHBondContact O-N 3.46Å; R7-F11 HydrophobicContact CG-CD2 3.99Å; R7-F11 HydrophobicContact CG-CE2 3.65Å; R7-F11 HydrophobicContact CG-CZ 4.23Å; R7-F11 VanDerWaalsContact NE-CZ 3.35Å; R7-F11 VanDerWaalsContact NH2-CE1 3.31Å; R7-F11 WeakPolarHBondContact O-CB 3.41Å; R7-F11 VanDerWaalsContact O-CD2 3.26Å; R7-F11 WeakPolarHBondContact O-CD2 3.48Å; R7-F11 WeakPolarHBondContact O-CG 3.46Å; R7-F11 PolarHBondContact O-N 2.93Å |
| 8 | L | 92.1 | Very high | 90 | Very high | 90 Ų | 90 | 115.1 Ų | 115.1 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.5 | -38.3 | 174.1 | -174.5 | 67.6 | 0 | 0 | 0 | 112 | L4 R5 K6 R12 | L4-L8 VanDerWaalsContact O-CB 3.32Å; L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 PolarHBondContact O-N 3.46Å; R5-L8 PolarHBondContact O-N 3.07Å; K6-L8 VanDerWaalsContact C-N 3.31Å; K6-L8 PolarHBondContact O-N 3.04Å; L8-R12 WeakPolarHBondContact O-CG 3.49Å; L8-R12 PolarHBondContact O-N 3.14Å |
| 9 | N | 90.9 | Very high | 90.4 | Very high | 80 Ų | 80 | 117.3 Ų | 117.3 | 43% | 0.428 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.1 | -43.9 | 174 | -75.9 | -2.9 | 0 | 0 | 0 | 111.7 | R5 K6 F11 R12 E13 | R5-N9 PolarHBondContact O-N 3.44Å; K6-N9 PolarHBondContact O-N 3.39Å; K6-N9 VanDerWaalsContact O-N 3.14Å; N9-F11 VanDerWaalsContact C-N 3.31Å; N9-F11 PolarHBondContact O-N 3.07Å; N9-R12 WeakPolarHBondContact O-CB 3.36Å; N9-R12 PolarHBondContact O-N 3.4Å; N9-R12 VanDerWaalsContact O-N 3.07Å; N9-E13 PolarHBondContact O-N 2.91Å |
| 10 | E | 92.7 | Very high | 90.7 | Very high | 61 Ų | 61 | 113 Ų | 113 | 29% | 0.285 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.6 | -45.2 | 173.4 | -72 | 168.4 | -168.2 | 0 | 0 | 111 | K6 R7 R12 E13 E14 | K6-E10 WeakPolarHBondContact O-CG 3.26Å; K6-E10 PolarHBondContact O-N 2.89Å; R7-E10 VanDerWaalsContact CD-OE2 3.29Å; R7-E10 WeakPolarHBondContact CD-OE2 3.29Å; R7-E10 IonicContact CZ-OE2 3.84Å; R7-E10 IonicContact NH1-OE2 3.82Å; R7-E10 PolarHBondContact NH1-OE2 3.41Å; R7-E10 PolarHBondContact O-N 3.46Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 2.86Å; E10-E13 PolarHBondContact O-N 3.47Å; E10-E14 WeakPolarHBondContact O-CB 3.5Å; E10-E14 WeakPolarHBondContact O-CG 3.3Å; E10-E14 PolarHBondContact O-N 3.24Å |
| 11 | F | 94.2 | Very high | 90.9 | Very high | 101 Ų | 101 | 113.4 Ų | 113.4 | 44% | 0.443 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -31.9 | 175.8 | -75.9 | -41.4 | 0 | 0 | 0 | 113.6 | R7 N9 E15 | R7-F11 HydrophobicContact CG-CD2 3.99Å; R7-F11 HydrophobicContact CG-CE2 3.65Å; R7-F11 HydrophobicContact CG-CZ 4.23Å; R7-F11 VanDerWaalsContact NE-CZ 3.35Å; R7-F11 VanDerWaalsContact NH2-CE1 3.31Å; R7-F11 WeakPolarHBondContact O-CB 3.41Å; R7-F11 VanDerWaalsContact O-CD2 3.26Å; R7-F11 WeakPolarHBondContact O-CD2 3.48Å; R7-F11 WeakPolarHBondContact O-CG 3.46Å; R7-F11 PolarHBondContact O-N 2.93Å; N9-F11 VanDerWaalsContact C-N 3.31Å; N9-F11 PolarHBondContact O-N 3.07Å; F11-E15 VanDerWaalsContact O-CB 3.3Å; F11-E15 WeakPolarHBondContact O-CB 3.38Å; F11-E15 PolarHBondContact O-N 2.91Å |
| 12 | R | 93.8 | Very high | 92.3 | Very high | 144 Ų | 144 | 108.7 Ų | 108.7 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 174.2 | -77.4 | 175.5 | 175 | -166.4 | -3.3 | 111.9 | L8 N9 E10 E15 D16 | L8-R12 WeakPolarHBondContact O-CG 3.49Å; L8-R12 PolarHBondContact O-N 3.14Å; N9-R12 WeakPolarHBondContact O-CB 3.36Å; N9-R12 PolarHBondContact O-N 3.4Å; N9-R12 VanDerWaalsContact O-N 3.07Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 2.86Å; R12-E15 WeakPolarHBondContact O-CB 3.45Å; R12-E15 PolarHBondContact O-N 2.87Å; R12-D16 PolarHBondContact O-N 2.91Å |
| 13 | E | 93.8 | Very high | 93 | Very high | 131 Ų | 131 | 105.5 Ų | 105.5 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 174.2 | -72.1 | 173.5 | -174.2 | 0 | 0 | 110.7 | N9 E10 E15 D16 D17 | N9-E13 PolarHBondContact O-N 2.91Å; E10-E13 PolarHBondContact O-N 3.47Å; E13-E15 VanDerWaalsContact C-N 3.35Å; E13-E15 PolarHBondContact O-N 3.31Å; E13-D16 PolarHBondContact O-N 3.36Å; E13-D17 WeakPolarHBondContact O-CB 3.42Å; E13-D17 PolarHBondContact O-N 2.88Å |
| 14 | E | 95.2 | Very high | 93.6 | Very high | 95 Ų | 95 | 104.2 Ų | 104.2 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 173.1 | -74.5 | 175.6 | -164.8 | 0 | 0 | 112.1 | E10 L18 | E10-E14 WeakPolarHBondContact O-CB 3.5Å; E10-E14 WeakPolarHBondContact O-CG 3.3Å; E10-E14 PolarHBondContact O-N 3.24Å; E14-L18 WeakPolarHBondContact O-CB 3.24Å; E14-L18 WeakPolarHBondContact O-CG 3.2Å; E14-L18 PolarHBondContact O-N 2.86Å |
| 15 | E | 95.6 | Very high | 94.2 | Very high | 88 Ų | 88 | 102.5 Ų | 102.5 | 41% | 0.411 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 175.9 | -171 | -167.9 | 166.4 | 0 | 0 | 111.7 | F11 R12 E13 L18 R19 | F11-E15 VanDerWaalsContact O-CB 3.3Å; F11-E15 WeakPolarHBondContact O-CB 3.38Å; F11-E15 PolarHBondContact O-N 2.91Å; R12-E15 WeakPolarHBondContact O-CB 3.45Å; R12-E15 PolarHBondContact O-N 2.87Å; E13-E15 VanDerWaalsContact C-N 3.35Å; E13-E15 PolarHBondContact O-N 3.31Å; E15-L18 PolarHBondContact O-N 3.32Å; E15-R19 WeakPolarHBondContact O-CB 3.27Å; E15-R19 VanDerWaalsContact O-CG 3.27Å; E15-R19 WeakPolarHBondContact O-CG 3.43Å; E15-R19 PolarHBondContact O-N 2.75Å; E15-R19 IonicContact OE1-CZ 3.82Å; E15-R19 VanDerWaalsContact OE1-CZ 3.27Å; E15-R19 IonicContact OE1-NE 3.27Å; E15-R19 PolarHBondContact OE1-NE 2.88Å; E15-R19 IonicContact OE1-NH2 2.86Å; E15-R19 PolarHBondContact OE1-NH2 3.31Å |
| 16 | D | 95.3 | Very high | 94.7 | Very high | 106 Ų | 106 | 100.5 Ų | 100.5 | 57% | 0.567 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.2 | -41.2 | 178.9 | -74.9 | -22.8 | 0 | 0 | 0 | 111.4 | R12 E13 R19 G20 | R12-D16 PolarHBondContact O-N 2.91Å; E13-D16 PolarHBondContact O-N 3.36Å; D16-R19 PolarHBondContact O-N 2.97Å; D16-G20 PolarHBondContact O-N 2.97Å |
| 17 | D | 95.5 | Very high | 95 | Very high | 105 Ų | 105 | 97.1 Ų | 97.1 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 173.5 | -88.5 | -0.6 | 0 | 0 | 0 | 112.1 | E13 G20 K21 | E13-D17 WeakPolarHBondContact O-CB 3.42Å; E13-D17 PolarHBondContact O-N 2.88Å; D17-G20 PolarHBondContact O-N 2.94Å; D17-K21 WeakPolarHBondContact O-CG 3.28Å; D17-K21 PolarHBondContact O-N 2.83Å |
| 18 | L | 95.9 | Very high | 95.4 | Very high | 105 Ų | 105 | 98.2 Ų | 98.2 | 55% | 0.55 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 175.8 | -75 | 171.5 | 0 | 0 | 0 | 111.1 | E14 E15 G20 K21 V22 | E14-L18 WeakPolarHBondContact O-CB 3.24Å; E14-L18 WeakPolarHBondContact O-CG 3.2Å; E14-L18 PolarHBondContact O-N 2.86Å; E15-L18 PolarHBondContact O-N 3.32Å; L18-G20 VanDerWaalsContact C-N 3.33Å; L18-G20 PolarHBondContact O-N 3.49Å; L18-K21 PolarHBondContact O-N 2.94Å; L18-V22 WeakPolarHBondContact O-CB 3.45Å; L18-V22 VanDerWaalsContact O-CG2 3.24Å; L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.33Å |
| 19 | R | 96 | Very high | 95.6 | Very high | 157 Ų | 157 | 98.7 Ų | 98.7 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 174.1 | -76.7 | 173.1 | 178.6 | -84.1 | 0.1 | 111.6 | E15 D16 V22 S23 | E15-R19 WeakPolarHBondContact O-CB 3.27Å; E15-R19 VanDerWaalsContact O-CG 3.27Å; E15-R19 WeakPolarHBondContact O-CG 3.43Å; E15-R19 PolarHBondContact O-N 2.75Å; E15-R19 IonicContact OE1-CZ 3.82Å; E15-R19 VanDerWaalsContact OE1-CZ 3.27Å; E15-R19 IonicContact OE1-NE 3.27Å; E15-R19 PolarHBondContact OE1-NE 2.88Å; E15-R19 IonicContact OE1-NH2 2.86Å; E15-R19 PolarHBondContact OE1-NH2 3.31Å; D16-R19 PolarHBondContact O-N 2.97Å; R19-V22 PolarHBondContact O-N 3.4Å; R19-S23 WeakPolarHBondContact O-CB 3.33Å; R19-S23 PolarHBondContact O-N 3.41Å |
| 20 | G | 96.2 | Very high | 95.9 | Very high | 32 Ų | 32 | 101.7 Ų | 101.7 | 33% | 0.33 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | D16 D17 L18 V22 S23 D24 | D16-G20 PolarHBondContact O-N 2.97Å; D17-G20 PolarHBondContact O-N 2.94Å; L18-G20 VanDerWaalsContact C-N 3.33Å; L18-G20 PolarHBondContact O-N 3.49Å; G20-V22 VanDerWaalsContact C-N 3.33Å; G20-V22 PolarHBondContact O-N 3.42Å; G20-S23 WeakPolarHBondContact O-CB 3.48Å; G20-S23 PolarHBondContact O-N 2.94Å; G20-D24 PolarHBondContact O-N 3.38Å |
| 21 | K | 96.8 | Very high | 96.1 | Very high | 122 Ų | 122 | 102 Ų | 102 | 53% | 0.53 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 176.8 | -72.8 | 170.6 | -175.8 | 165.8 | 0 | 112.9 | D17 L18 D24 I25 | D17-K21 WeakPolarHBondContact O-CG 3.28Å; D17-K21 PolarHBondContact O-N 2.83Å; L18-K21 PolarHBondContact O-N 2.94Å; K21-D24 PolarHBondContact O-N 2.94Å; K21-I25 WeakPolarHBondContact O-CB 3.37Å; K21-I25 VanDerWaalsContact O-CG1 3.23Å; K21-I25 WeakPolarHBondContact O-CG1 3.23Å; K21-I25 PolarHBondContact O-N 2.85Å |
| 22 | V | 96.7 | Very high | 96.3 | Very high | 75 Ų | 75 | 101 Ų | 101 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 176.1 | 168.4 | 0 | 0 | 0 | 0 | 110.1 | L18 R19 G20 D24 I25 E26 | L18-V22 WeakPolarHBondContact O-CB 3.45Å; L18-V22 VanDerWaalsContact O-CG2 3.24Å; L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.33Å; R19-V22 PolarHBondContact O-N 3.4Å; G20-V22 VanDerWaalsContact C-N 3.33Å; G20-V22 PolarHBondContact O-N 3.42Å; V22-D24 VanDerWaalsContact C-N 3.34Å; V22-D24 PolarHBondContact O-N 2.87Å; V22-I25 PolarHBondContact O-N 3.41Å; V22-E26 HydrophobicContact CG1-CG 4.36Å; V22-E26 WeakPolarHBondContact O-CB 3.26Å; V22-E26 VanDerWaalsContact O-CG 3.28Å; V22-E26 WeakPolarHBondContact O-CG 3.27Å; V22-E26 PolarHBondContact O-N 3.44Å |
| 23 | S | 96.6 | Very high | 96.5 | Very high | 61 Ų | 61 | 97.2 Ų | 97.2 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 176.9 | -176 | 0 | 0 | 0 | 0 | 112.9 | R19 G20 S27 | R19-S23 WeakPolarHBondContact O-CB 3.33Å; R19-S23 PolarHBondContact O-N 3.41Å; G20-S23 WeakPolarHBondContact O-CB 3.48Å; G20-S23 PolarHBondContact O-N 2.94Å; S23-S27 WeakPolarHBondContact O-CB 3.41Å; S23-S27 PolarHBondContact O-N 3.18Å; S23-S27 PolarHBondContact O-OG 3.3Å |
| 24 | D | 97.1 | Very high | 96.6 | Very high | 99 Ų | 99 | 95.5 Ų | 95.5 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 176.7 | -73.7 | -16.7 | 0 | 0 | 0 | 111.5 | G20 K21 V22 S27 Q28 | G20-D24 PolarHBondContact O-N 3.38Å; K21-D24 PolarHBondContact O-N 2.94Å; V22-D24 VanDerWaalsContact C-N 3.34Å; V22-D24 PolarHBondContact O-N 2.87Å; D24-S27 WeakPolarHBondContact O-CB 3.47Å; D24-S27 PolarHBondContact O-N 3.03Å; D24-Q28 WeakPolarHBondContact O-CG 3.45Å; D24-Q28 PolarHBondContact O-N 2.91Å |
| 25 | I | 97.1 | Very high | 96.7 | Very high | 90 Ų | 90 | 96.4 Ų | 96.4 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 176.5 | -71.1 | 167.4 | 0 | 0 | 0 | 110.5 | K21 V22 S27 Q28 I29 | K21-I25 WeakPolarHBondContact O-CB 3.37Å; K21-I25 VanDerWaalsContact O-CG1 3.23Å; K21-I25 WeakPolarHBondContact O-CG1 3.23Å; K21-I25 PolarHBondContact O-N 2.85Å; V22-I25 PolarHBondContact O-N 3.41Å; I25-S27 VanDerWaalsContact C-N 3.28Å; I25-S27 PolarHBondContact O-N 3.43Å; I25-Q28 PolarHBondContact O-N 3.31Å; I25-I29 HydrophobicContact CG2-CD1 3.69Å; I25-I29 HydrophobicContact CG2-CG1 4.25Å; I25-I29 WeakPolarHBondContact O-CB 3.37Å; I25-I29 VanDerWaalsContact O-CG1 3.27Å; I25-I29 WeakPolarHBondContact O-CG1 3.5Å; I25-I29 PolarHBondContact O-N 3.47Å |
| 26 | E | 97.2 | Very high | 96.8 | Very high | 120 Ų | 120 | 95.5 Ų | 95.5 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.2 | -40.8 | 175.5 | -76.3 | 175.4 | 170.4 | 0 | 0 | 111.7 | V22 I29 K30 | V22-E26 HydrophobicContact CG1-CG 4.36Å; V22-E26 WeakPolarHBondContact O-CB 3.26Å; V22-E26 VanDerWaalsContact O-CG 3.28Å; V22-E26 WeakPolarHBondContact O-CG 3.27Å; V22-E26 PolarHBondContact O-N 3.44Å; E26-I29 PolarHBondContact O-N 2.82Å; E26-K30 WeakPolarHBondContact O-CB 3.47Å; E26-K30 PolarHBondContact O-N 3.27Å |
| 27 | S | 96.5 | Very high | 96.9 | Very high | 71 Ų | 71 | 96.3 Ų | 96.3 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | S23 D24 I25 K30 C31 | S23-S27 WeakPolarHBondContact O-CB 3.41Å; S23-S27 PolarHBondContact O-N 3.18Å; S23-S27 PolarHBondContact O-OG 3.3Å; D24-S27 WeakPolarHBondContact O-CB 3.47Å; D24-S27 PolarHBondContact O-N 3.03Å; I25-S27 VanDerWaalsContact C-N 3.28Å; I25-S27 PolarHBondContact O-N 3.43Å; S27-K30 PolarHBondContact O-N 3.01Å; S27-C31 WeakPolarHBondContact O-CB 3.47Å; S27-C31 PolarHBondContact O-N 2.97Å |
| 28 | Q | 97.7 | Very high | 97 | Very high | 129 Ų | 129 | 97.7 Ų | 97.7 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -44.1 | 174.8 | -72.4 | 175.9 | 15 | 0 | 0 | 112.1 | D24 I25 K30 C31 V32 | D24-Q28 WeakPolarHBondContact O-CG 3.45Å; D24-Q28 PolarHBondContact O-N 2.91Å; I25-Q28 PolarHBondContact O-N 3.31Å; Q28-K30 VanDerWaalsContact C-N 3.3Å; Q28-K30 PolarHBondContact O-N 3.45Å; Q28-C31 WeakPolarHBondContact O-CB 3.42Å; Q28-C31 PolarHBondContact O-N 3.45Å; Q28-V32 WeakPolarHBondContact O-CG2 3.43Å; Q28-V32 PolarHBondContact O-N 2.71Å |
| 29 | I | 97.2 | Very high | 97.1 | Very high | 101 Ų | 101 | 96 Ų | 96 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 175.9 | -72.2 | 168.8 | 0 | 0 | 0 | 109.7 | I25 E26 C31 V32 V33 | I25-I29 HydrophobicContact CG2-CD1 3.69Å; I25-I29 HydrophobicContact CG2-CG1 4.25Å; I25-I29 WeakPolarHBondContact O-CB 3.37Å; I25-I29 VanDerWaalsContact O-CG1 3.27Å; I25-I29 WeakPolarHBondContact O-CG1 3.5Å; I25-I29 PolarHBondContact O-N 3.47Å; E26-I29 PolarHBondContact O-N 2.82Å; I29-C31 VanDerWaalsContact C-N 3.35Å; I29-C31 PolarHBondContact O-N 3.22Å; I29-V32 PolarHBondContact O-N 2.92Å; I29-V33 HydrophobicContact CG2-CG2 4.33Å; I29-V33 WeakPolarHBondContact O-CB 3.5Å; I29-V33 VanDerWaalsContact O-CG2 3.26Å; I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 3.39Å |
| 30 | K | 97.1 | Very high | 97.1 | Very high | 143 Ų | 143 | 91.5 Ų | 91.5 | 62% | 0.622 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.6 | -45.3 | 177.3 | -172.5 | 179.4 | 178.1 | -176.1 | 0 | 111.9 | E26 S27 Q28 V32 V33 D34 | E26-K30 WeakPolarHBondContact O-CB 3.47Å; E26-K30 PolarHBondContact O-N 3.27Å; S27-K30 PolarHBondContact O-N 3.01Å; Q28-K30 VanDerWaalsContact C-N 3.3Å; Q28-K30 PolarHBondContact O-N 3.45Å; K30-V32 PolarHBondContact O-N 2.85Å; K30-V33 PolarHBondContact O-N 3.21Å; K30-D34 PolarHBondContact O-N 3.33Å |
| 31 | C | 97.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 93 Ų | 93 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 112 | S27 Q28 I29 V33 D34 E35 | S27-C31 WeakPolarHBondContact O-CB 3.47Å; S27-C31 PolarHBondContact O-N 2.97Å; Q28-C31 WeakPolarHBondContact O-CB 3.42Å; Q28-C31 PolarHBondContact O-N 3.45Å; I29-C31 VanDerWaalsContact C-N 3.35Å; I29-C31 PolarHBondContact O-N 3.22Å; C31-V33 VanDerWaalsContact C-N 3.34Å; C31-V33 PolarHBondContact O-N 3.11Å; C31-D34 PolarHBondContact O-N 2.99Å; C31-E35 WeakPolarHBondContact O-CG 3.29Å; C31-E35 PolarHBondContact O-N 3.29Å |
| 32 | V | 97.4 | Very high | 97.2 | Very high | 82 Ų | 82 | 91.7 Ų | 91.7 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 178.7 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | Q28 I29 K30 T36 | Q28-V32 WeakPolarHBondContact O-CG2 3.43Å; Q28-V32 PolarHBondContact O-N 2.71Å; I29-V32 PolarHBondContact O-N 2.92Å; K30-V32 PolarHBondContact O-N 2.85Å; V32-T36 VanDerWaalsContact O-CB 3.29Å; V32-T36 WeakPolarHBondContact O-CB 3.39Å; V32-T36 PolarHBondContact O-N 3.49Å; V32-T36 PolarHBondContact O-OG1 2.93Å |
| 33 | V | 97.7 | Very high | 97.2 | Very high | 63 Ų | 63 | 93.6 Ų | 93.6 | 38% | 0.382 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 175.9 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | I29 K30 C31 E35 T36 H37 | I29-V33 HydrophobicContact CG2-CG2 4.33Å; I29-V33 WeakPolarHBondContact O-CB 3.5Å; I29-V33 VanDerWaalsContact O-CG2 3.26Å; I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 3.39Å; K30-V33 PolarHBondContact O-N 3.21Å; C31-V33 VanDerWaalsContact C-N 3.34Å; C31-V33 PolarHBondContact O-N 3.11Å; V33-E35 PolarHBondContact O-N 2.9Å; V33-T36 WeakPolarHBondContact O-CB 3.46Å; V33-T36 PolarHBondContact O-N 2.98Å; V33-H37 PolarHBondContact O-CD2 3.46Å; V33-H37 PolarHBondContact O-N 3.49Å |
| 34 | D | 97.3 | Very high | 97.3 | Very high | 95 Ų | 95 | 99.4 Ų | 99.4 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -42 | 177.3 | -71.2 | -21.1 | 0 | 0 | 0 | 111.5 | K30 C31 H37 K38 | K30-D34 PolarHBondContact O-N 3.33Å; C31-D34 PolarHBondContact O-N 2.99Å; D34-H37 PolarHBondContact O-N 2.9Å; D34-K38 PolarHBondContact O-N 3.46Å |
| 35 | E | 97.5 | Very high | 97.3 | Very high | 115 Ų | 115 | 99.9 Ų | 99.9 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 172.9 | -73.8 | 176.4 | -176.6 | 0 | 0 | 112.2 | C31 V33 H37 K38 V39 | C31-E35 WeakPolarHBondContact O-CG 3.29Å; C31-E35 PolarHBondContact O-N 3.29Å; V33-E35 PolarHBondContact O-N 2.9Å; E35-H37 VanDerWaalsContact C-N 3.34Å; E35-H37 PolarHBondContact O-N 3.43Å; E35-K38 WeakPolarHBondContact O-CB 3.42Å; E35-K38 PolarHBondContact O-N 3.21Å; E35-V39 WeakPolarHBondContact O-CG2 3.31Å; E35-V39 PolarHBondContact O-N 3.44Å |
| 36 | T | 97.8 | Very high | 97.3 | Very high | 68 Ų | 68 | 100.8 Ų | 100.8 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.5 | -60.9 | 0 | 0 | 0 | 0 | 111 | V32 V33 V39 N40 | V32-T36 VanDerWaalsContact O-CB 3.29Å; V32-T36 WeakPolarHBondContact O-CB 3.39Å; V32-T36 PolarHBondContact O-N 3.49Å; V32-T36 PolarHBondContact O-OG1 2.93Å; V33-T36 WeakPolarHBondContact O-CB 3.46Å; V33-T36 PolarHBondContact O-N 2.98Å; T36-V39 PolarHBondContact O-N 3.23Å; T36-N40 VanDerWaalsContact O-CB 3.31Å; T36-N40 WeakPolarHBondContact O-CB 3.48Å; T36-N40 PolarHBondContact O-N 3.18Å; T36-N40 PolarHBondContact O-ND2 3.2Å |
| 37 | H | 96.9 | Very high | 97.4 | Very high | 124 Ų | 124 | 97.5 Ų | 97.5 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 174.2 | -76.6 | -58.1 | 0 | 0 | 0 | 112.2 | V33 D34 E35 N40 S41 | V33-H37 PolarHBondContact O-CD2 3.46Å; V33-H37 PolarHBondContact O-N 3.49Å; D34-H37 PolarHBondContact O-N 2.9Å; E35-H37 VanDerWaalsContact C-N 3.34Å; E35-H37 PolarHBondContact O-N 3.43Å; H37-N40 PolarHBondContact O-N 2.99Å; H37-S41 PolarHBondContact O-N 3Å |
| 38 | K | 97.2 | Very high | 97.4 | Very high | 134 Ų | 134 | 97.2 Ų | 97.2 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -49.1 | 176.2 | -174.1 | -177.4 | 175.4 | -171.3 | 0 | 111.8 | D34 E35 N40 S41 E42 | D34-K38 PolarHBondContact O-N 3.46Å; E35-K38 WeakPolarHBondContact O-CB 3.42Å; E35-K38 PolarHBondContact O-N 3.21Å; K38-N40 VanDerWaalsContact C-N 3.33Å; K38-N40 PolarHBondContact O-N 2.86Å; K38-S41 WeakPolarHBondContact O-CB 3.36Å; K38-S41 PolarHBondContact O-N 3.47Å; K38-E42 VanDerWaalsContact CE-OE1 3.26Å; K38-E42 WeakPolarHBondContact CE-OE1 3Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 3.33Å |
| 39 | V | 97.4 | Very high | 97.4 | Very high | 69 Ų | 69 | 96.7 Ų | 96.7 | 42% | 0.418 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 177.7 | 170.1 | 0 | 0 | 0 | 0 | 111 | E35 T36 S41 E42 Q43 | E35-V39 WeakPolarHBondContact O-CG2 3.31Å; E35-V39 PolarHBondContact O-N 3.44Å; T36-V39 PolarHBondContact O-N 3.23Å; V39-S41 VanDerWaalsContact C-N 3.33Å; V39-S41 PolarHBondContact O-N 3.34Å; V39-E42 PolarHBondContact O-N 3.12Å; V39-Q43 HydrophobicContact CG1-CG 4.4Å; V39-Q43 WeakPolarHBondContact O-CG 3.5Å; V39-Q43 PolarHBondContact O-N 3.28Å |
| 40 | N | 96.9 | Very high | 97.5 | Very high | 62 Ų | 62 | 96.9 Ų | 96.9 | 33% | 0.332 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.7 | -74.6 | -22.2 | 0 | 0 | 0 | 111.7 | T36 H37 K38 Q43 Y44 | T36-N40 VanDerWaalsContact O-CB 3.31Å; T36-N40 WeakPolarHBondContact O-CB 3.48Å; T36-N40 PolarHBondContact O-N 3.18Å; T36-N40 PolarHBondContact O-ND2 3.2Å; H37-N40 PolarHBondContact O-N 2.99Å; K38-N40 VanDerWaalsContact C-N 3.33Å; K38-N40 PolarHBondContact O-N 2.86Å; N40-Q43 PolarHBondContact O-N 3.04Å; N40-Y44 WeakPolarHBondContact O-CD2 3.26Å; N40-Y44 PolarHBondContact O-N 3.27Å |
| 41 | S | 96.9 | Very high | 97.5 | Very high | 64 Ų | 64 | 96.7 Ų | 96.7 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 175 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | H37 K38 V39 Q43 Y44 E45 | H37-S41 PolarHBondContact O-N 3Å; K38-S41 WeakPolarHBondContact O-CB 3.36Å; K38-S41 PolarHBondContact O-N 3.47Å; V39-S41 VanDerWaalsContact C-N 3.33Å; V39-S41 PolarHBondContact O-N 3.34Å; S41-Q43 VanDerWaalsContact C-N 3.34Å; S41-Q43 PolarHBondContact O-N 3.46Å; S41-Y44 PolarHBondContact O-N 3Å; S41-E45 PolarHBondContact O-N 3.42Å; S41-E45 VanDerWaalsContact O-N 3.12Å |
| 42 | E | 97.6 | Very high | 97.5 | Very high | 94 Ų | 94 | 97.7 Ų | 97.7 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 177 | -70.4 | 174.7 | -172.3 | 0 | 0 | 111.9 | K38 V39 E45 L46 | K38-E42 VanDerWaalsContact CE-OE1 3.26Å; K38-E42 WeakPolarHBondContact CE-OE1 3Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 3.33Å; V39-E42 PolarHBondContact O-N 3.12Å; E42-E45 PolarHBondContact O-N 3Å; E42-L46 WeakPolarHBondContact O-CB 3.39Å; E42-L46 WeakPolarHBondContact O-CG 3.33Å; E42-L46 PolarHBondContact O-N 2.9Å |
| 43 | Q | 97.7 | Very high | 97.6 | Very high | 115 Ų | 115 | 98.9 Ų | 98.9 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 174.7 | -75.5 | 178.3 | 0.8 | 0 | 0 | 112.2 | V39 N40 S41 L46 A47 | V39-Q43 HydrophobicContact CG1-CG 4.4Å; V39-Q43 WeakPolarHBondContact O-CG 3.5Å; V39-Q43 PolarHBondContact O-N 3.28Å; N40-Q43 PolarHBondContact O-N 3.04Å; S41-Q43 VanDerWaalsContact C-N 3.34Å; S41-Q43 PolarHBondContact O-N 3.46Å; Q43-L46 PolarHBondContact O-N 3.32Å; Q43-A47 WeakPolarHBondContact O-CB 3.45Å; Q43-A47 PolarHBondContact O-N 2.88Å |
| 44 | Y | 97.4 | Very high | 97.6 | Very high | 184 Ų | 184 | 102.2 Ų | 102.2 | 72% | 0.722 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 175.9 | -75.2 | -63 | 0 | 0 | 0 | 112 | N40 S41 A47 A48 | N40-Y44 WeakPolarHBondContact O-CD2 3.26Å; N40-Y44 PolarHBondContact O-N 3.27Å; S41-Y44 PolarHBondContact O-N 3Å; Y44-A47 PolarHBondContact O-N 3.44Å; Y44-A48 PolarHBondContact O-N 3.46Å; Y44-A48 VanDerWaalsContact O-N 3.07Å |
| 45 | E | 97.6 | Very high | 97.6 | Very high | 108 Ų | 108 | 103.9 Ų | 103.9 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176 | -72.3 | -173.7 | -166.6 | 0 | 0 | 112.7 | S41 E42 A48 K49 | S41-E45 PolarHBondContact O-N 3.42Å; S41-E45 VanDerWaalsContact O-N 3.12Å; E42-E45 PolarHBondContact O-N 3Å; E45-A48 PolarHBondContact O-N 3.05Å; E45-K49 WeakPolarHBondContact O-CG 3.36Å; E45-K49 PolarHBondContact O-N 3.37Å |
| 46 | L | 97.8 | Very high | 97.7 | Very high | 109 Ų | 109 | 103.5 Ų | 103.5 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -42.8 | 177.3 | -74.5 | 172.4 | 0 | 0 | 0 | 111.5 | E42 Q43 A48 K49 E50 | E42-L46 WeakPolarHBondContact O-CB 3.39Å; E42-L46 WeakPolarHBondContact O-CG 3.33Å; E42-L46 PolarHBondContact O-N 2.9Å; Q43-L46 PolarHBondContact O-N 3.32Å; L46-A48 VanDerWaalsContact C-N 3.32Å; L46-A48 PolarHBondContact O-N 2.92Å; L46-K49 PolarHBondContact O-N 2.64Å; L46-E50 WeakPolarHBondContact O-CB 3.45Å; L46-E50 PolarHBondContact O-N 2.9Å |
| 47 | A | 97.8 | Very high | 97.7 | Very high | 52 Ų | 52 | 103.9 Ų | 103.9 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q43 Y44 E50 M51 | Q43-A47 WeakPolarHBondContact O-CB 3.45Å; Q43-A47 PolarHBondContact O-N 2.88Å; Y44-A47 PolarHBondContact O-N 3.44Å; A47-E50 PolarHBondContact O-N 3.07Å; A47-M51 PolarHBondContact O-N 3.41Å |
| 48 | A | 97.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 102.8 Ų | 102.8 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y44 E45 L46 M51 L52 | Y44-A48 PolarHBondContact O-N 3.46Å; Y44-A48 VanDerWaalsContact O-N 3.07Å; E45-A48 PolarHBondContact O-N 3.05Å; L46-A48 VanDerWaalsContact C-N 3.32Å; L46-A48 PolarHBondContact O-N 2.92Å; A48-M51 PolarHBondContact O-N 3.36Å; A48-L52 PolarHBondContact O-N 2.86Å; A48-L52 VanDerWaalsContact O-N 3.08Å |
| 49 | K | 98.2 | Very high | 97.8 | Very high | 119 Ų | 119 | 101.1 Ų | 101.1 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.4 | -73.5 | 170.3 | -174.3 | 162.1 | 0 | 111.8 | E45 L46 L52 L53 | E45-K49 WeakPolarHBondContact O-CG 3.36Å; E45-K49 PolarHBondContact O-N 3.37Å; L46-K49 PolarHBondContact O-N 2.64Å; K49-L52 PolarHBondContact O-N 2.92Å; K49-L53 WeakPolarHBondContact O-CB 3.42Å; K49-L53 WeakPolarHBondContact O-CG 3.09Å; K49-L53 PolarHBondContact O-N 3.46Å |
| 50 | E | 98.1 | Very high | 97.8 | Very high | 104 Ų | 104 | 103.8 Ų | 103.8 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 177 | -172.2 | -170.8 | 163.4 | 0 | 0 | 111.2 | L46 A47 L52 L53 K54 | L46-E50 WeakPolarHBondContact O-CB 3.45Å; L46-E50 PolarHBondContact O-N 2.9Å; A47-E50 PolarHBondContact O-N 3.07Å; E50-L52 PolarHBondContact O-N 3.28Å; E50-L53 PolarHBondContact O-N 3.47Å; E50-K54 HydrophobicContact CG-CD 4.46Å; E50-K54 WeakPolarHBondContact O-CG 3.37Å; E50-K54 PolarHBondContact O-N 3.08Å; E50-K54 WeakPolarHBondContact OE1-CE 3.47Å; E50-K54 IonicContact OE1-NZ 2.75Å; E50-K54 PolarHBondContact OE1-NZ 2.97Å |
| 51 | M | 97.7 | Very high | 97.8 | Very high | 140 Ų | 140 | 105.4 Ų | 105.4 | 69% | 0.69 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.8 | -45.5 | 176.6 | -177 | -178.6 | 167.9 | 0 | 0 | 111.8 | A47 A48 L53 K54 Q55 | A47-M51 PolarHBondContact O-N 3.41Å; A48-M51 PolarHBondContact O-N 3.36Å; M51-L53 PolarHBondContact O-N 3.49Å; M51-K54 PolarHBondContact O-N 3.4Å; M51-Q55 PolarHBondContact O-N 3.36Å |
| 52 | L | 98 | Very high | 97.9 | Very high | 87 Ų | 87 | 106 Ų | 106 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 177.2 | -178.8 | 63 | 0 | 0 | 0 | 112.1 | A48 K49 E50 Q55 K56 | A48-L52 PolarHBondContact O-N 2.86Å; A48-L52 VanDerWaalsContact O-N 3.08Å; K49-L52 PolarHBondContact O-N 2.92Å; E50-L52 PolarHBondContact O-N 3.28Å; L52-Q55 PolarHBondContact O-N 3.01Å; L52-K56 WeakPolarHBondContact O-CG 3.47Å; L52-K56 PolarHBondContact O-N 3.33Å |
| 53 | L | 98.1 | Very high | 97.9 | Very high | 106 Ų | 106 | 109.8 Ų | 109.8 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 176.2 | -77.1 | 170.8 | 0 | 0 | 0 | 111.5 | K49 E50 M51 Q55 K56 C57 | K49-L53 WeakPolarHBondContact O-CB 3.42Å; K49-L53 WeakPolarHBondContact O-CG 3.09Å; K49-L53 PolarHBondContact O-N 3.46Å; E50-L53 PolarHBondContact O-N 3.47Å; M51-L53 PolarHBondContact O-N 3.49Å; L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 3.18Å; L53-K56 PolarHBondContact O-N 2.87Å; L53-C57 PolarHBondContact O-N 3.21Å; L53-C57 PolarHBondContact O-SG 3.4Å; L53-C57 VanDerWaalsContact O-SG 3.33Å |
| 54 | K | 98.3 | Very high | 97.9 | Very high | 133 Ų | 133 | 109 Ų | 109 | 58% | 0.578 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.3 | -44.9 | 174.5 | -75.4 | 177.8 | -178 | 169.4 | 0 | 111.5 | E50 M51 K56 C57 Q58 | E50-K54 HydrophobicContact CG-CD 4.46Å; E50-K54 WeakPolarHBondContact O-CG 3.37Å; E50-K54 PolarHBondContact O-N 3.08Å; E50-K54 WeakPolarHBondContact OE1-CE 3.47Å; E50-K54 IonicContact OE1-NZ 2.75Å; E50-K54 PolarHBondContact OE1-NZ 2.97Å; M51-K54 PolarHBondContact O-N 3.4Å; K54-K56 PolarHBondContact O-N 3.01Å; K54-C57 PolarHBondContact O-N 3.41Å; K54-Q58 WeakPolarHBondContact O-CB 3.49Å; K54-Q58 PolarHBondContact O-N 3.49Å |
| 55 | Q | 97.9 | Very high | 98 | Very high | 130 Ų | 130 | 106.5 Ų | 106.5 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 176.6 | -169.9 | -177.7 | 20.1 | 0 | 0 | 112.3 | M51 L52 L53 Q58 M59 | M51-Q55 PolarHBondContact O-N 3.36Å; L52-Q55 PolarHBondContact O-N 3.01Å; L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 3.18Å; Q55-Q58 PolarHBondContact O-N 2.93Å; Q55-M59 WeakPolarHBondContact O-CB 3.41Å; Q55-M59 PolarHBondContact O-N 2.95Å |
| 56 | K | 98.3 | Very high | 98 | Very high | 107 Ų | 107 | 105.6 Ų | 105.6 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 176.6 | -77.1 | -179.2 | 177.9 | -178.8 | 0 | 112.3 | L52 L53 K54 Q58 M59 Q60 | L52-K56 WeakPolarHBondContact O-CG 3.47Å; L52-K56 PolarHBondContact O-N 3.33Å; L53-K56 PolarHBondContact O-N 2.87Å; K54-K56 PolarHBondContact O-N 3.01Å; K56-Q58 VanDerWaalsContact C-N 3.32Å; K56-Q58 PolarHBondContact O-N 3.11Å; K56-M59 PolarHBondContact O-N 2.92Å; K56-Q60 WeakPolarHBondContact O-CB 3.47Å; K56-Q60 WeakPolarHBondContact O-CG 3.43Å; K56-Q60 PolarHBondContact O-N 2.92Å |
| 57 | C | 97.9 | Very high | 98 | Very high | 76 Ų | 76 | 103 Ų | 103 | 51% | 0.514 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 176.5 | -70.6 | 0 | 0 | 0 | 0 | 111.2 | L53 K54 Q60 N61 | L53-C57 PolarHBondContact O-N 3.21Å; L53-C57 PolarHBondContact O-SG 3.4Å; L53-C57 VanDerWaalsContact O-SG 3.33Å; K54-C57 PolarHBondContact O-N 3.41Å; C57-Q60 PolarHBondContact O-N 3.31Å; C57-N61 WeakPolarHBondContact O-CB 3.38Å; C57-N61 PolarHBondContact O-N 3.05Å |
| 58 | Q | 98.1 | Very high | 98 | Very high | 102 Ų | 102 | 105.4 Ų | 105.4 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 176.7 | -175.5 | 58.1 | 36.1 | 0 | 0 | 111.5 | K54 Q55 K56 Q60 N61 D62 | K54-Q58 WeakPolarHBondContact O-CB 3.49Å; K54-Q58 PolarHBondContact O-N 3.49Å; Q55-Q58 PolarHBondContact O-N 2.93Å; K56-Q58 VanDerWaalsContact C-N 3.32Å; K56-Q58 PolarHBondContact O-N 3.11Å; Q58-Q60 VanDerWaalsContact C-N 3.3Å; Q58-Q60 PolarHBondContact O-N 3.33Å; Q58-N61 WeakPolarHBondContact O-CB 3.35Å; Q58-N61 PolarHBondContact O-N 3.49Å; Q58-N61 VanDerWaalsContact O-N 3.11Å; Q58-D62 PolarHBondContact NE2-OD1 2.88Å; Q58-D62 PolarHBondContact NE2-OD2 3.49Å; Q58-D62 PolarHBondContact O-N 3.43Å |
| 59 | M | 97.9 | Very high | 98.1 | Very high | 99 Ų | 99 | 106.4 Ų | 106.4 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 177.6 | -178.7 | -169.1 | 63.8 | 0 | 0 | 112.4 | Q55 K56 R63 | Q55-M59 WeakPolarHBondContact O-CB 3.41Å; Q55-M59 PolarHBondContact O-N 2.95Å; K56-M59 PolarHBondContact O-N 2.92Å; M59-R63 WeakPolarHBondContact O-CB 3.3Å; M59-R63 VanDerWaalsContact O-CG 3.3Å; M59-R63 WeakPolarHBondContact O-CG 3.5Å; M59-R63 PolarHBondContact O-N 3.35Å |
| 60 | Q | 98.1 | Very high | 98.1 | Very high | 124 Ų | 124 | 108.6 Ų | 108.6 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67 | -38.7 | 176.4 | -76.6 | 178.4 | -20 | 0 | 0 | 111.9 | K56 C57 Q58 R63 L64 | K56-Q60 WeakPolarHBondContact O-CB 3.47Å; K56-Q60 WeakPolarHBondContact O-CG 3.43Å; K56-Q60 PolarHBondContact O-N 2.92Å; C57-Q60 PolarHBondContact O-N 3.31Å; Q58-Q60 VanDerWaalsContact C-N 3.3Å; Q58-Q60 PolarHBondContact O-N 3.33Å; Q60-R63 PolarHBondContact O-N 3.42Å; Q60-L64 WeakPolarHBondContact O-CB 3.45Å; Q60-L64 PolarHBondContact O-N 2.91Å |
| 61 | N | 97.7 | Very high | 98 | Very high | 96 Ų | 96 | 109 Ų | 109 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 177.2 | -160.7 | 16.2 | 0 | 0 | 0 | 111.5 | C57 Q58 R63 L64 K65 | C57-N61 WeakPolarHBondContact O-CB 3.38Å; C57-N61 PolarHBondContact O-N 3.05Å; Q58-N61 WeakPolarHBondContact O-CB 3.35Å; Q58-N61 PolarHBondContact O-N 3.49Å; Q58-N61 VanDerWaalsContact O-N 3.11Å; N61-R63 PolarHBondContact O-N 3.05Å; N61-L64 PolarHBondContact O-N 3.38Å; N61-K65 WeakPolarHBondContact O-CB 3.38Å; N61-K65 PolarHBondContact O-N 2.96Å |
| 62 | D | 98.2 | Very high | 98 | Very high | 76 Ų | 76 | 105 Ų | 105 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 175.4 | -64.8 | -28 | 0 | 0 | 0 | 111 | Q58 L64 K65 D66 | Q58-D62 PolarHBondContact NE2-OD1 2.88Å; Q58-D62 PolarHBondContact NE2-OD2 3.49Å; Q58-D62 PolarHBondContact O-N 3.43Å; D62-L64 VanDerWaalsContact C-N 3.33Å; D62-L64 PolarHBondContact O-N 3.27Å; D62-K65 PolarHBondContact O-N 3.41Å; D62-D66 PolarHBondContact O-N 3.23Å |
| 63 | R | 97.9 | Very high | 98 | Very high | 174 Ų | 174 | 105.8 Ų | 105.8 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -38.9 | 174.5 | -74.3 | 176 | 66.8 | 166.8 | 2 | 113.1 | M59 Q60 N61 A67 | M59-R63 WeakPolarHBondContact O-CB 3.3Å; M59-R63 VanDerWaalsContact O-CG 3.3Å; M59-R63 WeakPolarHBondContact O-CG 3.5Å; M59-R63 PolarHBondContact O-N 3.35Å; Q60-R63 PolarHBondContact O-N 3.42Å; N61-R63 PolarHBondContact O-N 3.05Å; R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 3.04Å |
| 64 | L | 98 | Very high | 98 | Very high | 100 Ų | 100 | 107.2 Ų | 107.2 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 177.7 | -178 | 63.1 | 0 | 0 | 0 | 110.6 | Q60 N61 D62 D66 A67 L68 | Q60-L64 WeakPolarHBondContact O-CB 3.45Å; Q60-L64 PolarHBondContact O-N 2.91Å; N61-L64 PolarHBondContact O-N 3.38Å; D62-L64 VanDerWaalsContact C-N 3.33Å; D62-L64 PolarHBondContact O-N 3.27Å; L64-D66 PolarHBondContact O-N 3.48Å; L64-A67 PolarHBondContact O-N 3.06Å; L64-L68 HydrophobicContact CG-CD1 4.28Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 3.36Å |
| 65 | K | 98.2 | Very high | 97.9 | Very high | 130 Ų | 130 | 106 Ų | 106 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 175.9 | -169.9 | 178.1 | -177.9 | -177.7 | 0 | 111.6 | N61 D62 A67 L68 N69 | N61-K65 WeakPolarHBondContact O-CB 3.38Å; N61-K65 PolarHBondContact O-N 2.96Å; D62-K65 PolarHBondContact O-N 3.41Å; K65-A67 PolarHBondContact O-N 3.49Å; K65-L68 PolarHBondContact O-N 2.97Å; K65-N69 VanDerWaalsContact O-CG 3.24Å; K65-N69 PolarHBondContact O-N 3.33Å; K65-N69 PolarHBondContact O-ND2 3.26Å |
| 66 | D | 98.1 | Very high | 97.9 | Very high | 90 Ų | 90 | 104.6 Ų | 104.6 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.3 | -75 | -12.3 | 0 | 0 | 0 | 112.3 | D62 L64 N69 R70 | D62-D66 PolarHBondContact O-N 3.23Å; L64-D66 PolarHBondContact O-N 3.48Å; D66-N69 PolarHBondContact O-N 3.19Å; D66-R70 WeakPolarHBondContact O-CG 3.47Å; D66-R70 PolarHBondContact O-N 3.24Å |
| 67 | A | 98.1 | Very high | 97.9 | Very high | 54 Ų | 54 | 102 Ų | 102 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R63 L64 K65 R70 L71 | R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 3.04Å; L64-A67 PolarHBondContact O-N 3.06Å; K65-A67 PolarHBondContact O-N 3.49Å; A67-R70 PolarHBondContact O-N 3.02Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 2.97Å |
| 68 | L | 98.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 104.2 Ų | 104.2 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.9 | -73.8 | 172.2 | 0 | 0 | 0 | 111.7 | L64 K65 L71 S72 | L64-L68 HydrophobicContact CG-CD1 4.28Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 3.36Å; K65-L68 PolarHBondContact O-N 2.97Å; L68-L71 PolarHBondContact O-N 2.91Å; L68-S72 PolarHBondContact O-N 2.93Å |
| 69 | N | 98.2 | Very high | 97.8 | Very high | 84 Ų | 84 | 102 Ų | 102 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 175.8 | -69.3 | -20.3 | 0 | 0 | 0 | 111.2 | K65 D66 L71 S72 D73 | K65-N69 VanDerWaalsContact O-CG 3.24Å; K65-N69 PolarHBondContact O-N 3.33Å; K65-N69 PolarHBondContact O-ND2 3.26Å; D66-N69 PolarHBondContact O-N 3.19Å; N69-L71 VanDerWaalsContact C-N 3.3Å; N69-L71 PolarHBondContact O-N 3.36Å; N69-S72 WeakPolarHBondContact O-CB 3.35Å; N69-S72 PolarHBondContact O-N 3.46Å; N69-D73 PolarHBondContact O-N 2.93Å |
| 70 | R | 98.2 | Very high | 97.7 | Very high | 166 Ų | 166 | 102.8 Ų | 102.8 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.7 | -39.2 | 176.2 | -70.9 | 175.8 | -174.2 | -175.5 | 2.6 | 112.5 | D66 A67 S72 D73 H74 | D66-R70 WeakPolarHBondContact O-CG 3.47Å; D66-R70 PolarHBondContact O-N 3.24Å; A67-R70 PolarHBondContact O-N 3.02Å; R70-S72 VanDerWaalsContact C-N 3.35Å; R70-D73 PolarHBondContact O-N 3.35Å; R70-H74 WeakPolarHBondContact O-CB 3.46Å; R70-H74 PolarHBondContact O-CD2 3.41Å; R70-H74 PolarHBondContact O-N 2.95Å |
| 71 | L | 97.6 | Very high | 97.7 | Very high | 111 Ų | 111 | 102 Ų | 102 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.3 | -38.6 | 178.4 | -168.8 | 135.8 | 0 | 0 | 0 | 111.3 | A67 L68 N69 H74 Q75 | A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 2.97Å; L68-L71 PolarHBondContact O-N 2.91Å; N69-L71 VanDerWaalsContact C-N 3.3Å; N69-L71 PolarHBondContact O-N 3.36Å; L71-H74 PolarHBondContact O-N 2.91Å; L71-Q75 WeakPolarHBondContact O-CB 3.42Å; L71-Q75 PolarHBondContact O-N 3.4Å |
| 72 | S | 97.6 | Very high | 97.7 | Very high | 56 Ų | 56 | 100.4 Ų | 100.4 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 171.4 | -164.3 | 0 | 0 | 0 | 0 | 111.4 | L68 N69 R70 H74 Q75 D76 | L68-S72 PolarHBondContact O-N 2.93Å; N69-S72 WeakPolarHBondContact O-CB 3.35Å; N69-S72 PolarHBondContact O-N 3.46Å; R70-S72 VanDerWaalsContact C-N 3.35Å; S72-H74 VanDerWaalsContact C-N 3.29Å; S72-H74 PolarHBondContact O-N 3.39Å; S72-Q75 WeakPolarHBondContact O-CB 3.46Å; S72-Q75 PolarHBondContact O-N 2.92Å; S72-Q75 VanDerWaalsContact O-N 3.11Å; S72-D76 PolarHBondContact O-N 3.11Å |
| 73 | D | 97.2 | Very high | 97.6 | Very high | 105 Ų | 105 | 104.3 Ų | 104.3 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.3 | -40.2 | 178.2 | -65.8 | -22.4 | 0 | 0 | 0 | 111.8 | N69 R70 S77 | N69-D73 PolarHBondContact O-N 2.93Å; R70-D73 PolarHBondContact O-N 3.35Å; D73-S77 VanDerWaalsContact O-CB 3.26Å; D73-S77 WeakPolarHBondContact O-CB 3.26Å; D73-S77 PolarHBondContact O-N 2.91Å |
| 74 | H | 97.7 | Very high | 97.6 | Very high | 136 Ų | 136 | 101.6 Ų | 101.6 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.9 | -38.2 | 175.6 | -77.6 | -52.4 | 0 | 0 | 0 | 112.5 | R70 L71 S72 H78 | R70-H74 WeakPolarHBondContact O-CB 3.46Å; R70-H74 PolarHBondContact O-CD2 3.41Å; R70-H74 PolarHBondContact O-N 2.95Å; L71-H74 PolarHBondContact O-N 2.91Å; S72-H74 VanDerWaalsContact C-N 3.29Å; S72-H74 PolarHBondContact O-N 3.39Å; H74-H78 VanDerWaalsContact O-CB 3.25Å; H74-H78 WeakPolarHBondContact O-CB 3.4Å; H74-H78 PolarHBondContact O-N 2.92Å |
| 75 | Q | 97.8 | Very high | 97.6 | Very high | 108 Ų | 108 | 101.6 Ų | 101.6 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 176.3 | -175.6 | 176.5 | -20.6 | 0 | 0 | 111 | L71 S72 S77 H78 D79 | L71-Q75 WeakPolarHBondContact O-CB 3.42Å; L71-Q75 PolarHBondContact O-N 3.4Å; S72-Q75 WeakPolarHBondContact O-CB 3.46Å; S72-Q75 PolarHBondContact O-N 2.92Å; S72-Q75 VanDerWaalsContact O-N 3.11Å; Q75-S77 VanDerWaalsContact C-N 3.33Å; Q75-S77 PolarHBondContact O-N 3.24Å; Q75-H78 WeakPolarHBondContact O-CB 3.5Å; Q75-H78 PolarHBondContact O-N 2.98Å; Q75-D79 PolarHBondContact O-N 3.43Å |
| 76 | D | 97.4 | Very high | 97.6 | Very high | 99 Ų | 99 | 100.5 Ų | 100.5 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.4 | -71.3 | -24.7 | 0 | 0 | 0 | 111.8 | S72 D79 H80 | S72-D76 PolarHBondContact O-N 3.11Å; D76-D79 PolarHBondContact O-N 2.97Å; D76-H80 WeakPolarHBondContact O-CB 3.44Å; D76-H80 PolarHBondContact O-N 3.47Å |
| 77 | S | 97.2 | Very high | 97.5 | Very high | 54 Ų | 54 | 101 Ų | 101 | 38% | 0.378 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 112 | D73 Q75 D79 H80 H81 | D73-S77 VanDerWaalsContact O-CB 3.26Å; D73-S77 WeakPolarHBondContact O-CB 3.26Å; D73-S77 PolarHBondContact O-N 2.91Å; Q75-S77 VanDerWaalsContact C-N 3.33Å; Q75-S77 PolarHBondContact O-N 3.24Å; S77-D79 PolarHBondContact O-N 3.49Å; S77-H80 PolarHBondContact O-N 2.97Å; S77-H81 PolarHBondContact O-CD2 2.82Å; S77-H81 PolarHBondContact O-N 3.06Å; S77-H81 PolarHBondContact OG-CD2 2.86Å |
| 78 | H | 97.4 | Very high | 97.5 | Very high | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.5 | -47 | 176.1 | 173.3 | -87.5 | 0 | 0 | 0 | 111.5 | H74 Q75 H80 H81 S82 | H74-H78 VanDerWaalsContact O-CB 3.25Å; H74-H78 WeakPolarHBondContact O-CB 3.4Å; H74-H78 PolarHBondContact O-N 2.92Å; Q75-H78 WeakPolarHBondContact O-CB 3.5Å; Q75-H78 PolarHBondContact O-N 2.98Å; H78-H80 VanDerWaalsContact C-N 3.32Å; H78-H80 PolarHBondContact O-N 3.46Å; H78-H81 PolarHBondContact O-N 3.04Å; H78-S82 WeakPolarHBondContact O-CB 3.39Å; H78-S82 PolarHBondContact O-N 3.19Å |
| 79 | D | 97.2 | Very high | 97.4 | Very high | 56 Ų | 56 | 101.8 Ų | 101.8 | 30% | 0.299 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 179.5 | -72.4 | -5.3 | 0 | 0 | 0 | 111.6 | Q75 D76 S77 S82 R83 | Q75-D79 PolarHBondContact O-N 3.43Å; D76-D79 PolarHBondContact O-N 2.97Å; S77-D79 PolarHBondContact O-N 3.49Å; D79-S82 PolarHBondContact O-N 3.49Å; D79-R83 VanDerWaalsContact O-CG 3.31Å; D79-R83 WeakPolarHBondContact O-CG 3.25Å; D79-R83 PolarHBondContact O-N 2.86Å |
| 80 | H | 96.8 | Very high | 97.3 | Very high | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 172.2 | -179.5 | 73.5 | 0 | 0 | 0 | 112 | D76 S77 H78 R83 K84 | D76-H80 WeakPolarHBondContact O-CB 3.44Å; D76-H80 PolarHBondContact O-N 3.47Å; S77-H80 PolarHBondContact O-N 2.97Å; H78-H80 VanDerWaalsContact C-N 3.32Å; H78-H80 PolarHBondContact O-N 3.46Å; H80-R83 PolarHBondContact O-N 3.32Å; H80-K84 WeakPolarHBondContact O-CB 3.31Å; H80-K84 PolarHBondContact O-N 3.43Å |
| 81 | H | 96.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 102 Ų | 102 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 178 | -75 | -54.1 | 0 | 0 | 0 | 112.6 | S77 H78 K84 L85 | S77-H81 PolarHBondContact O-CD2 2.82Å; S77-H81 PolarHBondContact O-N 3.06Å; S77-H81 PolarHBondContact OG-CD2 2.86Å; H78-H81 PolarHBondContact O-N 3.04Å; H81-K84 PolarHBondContact O-N 3.37Å; H81-L85 WeakPolarHBondContact O-CB 3.43Å; H81-L85 PolarHBondContact O-N 3.46Å |
| 82 | S | 97.4 | Very high | 97.2 | Very high | 61 Ų | 61 | 100.7 Ų | 100.7 | 43% | 0.427 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 176.7 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | H78 D79 K84 L85 E86 | H78-S82 WeakPolarHBondContact O-CB 3.39Å; H78-S82 PolarHBondContact O-N 3.19Å; D79-S82 PolarHBondContact O-N 3.49Å; S82-K84 VanDerWaalsContact C-N 3.31Å; S82-K84 PolarHBondContact O-N 3.25Å; S82-L85 PolarHBondContact O-N 3.02Å; S82-E86 WeakPolarHBondContact O-CB 3.47Å; S82-E86 PolarHBondContact O-N 2.91Å |
| 83 | R | 97 | Very high | 97.1 | Very high | 159 Ų | 159 | 106.4 Ų | 106.4 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -38.1 | 173.7 | -69 | 173.6 | -168.8 | 156.8 | 8.4 | 112.5 | D79 H80 N87 | D79-R83 VanDerWaalsContact O-CG 3.31Å; D79-R83 WeakPolarHBondContact O-CG 3.25Å; D79-R83 PolarHBondContact O-N 2.86Å; H80-R83 PolarHBondContact O-N 3.32Å; R83-N87 WeakPolarHBondContact O-CB 3.39Å; R83-N87 VanDerWaalsContact O-CG 3.3Å; R83-N87 PolarHBondContact O-N 3.09Å; R83-N87 PolarHBondContact O-ND2 3.43Å; R83-N87 VanDerWaalsContact O-ND2 3.09Å |
| 84 | K | 97.8 | Very high | 97 | Very high | 117 Ų | 117 | 105.2 Ų | 105.2 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 176.7 | -173.6 | 177 | -178.9 | 179.2 | 0 | 111.5 | H80 H81 S82 N87 L88 | H80-K84 WeakPolarHBondContact O-CB 3.31Å; H80-K84 PolarHBondContact O-N 3.43Å; H81-K84 PolarHBondContact O-N 3.37Å; S82-K84 VanDerWaalsContact C-N 3.31Å; S82-K84 PolarHBondContact O-N 3.25Å; K84-N87 PolarHBondContact O-N 3.21Å; K84-L88 HydrophobicContact CG-CD1 4.48Å; K84-L88 WeakPolarHBondContact O-CG 3.48Å; K84-L88 PolarHBondContact O-N 3.02Å |
| 85 | L | 97.4 | Very high | 97 | Very high | 100 Ų | 100 | 104.3 Ų | 104.3 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 177 | -173.7 | 69.4 | 0 | 0 | 0 | 111 | H81 S82 N87 L88 N89 | H81-L85 WeakPolarHBondContact O-CB 3.43Å; H81-L85 PolarHBondContact O-N 3.46Å; S82-L85 PolarHBondContact O-N 3.02Å; L85-N87 PolarHBondContact O-N 2.76Å; L85-L88 PolarHBondContact O-N 3.49Å; L85-N89 PolarHBondContact O-N 2.89Å |
| 86 | E | 97.5 | Very high | 97 | Very high | 106 Ų | 106 | 102.5 Ų | 102.5 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 175.3 | -176.3 | 174.9 | -163.1 | 0 | 0 | 111.4 | S82 L88 N89 H90 | S82-E86 WeakPolarHBondContact O-CB 3.47Å; S82-E86 PolarHBondContact O-N 2.91Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.99Å; E86-N89 PolarHBondContact O-N 3.24Å; E86-H90 VanDerWaalsContact CG-CE1 3.48Å; E86-H90 WeakPolarHBondContact CG-CE1 3.5Å; E86-H90 PolarHBondContact O-N 3.37Å; E86-H90 PolarHBondContact O-ND1 2.93Å; E86-H90 IonicContact OE1-CE1 2.91Å |
| 87 | N | 97 | Very high | 96.9 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 176.2 | -76.5 | -36.9 | 0 | 0 | 0 | 113.2 | R83 K84 L85 K91 | R83-N87 WeakPolarHBondContact O-CB 3.39Å; R83-N87 VanDerWaalsContact O-CG 3.3Å; R83-N87 PolarHBondContact O-N 3.09Å; R83-N87 PolarHBondContact O-ND2 3.43Å; R83-N87 VanDerWaalsContact O-ND2 3.09Å; K84-N87 PolarHBondContact O-N 3.21Å; L85-N87 PolarHBondContact O-N 2.76Å; N87-K91 WeakPolarHBondContact O-CG 3.49Å; N87-K91 PolarHBondContact O-N 3.45Å; N87-K91 VanDerWaalsContact O-N 3.08Å |
| 88 | L | 97.1 | Very high | 97 | Very high | 95 Ų | 95 | 102.8 Ų | 102.8 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 176.4 | -75.6 | 171.8 | 0 | 0 | 0 | 111.5 | K84 L85 E86 H90 K91 N92 | K84-L88 HydrophobicContact CG-CD1 4.48Å; K84-L88 WeakPolarHBondContact O-CG 3.48Å; K84-L88 PolarHBondContact O-N 3.02Å; L85-L88 PolarHBondContact O-N 3.49Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.99Å; L88-H90 PolarHBondContact O-N 3.17Å; L88-K91 PolarHBondContact O-N 3.25Å; L88-N92 WeakPolarHBondContact O-CB 3.39Å; L88-N92 PolarHBondContact O-N 2.92Å |
| 89 | N | 97.1 | Very high | 97 | Very high | 79 Ų | 79 | 101 Ų | 101 | 42% | 0.422 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.9 | -71.6 | -19.5 | 0 | 0 | 0 | 111.1 | L85 E86 K91 N92 Y93 | L85-N89 PolarHBondContact O-N 2.89Å; E86-N89 PolarHBondContact O-N 3.24Å; N89-K91 VanDerWaalsContact C-N 3.32Å; N89-K91 PolarHBondContact O-N 3.29Å; N89-N92 PolarHBondContact O-N 2.87Å; N89-N92 VanDerWaalsContact O-N 3.14Å; N89-Y93 HydrophobicContact CB-CE2 4.43Å; N89-Y93 WeakPolarHBondContact O-CD2 3.48Å; N89-Y93 PolarHBondContact O-N 3.02Å |
| 90 | H | 95.9 | Very high | 97 | Very high | 116 Ų | 116 | 103.2 Ų | 103.2 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 175.6 | -75.8 | 88.4 | 0 | 0 | 0 | 112.5 | E86 L88 S94 | E86-H90 VanDerWaalsContact CG-CE1 3.48Å; E86-H90 WeakPolarHBondContact CG-CE1 3.5Å; E86-H90 PolarHBondContact O-N 3.37Å; E86-H90 PolarHBondContact O-ND1 2.93Å; E86-H90 IonicContact OE1-CE1 2.91Å; L88-H90 PolarHBondContact O-N 3.17Å; H90-S94 WeakPolarHBondContact O-CB 3.46Å; H90-S94 PolarHBondContact O-N 3.08Å |
| 91 | K | 96.3 | Very high | 97.1 | Very high | 139 Ų | 139 | 102.7 Ų | 102.7 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 174.6 | -75.7 | 179.6 | 179.2 | -175.8 | 0 | 111.8 | N87 L88 N89 S94 Q95 | N87-K91 WeakPolarHBondContact O-CG 3.49Å; N87-K91 PolarHBondContact O-N 3.45Å; N87-K91 VanDerWaalsContact O-N 3.08Å; L88-K91 PolarHBondContact O-N 3.25Å; N89-K91 VanDerWaalsContact C-N 3.32Å; N89-K91 PolarHBondContact O-N 3.29Å; K91-S94 PolarHBondContact O-N 2.92Å; K91-Q95 WeakPolarHBondContact O-CG 3.5Å; K91-Q95 PolarHBondContact O-N 3.34Å |
| 92 | N | 96.7 | Very high | 97.2 | Very high | 84 Ų | 84 | 101.4 Ų | 101.4 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 179.2 | -159 | 56.3 | 0 | 0 | 0 | 111.1 | L88 N89 S94 Q95 D96 | L88-N92 WeakPolarHBondContact O-CB 3.39Å; L88-N92 PolarHBondContact O-N 2.92Å; N89-N92 PolarHBondContact O-N 2.87Å; N89-N92 VanDerWaalsContact O-N 3.14Å; N92-S94 VanDerWaalsContact C-N 3.31Å; N92-S94 PolarHBondContact O-N 3.04Å; N92-Q95 WeakPolarHBondContact O-CB 3.08Å; N92-Q95 PolarHBondContact O-N 3.14Å; N92-D96 PolarHBondContact O-N 3.39Å |
| 93 | Y | 95.8 | Very high | 97.2 | Very high | 175 Ų | 175 | 104.2 Ų | 104.2 | 69% | 0.686 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59 | -40.6 | 174.5 | -76.1 | -62.8 | 0 | 0 | 0 | 112.9 | N89 Q95 D96 S97 | N89-Y93 HydrophobicContact CB-CE2 4.43Å; N89-Y93 WeakPolarHBondContact O-CD2 3.48Å; N89-Y93 PolarHBondContact O-N 3.02Å; Y93-Q95 VanDerWaalsContact C-N 3.3Å; Y93-Q95 PolarHBondContact O-N 2.9Å; Y93-D96 PolarHBondContact O-N 3.19Å; Y93-S97 WeakPolarHBondContact O-CB 3.34Å; Y93-S97 PolarHBondContact O-N 3.01Å |
| 94 | S | 95.7 | Very high | 97.3 | Very high | 80 Ų | 80 | 99.6 Ų | 99.6 | 56% | 0.559 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66 | -33.2 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | H90 K91 N92 K98 | H90-S94 WeakPolarHBondContact O-CB 3.46Å; H90-S94 PolarHBondContact O-N 3.08Å; K91-S94 PolarHBondContact O-N 2.92Å; N92-S94 VanDerWaalsContact C-N 3.31Å; N92-S94 PolarHBondContact O-N 3.04Å; S94-K98 WeakPolarHBondContact O-CB 3.36Å; S94-K98 PolarHBondContact O-N 3.49Å |
| 95 | Q | 97.2 | Very high | 97.3 | Very high | 118 Ų | 118 | 98.5 Ų | 98.5 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.8 | -43.8 | 176.1 | -74.7 | 178.8 | -47.5 | 0 | 0 | 111.4 | K91 N92 Y93 S97 K98 I99 | K91-Q95 WeakPolarHBondContact O-CG 3.5Å; K91-Q95 PolarHBondContact O-N 3.34Å; N92-Q95 WeakPolarHBondContact O-CB 3.08Å; N92-Q95 PolarHBondContact O-N 3.14Å; Y93-Q95 VanDerWaalsContact C-N 3.3Å; Y93-Q95 PolarHBondContact O-N 2.9Å; Q95-S97 PolarHBondContact O-N 3.05Å; Q95-K98 WeakPolarHBondContact O-CA 3.46Å; Q95-K98 WeakPolarHBondContact O-CB 3.46Å; Q95-K98 PolarHBondContact O-N 3.48Å; Q95-I99 WeakPolarHBondContact O-CG1 3.49Å; Q95-I99 PolarHBondContact O-N 3.48Å |
| 96 | D | 97.4 | Very high | 97.4 | Very high | 69 Ų | 69 | 98.2 Ų | 98.2 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 175.9 | -67.6 | -23.9 | 0 | 0 | 0 | 110.6 | N92 Y93 K98 I99 D100 | N92-D96 PolarHBondContact O-N 3.39Å; Y93-D96 PolarHBondContact O-N 3.19Å; D96-K98 PolarHBondContact O-N 2.81Å; D96-I99 WeakPolarHBondContact O-CB 3.49Å; D96-I99 PolarHBondContact O-N 3.11Å; D96-I99 VanDerWaalsContact O-N 3.09Å; D96-D100 PolarHBondContact O-N 3.33Å |
| 97 | S | 96.6 | Very high | 97.4 | Very high | 61 Ų | 61 | 99.1 Ų | 99.1 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -34.4 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | Y93 Q95 E101 | Y93-S97 WeakPolarHBondContact O-CB 3.34Å; Y93-S97 PolarHBondContact O-N 3.01Å; Q95-S97 PolarHBondContact O-N 3.05Å; S97-E101 WeakPolarHBondContact O-CG 3.32Å; S97-E101 PolarHBondContact O-N 3.09Å |
| 98 | K | 97.8 | Very high | 97.5 | Very high | 98 Ų | 98 | 99.9 Ų | 99.9 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.4 | -34.8 | 177.9 | -174.4 | 66.1 | -156.7 | 160.8 | 0 | 112.2 | S94 Q95 D96 E101 L102 | S94-K98 WeakPolarHBondContact O-CB 3.36Å; S94-K98 PolarHBondContact O-N 3.49Å; Q95-K98 WeakPolarHBondContact O-CA 3.46Å; Q95-K98 WeakPolarHBondContact O-CB 3.46Å; Q95-K98 PolarHBondContact O-N 3.48Å; D96-K98 PolarHBondContact O-N 2.81Å; K98-E101 WeakPolarHBondContact CD-OE2 3.41Å; K98-E101 IonicContact NZ-OE2 2.64Å; K98-E101 PolarHBondContact NZ-OE2 3.09Å; K98-L102 HydrophobicContact CG-CD1 4.32Å; K98-L102 WeakPolarHBondContact O-CG 3.41Å; K98-L102 PolarHBondContact O-N 2.87Å; K98-L102 VanDerWaalsContact O-N 3.11Å |
| 99 | I | 98.3 | Very high | 97.5 | Very high | 84 Ų | 84 | 98.7 Ų | 98.7 | 43% | 0.431 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 174 | -70.1 | 165.2 | 0 | 0 | 0 | 109.1 | Q95 D96 E101 L102 E103 | Q95-I99 WeakPolarHBondContact O-CG1 3.49Å; Q95-I99 PolarHBondContact O-N 3.48Å; D96-I99 WeakPolarHBondContact O-CB 3.49Å; D96-I99 PolarHBondContact O-N 3.11Å; D96-I99 VanDerWaalsContact O-N 3.09Å; I99-E101 VanDerWaalsContact C-N 3.32Å; I99-E101 PolarHBondContact O-N 3.22Å; I99-L102 PolarHBondContact O-N 2.97Å; I99-L102 VanDerWaalsContact O-N 3.09Å; I99-E103 HydrophobicContact CG2-CG 4.29Å; I99-E103 WeakPolarHBondContact O-CG 3.46Å; I99-E103 PolarHBondContact O-N 3.18Å |
| 100 | D | 98.2 | Very high | 97.6 | Very high | 103 Ų | 103 | 103.1 Ų | 103.1 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.7 | -43 | 178.4 | -67.1 | -19.7 | 0 | 0 | 0 | 112.2 | D96 E103 A104 | D96-D100 PolarHBondContact O-N 3.33Å; D100-E103 PolarHBondContact O-N 3.4Å; D100-A104 WeakPolarHBondContact O-CB 3.31Å; D100-A104 PolarHBondContact O-N 3.4Å |
| 101 | E | 98.2 | Very high | 97.7 | Very high | 104 Ų | 104 | 101.5 Ų | 101.5 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 174.6 | -76 | 175.6 | -172.2 | 0 | 0 | 112.5 | S97 K98 I99 A104 E105 | S97-E101 WeakPolarHBondContact O-CG 3.32Å; S97-E101 PolarHBondContact O-N 3.09Å; K98-E101 WeakPolarHBondContact CD-OE2 3.41Å; K98-E101 IonicContact NZ-OE2 2.64Å; K98-E101 PolarHBondContact NZ-OE2 3.09Å; I99-E101 VanDerWaalsContact C-N 3.32Å; I99-E101 PolarHBondContact O-N 3.22Å; E101-A104 PolarHBondContact O-N 2.97Å; E101-E105 PolarHBondContact O-N 2.9Å |
| 102 | L | 98.3 | Very high | 97.8 | Very high | 82 Ų | 82 | 98.6 Ų | 98.6 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -36.8 | -179.2 | -73.5 | 171.4 | 0 | 0 | 0 | 111.7 | K98 I99 E105 L106 | K98-L102 HydrophobicContact CG-CD1 4.32Å; K98-L102 WeakPolarHBondContact O-CG 3.41Å; K98-L102 PolarHBondContact O-N 2.87Å; K98-L102 VanDerWaalsContact O-N 3.11Å; I99-L102 PolarHBondContact O-N 2.97Å; I99-L102 VanDerWaalsContact O-N 3.09Å; L102-E105 PolarHBondContact O-N 2.96Å; L102-L106 WeakPolarHBondContact O-CB 3.41Å; L102-L106 VanDerWaalsContact O-CG 3.31Å; L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 3.44Å |
| 103 | E | 98.3 | Very high | 97.9 | Very high | 120 Ų | 120 | 98.8 Ų | 98.8 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -43 | 174.8 | -73 | -173.5 | 171.2 | 0 | 0 | 111.6 | I99 D100 L106 M107 | I99-E103 HydrophobicContact CG2-CG 4.29Å; I99-E103 WeakPolarHBondContact O-CG 3.46Å; I99-E103 PolarHBondContact O-N 3.18Å; D100-E103 PolarHBondContact O-N 3.4Å; E103-L106 PolarHBondContact O-N 2.93Å; E103-M107 WeakPolarHBondContact O-CB 3.44Å; E103-M107 PolarHBondContact O-N 3.4Å |
| 104 | A | 98.4 | Very high | 98 | Very high | 62 Ų | 62 | 96.1 Ų | 96.1 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | D100 E101 M107 R108 | D100-A104 WeakPolarHBondContact O-CB 3.31Å; D100-A104 PolarHBondContact O-N 3.4Å; E101-A104 PolarHBondContact O-N 2.97Å; A104-M107 PolarHBondContact O-N 2.97Å; A104-R108 PolarHBondContact O-N 3.37Å |
| 105 | E | 98.5 | Very high | 98.1 | Very high | 94 Ų | 94 | 98.6 Ų | 98.6 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 176.7 | -177.3 | 164.4 | -153 | 0 | 0 | 112.2 | E101 L102 M107 R108 L109 | E101-E105 PolarHBondContact O-N 2.9Å; L102-E105 PolarHBondContact O-N 2.96Å; E105-M107 VanDerWaalsContact C-N 3.31Å; E105-M107 PolarHBondContact O-N 3.45Å; E105-R108 PolarHBondContact O-N 3.02Å; E105-R108 IonicContact OE1-NH2 2.66Å; E105-L109 HydrophobicContact CG-CD1 4.13Å; E105-L109 WeakPolarHBondContact O-CG 3.45Å; E105-L109 PolarHBondContact O-N 3.28Å |
| 106 | L | 98.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 97 Ų | 97 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 174.5 | -78.3 | 173.1 | 0 | 0 | 0 | 111.9 | L102 E103 L109 R110 | L102-L106 WeakPolarHBondContact O-CB 3.41Å; L102-L106 VanDerWaalsContact O-CG 3.31Å; L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 3.44Å; E103-L106 PolarHBondContact O-N 2.93Å; L106-L109 PolarHBondContact O-N 3.49Å; L106-R110 WeakPolarHBondContact O-CB 3.47Å; L106-R110 VanDerWaalsContact O-CG 3.26Å; L106-R110 WeakPolarHBondContact O-CG 3.42Å; L106-R110 PolarHBondContact O-N 2.99Å |
| 107 | M | 98.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 98.5 Ų | 98.5 | 62% | 0.616 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 176.5 | -172 | 175 | -178.7 | 0 | 0 | 111.4 | E103 A104 E105 R110 N111 | E103-M107 WeakPolarHBondContact O-CB 3.44Å; E103-M107 PolarHBondContact O-N 3.4Å; A104-M107 PolarHBondContact O-N 2.97Å; E105-M107 VanDerWaalsContact C-N 3.31Å; E105-M107 PolarHBondContact O-N 3.45Å; M107-R110 PolarHBondContact O-N 3.12Å; M107-N111 PolarHBondContact O-N 3.4Å; M107-N111 VanDerWaalsContact O-N 3.12Å |
| 108 | R | 98.3 | Very high | 98.3 | Very high | 115 Ų | 115 | 98.3 Ų | 98.3 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 175 | -176.1 | -174.2 | 63.7 | 82.6 | 1.5 | 111.5 | A104 E105 R110 N111 E112 | A104-R108 PolarHBondContact O-N 3.37Å; E105-R108 PolarHBondContact O-N 3.02Å; E105-R108 IonicContact OE1-NH2 2.66Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 3.35Å; R108-N111 PolarHBondContact O-N 3.16Å; R108-E112 IonicContact CZ-OE1 3.79Å; R108-E112 IonicContact NH1-OE1 2.63Å; R108-E112 PolarHBondContact NH1-OE1 3.04Å; R108-E112 IonicContact NH1-OE2 3.04Å; R108-E112 PolarHBondContact NH1-OE2 3.44Å; R108-E112 VanDerWaalsContact NH1-OE2 3.16Å; R108-E112 PolarHBondContact O-N 3.34Å |
| 109 | L | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 102.1 Ų | 102.1 | 37% | 0.372 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 180 | -73.6 | 171.1 | 0 | 0 | 0 | 112.6 | E105 L106 E112 C113 | E105-L109 HydrophobicContact CG-CD1 4.13Å; E105-L109 WeakPolarHBondContact O-CG 3.45Å; E105-L109 PolarHBondContact O-N 3.28Å; L106-L109 PolarHBondContact O-N 3.49Å; L109-E112 PolarHBondContact O-N 3.16Å; L109-C113 PolarHBondContact O-N 3.44Å; L109-C113 PolarHBondContact O-SG 3.38Å; L109-C113 VanDerWaalsContact O-SG 3.34Å |
| 110 | R | 98.5 | Very high | 98.3 | Very high | 172 Ų | 172 | 101.2 Ų | 101.2 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 174.3 | -77.8 | 172.3 | 177.3 | 174.1 | 1.4 | 111.9 | L106 M107 R108 C113 L114 | L106-R110 WeakPolarHBondContact O-CB 3.47Å; L106-R110 VanDerWaalsContact O-CG 3.26Å; L106-R110 WeakPolarHBondContact O-CG 3.42Å; L106-R110 PolarHBondContact O-N 2.99Å; M107-R110 PolarHBondContact O-N 3.12Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 3.35Å; R110-C113 PolarHBondContact O-N 3.39Å; R110-L114 WeakPolarHBondContact O-CG 3.47Å; R110-L114 PolarHBondContact O-N 3Å |
| 111 | N | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 100.1 Ų | 100.1 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.7 | -68.1 | -17.9 | 0 | 0 | 0 | 111.2 | M107 R108 C113 L114 E115 | M107-N111 PolarHBondContact O-N 3.4Å; M107-N111 VanDerWaalsContact O-N 3.12Å; R108-N111 PolarHBondContact O-N 3.16Å; N111-C113 PolarHBondContact O-N 2.93Å; N111-L114 WeakPolarHBondContact O-CB 3.49Å; N111-L114 PolarHBondContact O-N 2.95Å; N111-L114 VanDerWaalsContact O-N 3.16Å; N111-E115 WeakPolarHBondContact O-CG 3.39Å; N111-E115 PolarHBondContact O-N 2.61Å |
| 112 | E | 98.4 | Very high | 98.4 | Very high | 79 Ų | 79 | 100.4 Ų | 100.4 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 175.2 | -73.5 | 173.1 | -169.6 | 0 | 0 | 112.1 | R108 L109 L114 E115 V116 | R108-E112 IonicContact CZ-OE1 3.79Å; R108-E112 IonicContact NH1-OE1 2.63Å; R108-E112 PolarHBondContact NH1-OE1 3.04Å; R108-E112 IonicContact NH1-OE2 3.04Å; R108-E112 PolarHBondContact NH1-OE2 3.44Å; R108-E112 VanDerWaalsContact NH1-OE2 3.16Å; R108-E112 PolarHBondContact O-N 3.34Å; L109-E112 PolarHBondContact O-N 3.16Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 3.18Å; E112-E115 PolarHBondContact O-N 2.91Å; E112-V116 WeakPolarHBondContact O-CG2 3.4Å; E112-V116 PolarHBondContact O-N 3.47Å |
| 113 | C | 98.2 | Very high | 98.3 | Very high | 88 Ų | 88 | 100.5 Ų | 100.5 | 60% | 0.595 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -40.5 | 174.6 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | L109 R110 N111 V116 Q117 | L109-C113 PolarHBondContact O-N 3.44Å; L109-C113 PolarHBondContact O-SG 3.38Å; L109-C113 VanDerWaalsContact O-SG 3.34Å; R110-C113 PolarHBondContact O-N 3.39Å; N111-C113 PolarHBondContact O-N 2.93Å; C113-V116 PolarHBondContact O-N 2.93Å; C113-Q117 WeakPolarHBondContact O-CB 3.34Å; C113-Q117 PolarHBondContact O-N 3.38Å |
| 114 | L | 98.3 | Very high | 98.4 | Very high | 118 Ų | 118 | 97.9 Ų | 97.9 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 176.8 | -72.7 | 172.1 | 0 | 0 | 0 | 111.9 | R110 N111 E112 Q117 A118 | R110-L114 WeakPolarHBondContact O-CG 3.47Å; R110-L114 PolarHBondContact O-N 3Å; N111-L114 WeakPolarHBondContact O-CB 3.49Å; N111-L114 PolarHBondContact O-N 2.95Å; N111-L114 VanDerWaalsContact O-N 3.16Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 3.18Å; L114-Q117 PolarHBondContact O-N 3.31Å; L114-A118 PolarHBondContact O-N 2.96Å |
| 115 | E | 98.2 | Very high | 98.4 | Very high | 132 Ų | 132 | 99.3 Ų | 99.3 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 175.5 | -72.4 | 178.7 | -175.5 | 0 | 0 | 112 | N111 E112 A118 R119 | N111-E115 WeakPolarHBondContact O-CG 3.39Å; N111-E115 PolarHBondContact O-N 2.61Å; E112-E115 PolarHBondContact O-N 2.91Å; E115-A118 PolarHBondContact O-N 3.37Å; E115-R119 WeakPolarHBondContact O-CG 3.38Å; E115-R119 PolarHBondContact O-N 3.25Å |
| 116 | V | 98.3 | Very high | 98.3 | Very high | 86 Ų | 86 | 99.9 Ų | 99.9 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | E112 C113 A118 R119 V120 | E112-V116 WeakPolarHBondContact O-CG2 3.4Å; E112-V116 PolarHBondContact O-N 3.47Å; C113-V116 PolarHBondContact O-N 2.93Å; V116-A118 PolarHBondContact O-N 3.47Å; V116-R119 PolarHBondContact O-N 2.94Å; V116-V120 HydrophobicContact CG1-CG2 4.44Å; V116-V120 WeakPolarHBondContact O-CG2 3.36Å; V116-V120 PolarHBondContact O-N 3.06Å |
| 117 | Q | 98.5 | Very high | 98.3 | Very high | 99 Ų | 99 | 100 Ų | 100 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 177 | -175.3 | 60.8 | 42.7 | 0 | 0 | 111.5 | C113 L114 R119 V120 D121 | C113-Q117 WeakPolarHBondContact O-CB 3.34Å; C113-Q117 PolarHBondContact O-N 3.38Å; L114-Q117 PolarHBondContact O-N 3.31Å; Q117-R119 VanDerWaalsContact C-N 3.31Å; Q117-R119 PolarHBondContact O-N 2.7Å; Q117-V120 PolarHBondContact O-N 2.92Å; Q117-V120 VanDerWaalsContact O-N 3.16Å; Q117-D121 PolarHBondContact NE2-OD1 2.95Å; Q117-D121 VanDerWaalsContact O-CG 3.3Å; Q117-D121 PolarHBondContact O-N 3.42Å |
| 118 | A | 98.4 | Very high | 98.3 | Very high | 57 Ų | 57 | 100.6 Ų | 100.6 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L114 E115 V116 D121 E122 | L114-A118 PolarHBondContact O-N 2.96Å; E115-A118 PolarHBondContact O-N 3.37Å; V116-A118 PolarHBondContact O-N 3.47Å; A118-D121 PolarHBondContact O-N 3.38Å; A118-E122 PolarHBondContact O-N 3.01Å |
| 119 | R | 98.4 | Very high | 98.3 | Very high | 178 Ų | 178 | 100.9 Ų | 100.9 | 67% | 0.672 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 175.2 | -71.4 | 176.3 | 64.2 | -173.4 | -1.2 | 112.3 | E115 V116 Q117 E122 T123 | E115-R119 WeakPolarHBondContact O-CG 3.38Å; E115-R119 PolarHBondContact O-N 3.25Å; V116-R119 PolarHBondContact O-N 2.94Å; Q117-R119 VanDerWaalsContact C-N 3.31Å; Q117-R119 PolarHBondContact O-N 2.7Å; R119-E122 PolarHBondContact O-N 3.38Å; R119-T123 VanDerWaalsContact O-CG2 3.3Å; R119-T123 WeakPolarHBondContact O-CG2 3.38Å; R119-T123 PolarHBondContact O-N 3.13Å; R119-T123 PolarHBondContact O-OG1 2.91Å |
| 120 | V | 98.4 | Very high | 98.3 | Very high | 65 Ų | 65 | 102 Ų | 102 | 39% | 0.394 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 110 | V116 Q117 E122 T123 V124 | V116-V120 HydrophobicContact CG1-CG2 4.44Å; V116-V120 WeakPolarHBondContact O-CG2 3.36Å; V116-V120 PolarHBondContact O-N 3.06Å; Q117-V120 PolarHBondContact O-N 2.92Å; Q117-V120 VanDerWaalsContact O-N 3.16Å; V120-E122 VanDerWaalsContact C-N 3.31Å; V120-E122 PolarHBondContact O-N 3.36Å; V120-T123 WeakPolarHBondContact CA-OG1 3.3Å; V120-T123 PolarHBondContact O-N 3.16Å; V120-T123 VanDerWaalsContact O-N 3.13Å; V120-T123 PolarHBondContact O-OG1 2.88Å; V120-V124 HydrophobicContact CG1-CG2 4.4Å; V120-V124 WeakPolarHBondContact O-CG2 3.44Å; V120-V124 PolarHBondContact O-N 2.95Å |
| 121 | D | 98.3 | Very high | 98.3 | Very high | 81 Ų | 81 | 99 Ų | 99 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 178.8 | -66.8 | -21.3 | 0 | 0 | 0 | 111.7 | Q117 A118 V124 I125 | Q117-D121 PolarHBondContact NE2-OD1 2.95Å; Q117-D121 VanDerWaalsContact O-CG 3.3Å; Q117-D121 PolarHBondContact O-N 3.42Å; A118-D121 PolarHBondContact O-N 3.38Å; D121-V124 PolarHBondContact O-N 3.47Å; D121-I125 WeakPolarHBondContact O-CG1 3.44Å; D121-I125 PolarHBondContact O-N 3.14Å |
| 122 | E | 98.3 | Very high | 98.3 | Very high | 110 Ų | 110 | 101.2 Ų | 101.2 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 173.9 | -174.8 | 176.9 | -155.4 | 0 | 0 | 112 | A118 R119 V120 V124 I125 H126 | A118-E122 PolarHBondContact O-N 3.01Å; R119-E122 PolarHBondContact O-N 3.38Å; V120-E122 VanDerWaalsContact C-N 3.31Å; V120-E122 PolarHBondContact O-N 3.36Å; E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 3.41Å; E122-I125 WeakPolarHBondContact O-CB 3.43Å; E122-I125 PolarHBondContact O-N 2.91Å; E122-H126 PolarHBondContact O-CD2 3.15Å; E122-H126 PolarHBondContact O-N 3.02Å; E122-H126 IonicContact OE1-NE2 2.89Å |
| 123 | T | 98 | Very high | 98.3 | Very high | 84 Ų | 84 | 100.2 Ų | 100.2 | 52% | 0.515 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 177.1 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | R119 V120 H126 L127 | R119-T123 VanDerWaalsContact O-CG2 3.3Å; R119-T123 WeakPolarHBondContact O-CG2 3.38Å; R119-T123 PolarHBondContact O-N 3.13Å; R119-T123 PolarHBondContact O-OG1 2.91Å; V120-T123 WeakPolarHBondContact CA-OG1 3.3Å; V120-T123 PolarHBondContact O-N 3.16Å; V120-T123 VanDerWaalsContact O-N 3.13Å; V120-T123 PolarHBondContact O-OG1 2.88Å; T123-H126 PolarHBondContact O-N 3.4Å; T123-L127 WeakPolarHBondContact O-CB 3.49Å; T123-L127 PolarHBondContact O-N 3.41Å |
| 124 | V | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 102 Ų | 102 | 39% | 0.394 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 175.1 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | V120 D121 E122 L127 K128 | V120-V124 HydrophobicContact CG1-CG2 4.4Å; V120-V124 WeakPolarHBondContact O-CG2 3.44Å; V120-V124 PolarHBondContact O-N 2.95Å; D121-V124 PolarHBondContact O-N 3.47Å; E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 3.41Å; V124-L127 PolarHBondContact O-N 3.22Å; V124-K128 WeakPolarHBondContact O-CG 3.49Å; V124-K128 PolarHBondContact O-N 3.34Å; V124-K128 VanDerWaalsContact O-N 3.14Å |
| 125 | I | 98.3 | Very high | 98.3 | Very high | 91 Ų | 91 | 100.7 Ų | 100.7 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 174.4 | -69.1 | 165.4 | 0 | 0 | 0 | 110.2 | D121 E122 L127 K128 H129 | D121-I125 WeakPolarHBondContact O-CG1 3.44Å; D121-I125 PolarHBondContact O-N 3.14Å; E122-I125 WeakPolarHBondContact O-CB 3.43Å; E122-I125 PolarHBondContact O-N 2.91Å; I125-L127 PolarHBondContact O-N 3.5Å; I125-K128 PolarHBondContact O-N 2.88Å; I125-H129 VanDerWaalsContact CG2-CE1 3.48Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.37Å; I125-H129 PolarHBondContact O-N 3.35Å; I125-H129 VanDerWaalsContact O-N 3.17Å; I125-H129 PolarHBondContact O-ND1 3.19Å |
| 126 | H | 98.1 | Very high | 98.3 | Very high | 107 Ų | 107 | 97 Ų | 97 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 177.4 | -75.7 | -53 | 0 | 0 | 0 | 112.8 | E122 T123 K128 H129 V130 | E122-H126 PolarHBondContact O-CD2 3.15Å; E122-H126 PolarHBondContact O-N 3.02Å; E122-H126 IonicContact OE1-NE2 2.89Å; T123-H126 PolarHBondContact O-N 3.4Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.38Å; H126-H129 WeakPolarHBondContact O-CB 3.33Å; H126-H129 PolarHBondContact O-N 3.34Å; H126-H129 VanDerWaalsContact O-N 3.15Å; H126-V130 WeakPolarHBondContact O-CG2 3.44Å; H126-V130 PolarHBondContact O-N 2.95Å |
| 127 | L | 98.2 | Very high | 98.3 | Very high | 97 Ų | 97 | 95 Ų | 95 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 177.3 | -177.8 | 62.2 | 0 | 0 | 0 | 111.2 | T123 V124 I125 H129 V130 E131 | T123-L127 WeakPolarHBondContact O-CB 3.49Å; T123-L127 PolarHBondContact O-N 3.41Å; V124-L127 PolarHBondContact O-N 3.22Å; I125-L127 PolarHBondContact O-N 3.5Å; L127-H129 VanDerWaalsContact C-N 3.31Å; L127-H129 PolarHBondContact O-N 3.17Å; L127-V130 PolarHBondContact O-N 3.02Å; L127-V130 VanDerWaalsContact O-N 3.14Å; L127-E131 HydrophobicContact CD1-CG 4.47Å; L127-E131 WeakPolarHBondContact O-CG 3.48Å; L127-E131 PolarHBondContact O-N 2.87Å |
| 128 | K | 98.3 | Very high | 98.3 | Very high | 137 Ų | 137 | 94.8 Ų | 94.8 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59 | -40.5 | 176.1 | -71.4 | 176.4 | 179.5 | 178.5 | 0 | 112.6 | V124 I125 H126 E131 F132 | V124-K128 WeakPolarHBondContact O-CG 3.49Å; V124-K128 PolarHBondContact O-N 3.34Å; V124-K128 VanDerWaalsContact O-N 3.14Å; I125-K128 PolarHBondContact O-N 2.88Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.38Å; K128-E131 PolarHBondContact O-N 3.32Å; K128-F132 WeakPolarHBondContact O-CB 3.41Å; K128-F132 PolarHBondContact O-N 3.14Å |
| 129 | H | 98.2 | Very high | 98.3 | Very high | 120 Ų | 120 | 97.5 Ų | 97.5 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 176 | -73.2 | 94.8 | 0 | 0 | 0 | 112 | I125 H126 L127 F132 A133 | I125-H129 VanDerWaalsContact CG2-CE1 3.48Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.37Å; I125-H129 PolarHBondContact O-N 3.35Å; I125-H129 VanDerWaalsContact O-N 3.17Å; I125-H129 PolarHBondContact O-ND1 3.19Å; H126-H129 WeakPolarHBondContact O-CB 3.33Å; H126-H129 PolarHBondContact O-N 3.34Å; H126-H129 VanDerWaalsContact O-N 3.15Å; L127-H129 VanDerWaalsContact C-N 3.31Å; L127-H129 PolarHBondContact O-N 3.17Å; H129-F132 PolarHBondContact O-N 3.43Å; H129-A133 WeakPolarHBondContact O-CB 3.35Å; H129-A133 PolarHBondContact O-N 3.05Å |
| 130 | V | 98.4 | Very high | 98.3 | Very high | 96 Ų | 96 | 97.3 Ų | 97.3 | 58% | 0.582 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 111 | H126 L127 A133 K134 | H126-V130 WeakPolarHBondContact O-CG2 3.44Å; H126-V130 PolarHBondContact O-N 2.95Å; L127-V130 PolarHBondContact O-N 3.02Å; L127-V130 VanDerWaalsContact O-N 3.14Å; V130-A133 PolarHBondContact O-N 3.34Å; V130-K134 WeakPolarHBondContact O-CB 3.21Å; V130-K134 PolarHBondContact O-N 2.78Å |
| 131 | E | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 96.5 Ų | 96.5 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.3 | -72.9 | 174.9 | 161.1 | 0 | 0 | 111.6 | L127 K128 A133 K134 E135 | L127-E131 HydrophobicContact CD1-CG 4.47Å; L127-E131 WeakPolarHBondContact O-CG 3.48Å; L127-E131 PolarHBondContact O-N 2.87Å; K128-E131 PolarHBondContact O-N 3.32Å; E131-A133 PolarHBondContact O-N 3.32Å; E131-K134 WeakPolarHBondContact O-CB 3.21Å; E131-K134 PolarHBondContact O-N 3.5Å; E131-E135 PolarHBondContact O-N 3.2Å |
| 132 | F | 98.4 | Very high | 98.2 | Very high | 127 Ų | 127 | 97.5 Ų | 97.5 | 56% | 0.557 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 175.9 | -178.4 | -103.4 | 0 | 0 | 0 | 112.5 | K128 H129 K134 E135 N136 | K128-F132 WeakPolarHBondContact O-CB 3.41Å; K128-F132 PolarHBondContact O-N 3.14Å; H129-F132 PolarHBondContact O-N 3.43Å; F132-K134 VanDerWaalsContact C-N 3.33Å; F132-K134 PolarHBondContact O-N 3.29Å; F132-E135 PolarHBondContact O-N 3.45Å; F132-N136 WeakPolarHBondContact CD1-ND2 2.9Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.35Å; F132-N136 WeakPolarHBondContact CZ-ND2 3.47Å; F132-N136 PolarHBondContact O-N 2.93Å; F132-N136 VanDerWaalsContact O-N 3.08Å; F132-N136 PolarHBondContact O-ND2 2.9Å |
| 133 | A | 98.3 | Very high | 98.2 | Very high | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H129 V130 E131 N136 A137 | H129-A133 WeakPolarHBondContact O-CB 3.35Å; H129-A133 PolarHBondContact O-N 3.05Å; V130-A133 PolarHBondContact O-N 3.34Å; E131-A133 PolarHBondContact O-N 3.32Å; A133-N136 PolarHBondContact O-N 2.66Å; A133-A137 WeakPolarHBondContact O-CB 3.45Å; A133-A137 PolarHBondContact O-N 2.9Å |
| 134 | K | 98.4 | Very high | 98.2 | Very high | 127 Ų | 127 | 95.5 Ų | 95.5 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -50 | 174.7 | 178.5 | -173.7 | 166.3 | -173.6 | 0 | 111.1 | V130 E131 F132 N136 A137 E138 | V130-K134 WeakPolarHBondContact O-CB 3.21Å; V130-K134 PolarHBondContact O-N 2.78Å; E131-K134 WeakPolarHBondContact O-CB 3.21Å; E131-K134 PolarHBondContact O-N 3.5Å; F132-K134 VanDerWaalsContact C-N 3.33Å; F132-K134 PolarHBondContact O-N 3.29Å; K134-N136 VanDerWaalsContact C-N 3.28Å; K134-N136 PolarHBondContact O-N 3.49Å; K134-A137 WeakPolarHBondContact O-CB 3.42Å; K134-A137 PolarHBondContact O-N 2.91Å; K134-E138 WeakPolarHBondContact CE-OE1 3.4Å; K134-E138 IonicContact NZ-OE1 2.81Å; K134-E138 PolarHBondContact O-N 3.08Å |
| 135 | E | 98.5 | Very high | 98.2 | Very high | 90 Ų | 90 | 97.7 Ų | 97.7 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 179.1 | -169.7 | -167.8 | 161.2 | 0 | 0 | 111.5 | E131 F132 E138 K139 | E131-E135 PolarHBondContact O-N 3.2Å; F132-E135 PolarHBondContact O-N 3.45Å; E135-E138 PolarHBondContact O-N 2.95Å; E135-K139 WeakPolarHBondContact O-CG 3.01Å; E135-K139 PolarHBondContact O-N 2.96Å; E135-K139 WeakPolarHBondContact OE1-CE 3.42Å; E135-K139 IonicContact OE1-NZ 3.69Å; E135-K139 PolarHBondContact OE1-NZ 3.47Å |
| 136 | N | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 96.2 Ų | 96.2 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.7 | -33.5 | 176.3 | -72.8 | -34.1 | 0 | 0 | 0 | 113.2 | F132 A133 K134 R140 | F132-N136 WeakPolarHBondContact CD1-ND2 2.9Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.35Å; F132-N136 WeakPolarHBondContact CZ-ND2 3.47Å; F132-N136 PolarHBondContact O-N 2.93Å; F132-N136 VanDerWaalsContact O-N 3.08Å; F132-N136 PolarHBondContact O-ND2 2.9Å; A133-N136 PolarHBondContact O-N 2.66Å; K134-N136 VanDerWaalsContact C-N 3.28Å; K134-N136 PolarHBondContact O-N 3.49Å; N136-R140 WeakPolarHBondContact O-CG 3.47Å; N136-R140 PolarHBondContact O-N 2.89Å; N136-R140 VanDerWaalsContact O-N 3.14Å; N136-R140 PolarHBondContact O-NE 3.26Å |
| 137 | A | 98.2 | Very high | 98.1 | Very high | 43 Ų | 43 | 97.7 Ų | 97.7 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A133 K134 R140 A141 | A133-A137 WeakPolarHBondContact O-CB 3.45Å; A133-A137 PolarHBondContact O-N 2.9Å; K134-A137 WeakPolarHBondContact O-CB 3.42Å; K134-A137 PolarHBondContact O-N 2.91Å; A137-R140 PolarHBondContact O-N 3.2Å; A137-A141 WeakPolarHBondContact O-CB 3.37Å; A137-A141 PolarHBondContact O-N 3.36Å |
| 138 | E | 98.2 | Very high | 98.1 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.2 | -72.5 | 175.1 | 174.6 | 0 | 0 | 111.8 | K134 E135 R140 A141 N142 | K134-E138 WeakPolarHBondContact CE-OE1 3.4Å; K134-E138 IonicContact NZ-OE1 2.81Å; K134-E138 PolarHBondContact O-N 3.08Å; E135-E138 PolarHBondContact O-N 2.95Å; E138-R140 VanDerWaalsContact C-N 3.31Å; E138-R140 PolarHBondContact O-N 3.38Å; E138-A141 PolarHBondContact O-N 3.14Å; E138-N142 VanDerWaalsContact O-CG 3.29Å; E138-N142 PolarHBondContact O-N 3.47Å |
| 139 | K | 98.2 | Very high | 98.1 | Very high | 114 Ų | 114 | 95 Ų | 95 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 174.1 | -74.9 | 174.3 | -174.6 | 165.5 | 0 | 112.4 | E135 A143 | E135-K139 WeakPolarHBondContact O-CG 3.01Å; E135-K139 PolarHBondContact O-N 2.96Å; E135-K139 WeakPolarHBondContact OE1-CE 3.42Å; E135-K139 IonicContact OE1-NZ 3.69Å; E135-K139 PolarHBondContact OE1-NZ 3.47Å; K139-A143 WeakPolarHBondContact O-CB 3.35Å; K139-A143 PolarHBondContact O-N 3.06Å |
| 140 | R | 97.9 | Very high | 98.1 | Very high | 173 Ų | 173 | 93.6 Ų | 93.6 | 65% | 0.653 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.4 | -43 | 176.4 | -74.9 | -175.2 | -63.6 | 171.7 | 2.5 | 111.8 | N136 A137 E138 A143 T144 | N136-R140 WeakPolarHBondContact O-CG 3.47Å; N136-R140 PolarHBondContact O-N 2.89Å; N136-R140 VanDerWaalsContact O-N 3.14Å; N136-R140 PolarHBondContact O-NE 3.26Å; A137-R140 PolarHBondContact O-N 3.2Å; E138-R140 VanDerWaalsContact C-N 3.31Å; E138-R140 PolarHBondContact O-N 3.38Å; R140-A143 PolarHBondContact O-N 3.32Å; R140-T144 WeakPolarHBondContact O-CG2 3.43Å; R140-T144 PolarHBondContact O-N 2.68Å; R140-T144 PolarHBondContact O-OG1 2.93Å; R140-T144 VanDerWaalsContact O-OG1 3.13Å |
| 141 | A | 98.1 | Very high | 98 | Very high | 48 Ų | 48 | 93.4 Ų | 93.4 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A137 E138 A143 T144 E145 | A137-A141 WeakPolarHBondContact O-CB 3.37Å; A137-A141 PolarHBondContact O-N 3.36Å; E138-A141 PolarHBondContact O-N 3.14Å; A141-A143 VanDerWaalsContact C-N 3.34Å; A141-A143 PolarHBondContact O-N 3.13Å; A141-T144 WeakPolarHBondContact CA-OG1 3.49Å; A141-T144 PolarHBondContact O-N 2.84Å; A141-T144 VanDerWaalsContact O-N 3.16Å; A141-T144 PolarHBondContact O-OG1 2.95Å; A141-E145 WeakPolarHBondContact O-CB 3.48Å; A141-E145 PolarHBondContact O-N 3.16Å |
| 142 | N | 98 | Very high | 97.9 | Very high | 102 Ų | 102 | 93.9 Ų | 93.9 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 177.6 | -67.3 | -9.2 | 0 | 0 | 0 | 112.1 | E138 E145 S146 | E138-N142 VanDerWaalsContact O-CG 3.29Å; E138-N142 PolarHBondContact O-N 3.47Å; N142-E145 PolarHBondContact O-N 3.33Å; N142-S146 WeakPolarHBondContact O-CB 3.43Å; N142-S146 PolarHBondContact O-N 3.4Å |
| 143 | A | 97.8 | Very high | 97.8 | Very high | 65 Ų | 65 | 91.5 Ų | 91.5 | 54% | 0.537 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K139 R140 A141 K147 | K139-A143 WeakPolarHBondContact O-CB 3.35Å; K139-A143 PolarHBondContact O-N 3.06Å; R140-A143 PolarHBondContact O-N 3.32Å; A141-A143 VanDerWaalsContact C-N 3.34Å; A141-A143 PolarHBondContact O-N 3.13Å; A143-K147 PolarHBondContact O-N 2.95Å; A143-K147 VanDerWaalsContact O-N 3.15Å |
| 144 | T | 97.4 | Very high | 97.7 | Very high | 88 Ų | 88 | 94.5 Ų | 94.5 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 174.6 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | R140 A141 K147 V148 | R140-T144 WeakPolarHBondContact O-CG2 3.43Å; R140-T144 PolarHBondContact O-N 2.68Å; R140-T144 PolarHBondContact O-OG1 2.93Å; R140-T144 VanDerWaalsContact O-OG1 3.13Å; A141-T144 WeakPolarHBondContact CA-OG1 3.49Å; A141-T144 PolarHBondContact O-N 2.84Å; A141-T144 VanDerWaalsContact O-N 3.16Å; A141-T144 PolarHBondContact O-OG1 2.95Å; T144-K147 PolarHBondContact O-N 2.94Å; T144-V148 WeakPolarHBondContact O-CG2 3.33Å; T144-V148 PolarHBondContact O-N 3.36Å |
| 145 | E | 97.8 | Very high | 97.6 | Very high | 110 Ų | 110 | 94.1 Ų | 94.1 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 177.9 | -173 | 174.4 | -170.9 | 0 | 0 | 111.4 | A141 N142 K147 V148 Q149 | A141-E145 WeakPolarHBondContact O-CB 3.48Å; A141-E145 PolarHBondContact O-N 3.16Å; N142-E145 PolarHBondContact O-N 3.33Å; E145-K147 VanDerWaalsContact C-N 3.3Å; E145-K147 PolarHBondContact O-N 3.14Å; E145-V148 PolarHBondContact O-N 3.36Å; E145-V148 VanDerWaalsContact O-N 3.14Å; E145-Q149 WeakPolarHBondContact O-CG 3.47Å; E145-Q149 PolarHBondContact O-N 2.84Å |
| 146 | S | 98 | Very high | 97.5 | Very high | 60 Ų | 60 | 93.5 Ų | 93.5 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.9 | -42.6 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 112 | N142 V148 Q149 D150 | N142-S146 WeakPolarHBondContact O-CB 3.43Å; N142-S146 PolarHBondContact O-N 3.4Å; S146-V148 VanDerWaalsContact C-N 3.33Å; S146-V148 PolarHBondContact O-N 3.28Å; S146-Q149 PolarHBondContact O-N 3.38Å; S146-D150 PolarHBondContact O-N 3.47Å |
| 147 | K | 97.8 | Very high | 97.4 | Very high | 138 Ų | 138 | 94.1 Ų | 94.1 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.4 | -35.8 | 177.9 | -170.9 | 175.1 | -179.3 | 177.2 | 0 | 112.3 | A143 T144 E145 L151 | A143-K147 PolarHBondContact O-N 2.95Å; A143-K147 VanDerWaalsContact O-N 3.15Å; T144-K147 PolarHBondContact O-N 2.94Å; E145-K147 VanDerWaalsContact C-N 3.3Å; E145-K147 PolarHBondContact O-N 3.14Å; K147-L151 HydrophobicContact CG-CD1 4.39Å; K147-L151 WeakPolarHBondContact O-CB 3.49Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.43Å; K147-L151 PolarHBondContact O-N 2.91Å |
| 148 | V | 97.9 | Very high | 97.3 | Very high | 73 Ų | 73 | 96 Ų | 96 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 174.7 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | T144 E145 S146 D150 L151 E152 | T144-V148 WeakPolarHBondContact O-CG2 3.33Å; T144-V148 PolarHBondContact O-N 3.36Å; E145-V148 PolarHBondContact O-N 3.36Å; E145-V148 VanDerWaalsContact O-N 3.14Å; S146-V148 VanDerWaalsContact C-N 3.33Å; S146-V148 PolarHBondContact O-N 3.28Å; V148-D150 VanDerWaalsContact C-N 3.33Å; V148-D150 PolarHBondContact O-N 3.15Å; V148-L151 PolarHBondContact O-N 3.02Å; V148-L151 VanDerWaalsContact O-N 3.14Å; V148-E152 HydrophobicContact CG1-CG 4.3Å; V148-E152 WeakPolarHBondContact O-CG 3.49Å; V148-E152 PolarHBondContact O-N 3.44Å |
| 149 | Q | 97.8 | Very high | 97.2 | Very high | 104 Ų | 104 | 94.4 Ų | 94.4 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.7 | -71.2 | 178.3 | -1 | 0 | 0 | 112.7 | E145 S146 E152 S153 | E145-Q149 WeakPolarHBondContact O-CG 3.47Å; E145-Q149 PolarHBondContact O-N 2.84Å; S146-Q149 PolarHBondContact O-N 3.38Å; Q149-E152 PolarHBondContact O-N 2.85Å; Q149-S153 WeakPolarHBondContact O-CB 3.29Å; Q149-S153 PolarHBondContact O-N 2.86Å; Q149-S153 PolarHBondContact O-OG 3.07Å |
| 150 | D | 97.3 | Very high | 97.1 | Very high | 92 Ų | 92 | 93.9 Ų | 93.9 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.9 | -74 | -20.2 | 0 | 0 | 0 | 111.5 | S146 V148 S153 Q154 | S146-D150 PolarHBondContact O-N 3.47Å; V148-D150 VanDerWaalsContact C-N 3.33Å; V148-D150 PolarHBondContact O-N 3.15Å; D150-S153 PolarHBondContact O-N 2.92Å; D150-Q154 WeakPolarHBondContact O-CB 3.37Å; D150-Q154 VanDerWaalsContact O-CG 3.3Å; D150-Q154 WeakPolarHBondContact O-CG 3.47Å; D150-Q154 PolarHBondContact O-N 2.98Å |
| 151 | L | 97.1 | Very high | 97 | Very high | 92 Ų | 92 | 87.7 Ų | 87.7 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.9 | -74.5 | 171 | 0 | 0 | 0 | 112.3 | K147 V148 S153 Q154 H155 | K147-L151 HydrophobicContact CG-CD1 4.39Å; K147-L151 WeakPolarHBondContact O-CB 3.49Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.43Å; K147-L151 PolarHBondContact O-N 2.91Å; V148-L151 PolarHBondContact O-N 3.02Å; V148-L151 VanDerWaalsContact O-N 3.14Å; L151-S153 VanDerWaalsContact C-N 3.33Å; L151-Q154 PolarHBondContact O-N 3.36Å; L151-H155 VanDerWaalsContact O-CB 3.31Å; L151-H155 WeakPolarHBondContact O-CB 3.31Å; L151-H155 PolarHBondContact O-N 3.01Å |
| 152 | E | 97 | Very high | 96.8 | Very high | 118 Ų | 118 | 90.3 Ų | 90.3 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 174.9 | -74 | 176.7 | 165.1 | 0 | 0 | 111.4 | V148 Q149 H155 T156 | V148-E152 HydrophobicContact CG1-CG 4.3Å; V148-E152 WeakPolarHBondContact O-CG 3.49Å; V148-E152 PolarHBondContact O-N 3.44Å; Q149-E152 PolarHBondContact O-N 2.85Å; E152-H155 PolarHBondContact O-N 3.14Å; E152-T156 WeakPolarHBondContact O-CB 3.3Å; E152-T156 PolarHBondContact O-N 3.38Å; E152-T156 PolarHBondContact O-OG1 2.9Å |
| 153 | S | 96.2 | Very high | 96.7 | Very high | 78 Ų | 78 | 92.7 Ų | 92.7 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 175.4 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | Q149 D150 L151 T156 S157 | Q149-S153 WeakPolarHBondContact O-CB 3.29Å; Q149-S153 PolarHBondContact O-N 2.86Å; Q149-S153 PolarHBondContact O-OG 3.07Å; D150-S153 PolarHBondContact O-N 2.92Å; L151-S153 VanDerWaalsContact C-N 3.33Å; S153-T156 PolarHBondContact O-N 3.31Å; S153-S157 WeakPolarHBondContact O-CB 3.48Å; S153-S157 PolarHBondContact O-N 3.37Å |
| 154 | Q | 96.2 | Very high | 96.4 | Very high | 119 Ų | 119 | 97.3 Ų | 97.3 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | 174.4 | -74.2 | 177 | 7.6 | 0 | 0 | 112.1 | D150 L151 S157 T158 | D150-Q154 WeakPolarHBondContact O-CB 3.37Å; D150-Q154 VanDerWaalsContact O-CG 3.3Å; D150-Q154 WeakPolarHBondContact O-CG 3.47Å; D150-Q154 PolarHBondContact O-N 2.98Å; L151-Q154 PolarHBondContact O-N 3.36Å; Q154-S157 PolarHBondContact O-N 2.8Å; Q154-T158 WeakPolarHBondContact O-CB 3.34Å; Q154-T158 WeakPolarHBondContact O-CG2 3.45Å; Q154-T158 PolarHBondContact O-N 3.12Å; Q154-T158 PolarHBondContact O-OG1 3.32Å |
| 155 | H | 96.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 95.3 Ų | 95.3 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 177.6 | -174.3 | 61.2 | 0 | 0 | 0 | 111.3 | L151 E152 S157 T158 L159 | L151-H155 VanDerWaalsContact O-CB 3.31Å; L151-H155 WeakPolarHBondContact O-CB 3.31Å; L151-H155 PolarHBondContact O-N 3.01Å; E152-H155 PolarHBondContact O-N 3.14Å; H155-S157 PolarHBondContact O-N 3.37Å; H155-T158 WeakPolarHBondContact CA-OG1 3.24Å; H155-T158 PolarHBondContact O-N 3.39Å; H155-T158 PolarHBondContact O-OG1 3.49Å; H155-L159 VanDerWaalsContact O-CB 3.24Å; H155-L159 WeakPolarHBondContact O-CB 3.36Å; H155-L159 PolarHBondContact O-N 2.96Å |
| 156 | T | 96.7 | Very high | 95.8 | Very high | 76 Ų | 76 | 95 Ų | 95 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | E152 S153 T158 L159 E160 | E152-T156 WeakPolarHBondContact O-CB 3.3Å; E152-T156 PolarHBondContact O-N 3.38Å; E152-T156 PolarHBondContact O-OG1 2.9Å; S153-T156 PolarHBondContact O-N 3.31Å; T156-T158 PolarHBondContact O-N 3.49Å; T156-L159 PolarHBondContact O-N 3.41Å; T156-E160 WeakPolarHBondContact O-CG 3.44Å; T156-E160 PolarHBondContact O-N 2.94Å |
| 157 | S | 96.1 | Very high | 95.4 | Very high | 67 Ų | 67 | 97.3 Ų | 97.3 | 47% | 0.469 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 177.4 | -179 | 0 | 0 | 0 | 0 | 113 | S153 Q154 H155 E160 A161 | S153-S157 WeakPolarHBondContact O-CB 3.48Å; S153-S157 PolarHBondContact O-N 3.37Å; Q154-S157 PolarHBondContact O-N 2.8Å; H155-S157 PolarHBondContact O-N 3.37Å; S157-E160 PolarHBondContact O-N 3.48Å; S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 2.88Å |
| 158 | T | 95.4 | Very high | 94.9 | Very high | 83 Ų | 83 | 92.9 Ų | 92.9 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.6 | -36.7 | 177.5 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | Q154 H155 T156 A161 L162 | Q154-T158 WeakPolarHBondContact O-CB 3.34Å; Q154-T158 WeakPolarHBondContact O-CG2 3.45Å; Q154-T158 PolarHBondContact O-N 3.12Å; Q154-T158 PolarHBondContact O-OG1 3.32Å; H155-T158 WeakPolarHBondContact CA-OG1 3.24Å; H155-T158 PolarHBondContact O-N 3.39Å; H155-T158 PolarHBondContact O-OG1 3.49Å; T156-T158 PolarHBondContact O-N 3.49Å; T158-A161 PolarHBondContact O-N 2.91Å; T158-L162 WeakPolarHBondContact O-CB 3.38Å; T158-L162 PolarHBondContact O-N 3.41Å |
| 159 | L | 96.5 | Very high | 94.3 | Very high | 62 Ų | 62 | 94.2 Ų | 94.2 | 33% | 0.325 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 175 | -170.3 | 146.5 | 0 | 0 | 0 | 112 | H155 T156 L162 R163 | H155-L159 VanDerWaalsContact O-CB 3.24Å; H155-L159 WeakPolarHBondContact O-CB 3.36Å; H155-L159 PolarHBondContact O-N 2.96Å; T156-L159 PolarHBondContact O-N 3.41Å; L159-L162 PolarHBondContact O-N 2.91Å; L159-R163 WeakPolarHBondContact O-CG 3.43Å; L159-R163 PolarHBondContact O-N 3.38Å |
| 160 | E | 96 | Very high | 93.7 | Very high | 103 Ų | 103 | 94.6 Ų | 94.6 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67 | -37 | 172.1 | -73.5 | 179.7 | 177.7 | 0 | 0 | 113 | T156 S157 R164 | T156-E160 WeakPolarHBondContact O-CG 3.44Å; T156-E160 PolarHBondContact O-N 2.94Å; S157-E160 PolarHBondContact O-N 3.48Å; E160-R164 WeakPolarHBondContact O-CG 3.44Å; E160-R164 PolarHBondContact O-N 3.03Å; E160-R164 VanDerWaalsContact O-N 3.12Å; E160-R164 PolarHBondContact O-NE 2.87Å |
| 161 | A | 95.2 | Very high | 92.9 | Very high | 44 Ų | 44 | 96.6 Ų | 96.6 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S157 T158 R164 A165 | S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 2.88Å; T158-A161 PolarHBondContact O-N 2.91Å; A161-R164 PolarHBondContact O-N 3.48Å; A161-A165 PolarHBondContact O-N 3.11Å |
| 162 | L | 95.4 | Very high | 92 | Very high | 103 Ų | 103 | 99.4 Ų | 99.4 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 175.7 | -176.7 | 65.5 | 0 | 0 | 0 | 111.1 | T158 L159 R164 A165 E166 | T158-L162 WeakPolarHBondContact O-CB 3.38Å; T158-L162 PolarHBondContact O-N 3.41Å; L159-L162 PolarHBondContact O-N 2.91Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3Å; L162-A165 WeakPolarHBondContact O-CB 3.48Å; L162-A165 PolarHBondContact O-N 2.88Å; L162-A165 VanDerWaalsContact O-N 3.1Å; L162-E166 WeakPolarHBondContact O-CG 3.48Å; L162-E166 PolarHBondContact O-N 2.96Å |
| 163 | R | 94.3 | Very high | 90.9 | Very high | 151 Ų | 151 | 99.5 Ų | 99.5 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.8 | -38.5 | 176.2 | -76.1 | 176.6 | 175.1 | 169.5 | 0.8 | 112.8 | L159 L167 | L159-R163 WeakPolarHBondContact O-CG 3.43Å; L159-R163 PolarHBondContact O-N 3.38Å; R163-L167 WeakPolarHBondContact O-CG 3.48Å; R163-L167 PolarHBondContact O-N 3.1Å; R163-L167 VanDerWaalsContact O-N 3.11Å |
| 164 | R | 93 | Very high | 90.2 | Very high | 162 Ų | 162 | 99 Ų | 99 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.8 | -40.7 | 175.8 | -78.4 | -176.3 | -75.9 | 163.5 | -7.4 | 112.2 | E160 A161 L162 L167 S168 | E160-R164 WeakPolarHBondContact O-CG 3.44Å; E160-R164 PolarHBondContact O-N 3.03Å; E160-R164 VanDerWaalsContact O-N 3.12Å; E160-R164 PolarHBondContact O-NE 2.87Å; A161-R164 PolarHBondContact O-N 3.48Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3Å; R164-L167 PolarHBondContact O-N 3.25Å; R164-S168 WeakPolarHBondContact O-CB 3.35Å; R164-S168 PolarHBondContact O-N 3.29Å |
| 165 | A | 91.9 | Very high | 89.4 | Confident | 47 Ų | 47 | 96.3 Ų | 96.3 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A161 L162 L167 S168 D169 | A161-A165 PolarHBondContact O-N 3.11Å; L162-A165 WeakPolarHBondContact O-CB 3.48Å; L162-A165 PolarHBondContact O-N 2.88Å; L162-A165 VanDerWaalsContact O-N 3.1Å; A165-L167 VanDerWaalsContact C-N 3.33Å; A165-L167 PolarHBondContact O-N 2.88Å; A165-S168 WeakPolarHBondContact O-CB 3.27Å; A165-S168 PolarHBondContact O-N 3.11Å; A165-S168 VanDerWaalsContact O-N 3.11Å; A165-D169 PolarHBondContact O-N 3.36Å |
| 166 | E | 90.4 | Very high | 88.5 | Confident | 103 Ų | 103 | 94.8 Ų | 94.8 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.1 | -43 | 176.5 | -71.5 | 174.4 | 160.6 | 0 | 0 | 112.2 | L162 D169 I170 | L162-E166 WeakPolarHBondContact O-CG 3.48Å; L162-E166 PolarHBondContact O-N 2.96Å; E166-D169 PolarHBondContact O-N 3.47Å; E166-I170 WeakPolarHBondContact O-CD1 3.46Å; E166-I170 VanDerWaalsContact O-CG1 3.27Å; E166-I170 WeakPolarHBondContact O-CG1 3.38Å; E166-I170 PolarHBondContact O-N 3.11Å; E166-I170 VanDerWaalsContact O-N 3.11Å |
| 167 | L | 88.5 | Confident | 87.8 | Confident | 108 Ų | 108 | 95.9 Ų | 95.9 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 175.6 | -74.1 | 171.7 | 0 | 0 | 0 | 112.5 | R163 R164 A165 Q171 | R163-L167 WeakPolarHBondContact O-CG 3.48Å; R163-L167 PolarHBondContact O-N 3.1Å; R163-L167 VanDerWaalsContact O-N 3.11Å; R164-L167 PolarHBondContact O-N 3.25Å; A165-L167 VanDerWaalsContact C-N 3.33Å; A165-L167 PolarHBondContact O-N 2.88Å; L167-Q171 WeakPolarHBondContact O-CG 3.36Å; L167-Q171 PolarHBondContact O-N 3.14Å |
| 168 | S | 88.4 | Confident | 87.4 | Confident | 46 Ų | 46 | 97.7 Ų | 97.7 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | R164 A165 I170 Q171 Y172 | R164-S168 WeakPolarHBondContact O-CB 3.35Å; R164-S168 PolarHBondContact O-N 3.29Å; A165-S168 WeakPolarHBondContact O-CB 3.27Å; A165-S168 PolarHBondContact O-N 3.11Å; A165-S168 VanDerWaalsContact O-N 3.11Å; S168-I170 VanDerWaalsContact C-N 3.34Å; S168-I170 PolarHBondContact O-N 3.01Å; S168-Q171 WeakPolarHBondContact O-CB 3.3Å; S168-Q171 PolarHBondContact O-N 3.06Å; S168-Q171 VanDerWaalsContact O-N 3.14Å; S168-Y172 VanDerWaalsContact O-CD2 3.3Å; S168-Y172 WeakPolarHBondContact O-CD2 3.4Å; S168-Y172 PolarHBondContact O-N 2.87Å |
| 169 | D | 84.9 | Confident | 86.9 | Confident | 100 Ų | 100 | 99.2 Ų | 99.2 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 179.2 | -72.5 | -11.8 | 0 | 0 | 0 | 111.6 | A165 E166 Q171 Y172 L173 | A165-D169 PolarHBondContact O-N 3.36Å; E166-D169 PolarHBondContact O-N 3.47Å; D169-Q171 VanDerWaalsContact C-N 3.32Å; D169-Q171 PolarHBondContact O-N 3.31Å; D169-Y172 PolarHBondContact O-N 3.46Å; D169-L173 WeakPolarHBondContact O-CB 3.43Å; D169-L173 WeakPolarHBondContact O-CG 3.48Å; D169-L173 PolarHBondContact O-N 2.68Å |
| 170 | I | 84.3 | Confident | 86.3 | Confident | 113 Ų | 113 | 102.8 Ų | 102.8 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -40.8 | 173.6 | -67.9 | 165.8 | 0 | 0 | 0 | 110.9 | E166 S168 S174 | E166-I170 WeakPolarHBondContact O-CD1 3.46Å; E166-I170 VanDerWaalsContact O-CG1 3.27Å; E166-I170 WeakPolarHBondContact O-CG1 3.38Å; E166-I170 PolarHBondContact O-N 3.11Å; E166-I170 VanDerWaalsContact O-N 3.11Å; S168-I170 VanDerWaalsContact C-N 3.34Å; S168-I170 PolarHBondContact O-N 3.01Å; I170-S174 WeakPolarHBondContact O-CB 3.25Å; I170-S174 PolarHBondContact O-N 3.36Å |
| 171 | Q | 82.4 | Confident | 86.1 | Confident | 134 Ų | 134 | 103.9 Ų | 103.9 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 176.6 | -76.2 | 179.2 | -9.1 | 0 | 0 | 112.2 | L167 S168 D169 S174 T175 | L167-Q171 WeakPolarHBondContact O-CG 3.36Å; L167-Q171 PolarHBondContact O-N 3.14Å; S168-Q171 WeakPolarHBondContact O-CB 3.3Å; S168-Q171 PolarHBondContact O-N 3.06Å; S168-Q171 VanDerWaalsContact O-N 3.14Å; D169-Q171 VanDerWaalsContact C-N 3.32Å; D169-Q171 PolarHBondContact O-N 3.31Å; Q171-S174 PolarHBondContact O-N 2.93Å; Q171-T175 WeakPolarHBondContact O-CB 3.41Å; Q171-T175 PolarHBondContact O-N 3.36Å; Q171-T175 PolarHBondContact O-OG1 3.02Å |
| 172 | Y | 76.4 | Confident | 86 | Confident | 150 Ų | 150 | 106.2 Ų | 106.2 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -50.3 | 175.9 | -89.7 | -73.7 | 0 | 0 | 0 | 111.6 | S168 D169 S174 T175 D176 | S168-Y172 VanDerWaalsContact O-CD2 3.3Å; S168-Y172 WeakPolarHBondContact O-CD2 3.4Å; S168-Y172 PolarHBondContact O-N 2.87Å; D169-Y172 PolarHBondContact O-N 3.46Å; Y172-S174 VanDerWaalsContact C-N 3.28Å; Y172-S174 PolarHBondContact O-N 3.46Å; Y172-T175 PolarHBondContact O-N 3.37Å; Y172-D176 PolarHBondContact O-N 3.36Å |
| 173 | L | 75.5 | Confident | 85.8 | Confident | 121 Ų | 121 | 107.4 Ų | 107.4 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.7 | -40.2 | 177.4 | -72 | 170.3 | 0 | 0 | 0 | 112.1 | D169 T175 D177 | D169-L173 WeakPolarHBondContact O-CB 3.43Å; D169-L173 WeakPolarHBondContact O-CG 3.48Å; D169-L173 PolarHBondContact O-N 2.68Å; L173-T175 VanDerWaalsContact C-N 3.32Å; L173-T175 PolarHBondContact O-N 2.96Å; L173-D177 PolarHBondContact O-N 3.32Å |
| 174 | S | 80.5 | Confident | 85.8 | Confident | 66 Ų | 66 | 103.9 Ų | 103.9 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.1 | -29.6 | 176 | -174.3 | 0 | 0 | 0 | 0 | 113 | I170 Q171 Y172 L178 | I170-S174 WeakPolarHBondContact O-CB 3.25Å; I170-S174 PolarHBondContact O-N 3.36Å; Q171-S174 PolarHBondContact O-N 2.93Å; Y172-S174 VanDerWaalsContact C-N 3.28Å; Y172-S174 PolarHBondContact O-N 3.46Å; S174-L178 WeakPolarHBondContact O-CD1 3.35Å; S174-L178 VanDerWaalsContact O-CG 3.25Å; S174-L178 WeakPolarHBondContact O-CG 3.48Å; S174-L178 PolarHBondContact O-N 2.98Å |
| 175 | T | 79.3 | Confident | 85.8 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -78.1 | -44.5 | -178.2 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | Q171 Y172 L173 D177 L178 E179 | Q171-T175 WeakPolarHBondContact O-CB 3.41Å; Q171-T175 PolarHBondContact O-N 3.36Å; Q171-T175 PolarHBondContact O-OG1 3.02Å; Y172-T175 PolarHBondContact O-N 3.37Å; L173-T175 VanDerWaalsContact C-N 3.32Å; L173-T175 PolarHBondContact O-N 2.96Å; T175-D177 VanDerWaalsContact C-N 3.3Å; T175-D177 PolarHBondContact O-N 3.5Å; T175-L178 CarbonylContact O-C 3.6Å; T175-L178 WeakPolarHBondContact O-CA 3.45Å; T175-L178 WeakPolarHBondContact O-CB 3.48Å; T175-L178 PolarHBondContact O-N 2.85Å; T175-E179 HydrophobicContact CG2-CG 4.49Å; T175-E179 PolarHBondContact O-N 3.39Å |
| 176 | D | 78.5 | Confident | 85.9 | Confident | 88 Ų | 88 | 107.1 Ų | 107.1 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 176.3 | -74.4 | -2 | 0 | 0 | 0 | 111.7 | Y172 L178 E179 M180 | Y172-D176 PolarHBondContact O-N 3.36Å; D176-L178 VanDerWaalsContact C-N 3.28Å; D176-L178 PolarHBondContact O-N 3Å; D176-E179 PolarHBondContact O-N 3.25Å; D176-M180 WeakPolarHBondContact O-CB 3.46Å; D176-M180 WeakPolarHBondContact O-CG 3.36Å; D176-M180 PolarHBondContact O-N 3.28Å |
| 177 | D | 82.1 | Confident | 86.1 | Confident | 100 Ų | 100 | 106.7 Ų | 106.7 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -35.2 | 175.1 | -105.8 | 22.7 | 0 | 0 | 0 | 112.5 | L173 T175 K181 | L173-D177 PolarHBondContact O-N 3.32Å; T175-D177 VanDerWaalsContact C-N 3.3Å; T175-D177 PolarHBondContact O-N 3.5Å; D177-K181 WeakPolarHBondContact O-CG 3.39Å; D177-K181 PolarHBondContact O-N 2.84Å |
| 178 | L | 86.1 | Confident | 86.4 | Confident | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.9 | -42.1 | 177.1 | -73.8 | 171.5 | 0 | 0 | 0 | 111.7 | S174 T175 D176 K181 E182 | S174-L178 WeakPolarHBondContact O-CD1 3.35Å; S174-L178 VanDerWaalsContact O-CG 3.25Å; S174-L178 WeakPolarHBondContact O-CG 3.48Å; S174-L178 PolarHBondContact O-N 2.98Å; T175-L178 CarbonylContact O-C 3.6Å; T175-L178 WeakPolarHBondContact O-CA 3.45Å; T175-L178 WeakPolarHBondContact O-CB 3.48Å; T175-L178 PolarHBondContact O-N 2.85Å; D176-L178 VanDerWaalsContact C-N 3.28Å; D176-L178 PolarHBondContact O-N 3Å; L178-K181 PolarHBondContact O-N 3.29Å; L178-E182 WeakPolarHBondContact O-CB 3.44Å; L178-E182 PolarHBondContact O-N 3.37Å |
| 179 | E | 84.6 | Confident | 86.7 | Confident | 115 Ų | 115 | 109 Ų | 109 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.5 | -73.4 | -172.3 | 177.5 | 0 | 0 | 111.6 | T175 D176 K181 E182 K183 | T175-E179 HydrophobicContact CG2-CG 4.49Å; T175-E179 PolarHBondContact O-N 3.39Å; D176-E179 PolarHBondContact O-N 3.25Å; E179-K181 PolarHBondContact O-N 2.94Å; E179-E182 PolarHBondContact O-N 2.63Å; E179-K183 WeakPolarHBondContact O-CB 3.36Å; E179-K183 PolarHBondContact O-N 3.5Å |
| 180 | M | 85.7 | Confident | 87.2 | Confident | 138 Ų | 138 | 108.9 Ų | 108.9 | 68% | 0.68 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -45.2 | 173.9 | -79.6 | -105.1 | -72.6 | 0 | 0 | 111.9 | D176 K183 D184 | D176-M180 WeakPolarHBondContact O-CB 3.46Å; D176-M180 WeakPolarHBondContact O-CG 3.36Å; D176-M180 PolarHBondContact O-N 3.28Å; M180-K183 PolarHBondContact O-N 2.89Å; M180-D184 PolarHBondContact O-N 3.01Å |
| 181 | K | 90.8 | Very high | 87.7 | Confident | 125 Ų | 125 | 109.9 Ų | 109.9 | 54% | 0.543 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 175.4 | -80.8 | 172.2 | -178.7 | 160.5 | 0 | 112.2 | D177 L178 E179 D184 L185 | D177-K181 WeakPolarHBondContact O-CG 3.39Å; D177-K181 PolarHBondContact O-N 2.84Å; L178-K181 PolarHBondContact O-N 3.29Å; E179-K181 PolarHBondContact O-N 2.94Å; K181-D184 PolarHBondContact O-N 2.9Å; K181-L185 WeakPolarHBondContact O-CB 3.34Å; K181-L185 WeakPolarHBondContact O-CG 3.44Å; K181-L185 PolarHBondContact O-N 3.48Å |
| 182 | E | 92.5 | Very high | 88.3 | Confident | 94 Ų | 94 | 106.2 Ų | 106.2 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.7 | -169 | -161.7 | 157.9 | 0 | 0 | 110.8 | L178 E179 L185 R186 | L178-E182 WeakPolarHBondContact O-CB 3.44Å; L178-E182 PolarHBondContact O-N 3.37Å; E179-E182 PolarHBondContact O-N 2.63Å; E182-L185 PolarHBondContact O-N 3.19Å; E182-R186 WeakPolarHBondContact O-CG 3.39Å; E182-R186 PolarHBondContact O-N 3.39Å; E182-R186 IonicContact OE1-CZ 3.69Å; E182-R186 IonicContact OE1-NE 2.97Å; E182-R186 PolarHBondContact OE1-NE 2.89Å; E182-R186 IonicContact OE1-NH2 3.16Å; E182-R186 PolarHBondContact OE1-NH2 3.01Å |
| 183 | K | 92.8 | Very high | 89.1 | Confident | 128 Ų | 128 | 102.3 Ų | 102.3 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -47.6 | 178.3 | -175.2 | -177.4 | 175 | -172.5 | 0 | 111.8 | E179 M180 L185 R186 E187 | E179-K183 WeakPolarHBondContact O-CB 3.36Å; E179-K183 PolarHBondContact O-N 3.5Å; M180-K183 PolarHBondContact O-N 2.89Å; K183-L185 VanDerWaalsContact C-N 3.34Å; K183-L185 PolarHBondContact O-N 2.94Å; K183-R186 PolarHBondContact O-N 3.34Å; K183-E187 VanDerWaalsContact CE-OE1 3.26Å; K183-E187 WeakPolarHBondContact CE-OE1 3.28Å; K183-E187 PolarHBondContact O-N 3.43Å |
| 184 | D | 93 | Very high | 90.1 | Very high | 77 Ų | 77 | 100.3 Ų | 100.3 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 178.8 | -172.7 | 45.1 | 0 | 0 | 0 | 111.4 | M180 K181 R186 E187 Q188 | M180-D184 PolarHBondContact O-N 3.01Å; K181-D184 PolarHBondContact O-N 2.9Å; D184-R186 PolarHBondContact O-N 3.45Å; D184-E187 PolarHBondContact O-N 3.35Å; D184-Q188 WeakPolarHBondContact O-CB 3.37Å; D184-Q188 VanDerWaalsContact O-CG 3.28Å; D184-Q188 WeakPolarHBondContact O-CG 3.37Å; D184-Q188 PolarHBondContact O-N 2.86Å; D184-Q188 PolarHBondContact OD2-NE2 2.82Å |
| 185 | L | 93.9 | Very high | 90.8 | Very high | 109 Ų | 109 | 101.9 Ų | 101.9 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 174.2 | -76.4 | 170.6 | 0 | 0 | 0 | 112.7 | K181 E182 K183 Q188 L189 | K181-L185 WeakPolarHBondContact O-CB 3.34Å; K181-L185 WeakPolarHBondContact O-CG 3.44Å; K181-L185 PolarHBondContact O-N 3.48Å; E182-L185 PolarHBondContact O-N 3.19Å; K183-L185 VanDerWaalsContact C-N 3.34Å; K183-L185 PolarHBondContact O-N 2.94Å; L185-Q188 PolarHBondContact O-N 3.02Å; L185-L189 WeakPolarHBondContact O-CB 3.35Å; L185-L189 PolarHBondContact O-N 2.97Å |
| 186 | R | 93.5 | Very high | 91.5 | Very high | 168 Ų | 168 | 105.5 Ų | 105.5 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -43 | 175 | -74.4 | 179.8 | -179.6 | -149.1 | 1.4 | 111.8 | E182 K183 D184 L189 Q190 | E182-R186 WeakPolarHBondContact O-CG 3.39Å; E182-R186 PolarHBondContact O-N 3.39Å; E182-R186 IonicContact OE1-CZ 3.69Å; E182-R186 IonicContact OE1-NE 2.97Å; E182-R186 PolarHBondContact OE1-NE 2.89Å; E182-R186 IonicContact OE1-NH2 3.16Å; E182-R186 PolarHBondContact OE1-NH2 3.01Å; K183-R186 PolarHBondContact O-N 3.34Å; D184-R186 PolarHBondContact O-N 3.45Å; R186-L189 PolarHBondContact O-N 2.94Å; R186-Q190 PolarHBondContact O-N 3.05Å |
| 187 | E | 95 | Very high | 92.2 | Very high | 94 Ų | 94 | 105.4 Ų | 105.4 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 176.5 | -73.8 | 179.8 | -168 | 0 | 0 | 112.2 | K183 D184 R191 | K183-E187 VanDerWaalsContact CE-OE1 3.26Å; K183-E187 WeakPolarHBondContact CE-OE1 3.28Å; K183-E187 PolarHBondContact O-N 3.43Å; D184-E187 PolarHBondContact O-N 3.35Å; E187-R191 WeakPolarHBondContact O-CG 3.46Å; E187-R191 PolarHBondContact O-N 3.4Å; E187-R191 PolarHBondContact O-NE 3.43Å |
| 188 | Q | 94.9 | Very high | 92.8 | Very high | 92 Ų | 92 | 104.6 Ų | 104.6 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 172 | -72.8 | -179.6 | 35.2 | 0 | 0 | 111.6 | D184 L185 R191 A192 | D184-Q188 WeakPolarHBondContact O-CB 3.37Å; D184-Q188 VanDerWaalsContact O-CG 3.28Å; D184-Q188 WeakPolarHBondContact O-CG 3.37Å; D184-Q188 PolarHBondContact O-N 2.86Å; D184-Q188 PolarHBondContact OD2-NE2 2.82Å; L185-Q188 PolarHBondContact O-N 3.02Å; Q188-R191 PolarHBondContact O-N 3.28Å; Q188-A192 PolarHBondContact O-N 3.44Å |
| 189 | L | 95.1 | Very high | 93.1 | Very high | 109 Ų | 109 | 102 Ų | 102 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 177.2 | -177.4 | 64.1 | 0 | 0 | 0 | 111.6 | L185 R186 R191 A192 I193 | L185-L189 WeakPolarHBondContact O-CB 3.35Å; L185-L189 PolarHBondContact O-N 2.97Å; R186-L189 PolarHBondContact O-N 2.94Å; L189-R191 PolarHBondContact O-N 3.49Å; L189-A192 WeakPolarHBondContact O-CB 3.46Å; L189-A192 PolarHBondContact O-N 3.35Å; L189-I193 HydrophobicContact CG-CD1 4.13Å; L189-I193 WeakPolarHBondContact O-CG1 3.42Å; L189-I193 PolarHBondContact O-N 2.91Å |
| 190 | Q | 95.6 | Very high | 93.5 | Very high | 98 Ų | 98 | 101.3 Ų | 101.3 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 178 | -171.3 | 60.6 | 48.9 | 0 | 0 | 111.7 | R186 A192 I193 D194 | R186-Q190 PolarHBondContact O-N 3.05Å; Q190-A192 VanDerWaalsContact C-N 3.28Å; Q190-A192 PolarHBondContact O-N 3.18Å; Q190-I193 PolarHBondContact O-N 3.26Å; Q190-D194 PolarHBondContact NE2-OD1 3.18Å; Q190-D194 VanDerWaalsContact O-CG 3.25Å; Q190-D194 PolarHBondContact O-N 2.85Å |
| 191 | R | 94.2 | Very high | 93.8 | Very high | 135 Ų | 135 | 101.3 Ų | 101.3 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 174.5 | -76.2 | -179 | -74.5 | -167.1 | -3.9 | 112.2 | E187 Q188 L189 T195 | E187-R191 WeakPolarHBondContact O-CG 3.46Å; E187-R191 PolarHBondContact O-N 3.4Å; E187-R191 PolarHBondContact O-NE 3.43Å; Q188-R191 PolarHBondContact O-N 3.28Å; L189-R191 PolarHBondContact O-N 3.49Å; R191-T195 WeakPolarHBondContact O-CB 3.26Å; R191-T195 PolarHBondContact O-N 2.83Å; R191-T195 PolarHBondContact O-OG1 2.94Å |
| 192 | A | 94.1 | Very high | 94 | Very high | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q188 L189 Q190 T195 Y196 | Q188-A192 PolarHBondContact O-N 3.44Å; L189-A192 WeakPolarHBondContact O-CB 3.46Å; L189-A192 PolarHBondContact O-N 3.35Å; Q190-A192 VanDerWaalsContact C-N 3.28Å; Q190-A192 PolarHBondContact O-N 3.18Å; A192-T195 PolarHBondContact O-N 2.69Å; A192-Y196 WeakPolarHBondContact O-CB 3.37Å; A192-Y196 PolarHBondContact O-N 3.02Å |
| 193 | I | 94.8 | Very high | 94 | Very high | 68 Ų | 68 | 100 Ų | 100 | 35% | 0.349 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 174.9 | -69 | 166.2 | 0 | 0 | 0 | 110.4 | L189 Q190 T195 Y196 E197 | L189-I193 HydrophobicContact CG-CD1 4.13Å; L189-I193 WeakPolarHBondContact O-CG1 3.42Å; L189-I193 PolarHBondContact O-N 2.91Å; Q190-I193 PolarHBondContact O-N 3.26Å; I193-T195 VanDerWaalsContact C-N 3.25Å; I193-T195 PolarHBondContact O-N 2.91Å; I193-Y196 WeakPolarHBondContact O-CB 3.27Å; I193-Y196 PolarHBondContact O-N 2.63Å; I193-Y196 VanDerWaalsContact O-N 3.07Å; I193-E197 HydrophobicContact CG2-CG 4.39Å; I193-E197 PolarHBondContact O-N 3.28Å |
| 194 | D | 95.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 96 Ų | 96 | 42% | 0.417 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -39.6 | -179.1 | -63.9 | -15.9 | 0 | 0 | 0 | 111.3 | Q190 N198 | Q190-D194 PolarHBondContact NE2-OD1 3.18Å; Q190-D194 VanDerWaalsContact O-CG 3.25Å; Q190-D194 PolarHBondContact O-N 2.85Å; D194-N198 VanDerWaalsContact O-CB 3.31Å; D194-N198 WeakPolarHBondContact O-CB 3.46Å; D194-N198 PolarHBondContact O-N 3.01Å |
| 195 | T | 95.2 | Very high | 93.9 | Very high | 100 Ų | 100 | 95.3 Ų | 95.3 | 61% | 0.613 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 176.2 | -55 | 0 | 0 | 0 | 0 | 111.3 | R191 A192 I193 N198 S199 | R191-T195 WeakPolarHBondContact O-CB 3.26Å; R191-T195 PolarHBondContact O-N 2.83Å; R191-T195 PolarHBondContact O-OG1 2.94Å; A192-T195 PolarHBondContact O-N 2.69Å; I193-T195 VanDerWaalsContact C-N 3.25Å; I193-T195 PolarHBondContact O-N 2.91Å; T195-N198 PolarHBondContact O-N 2.91Å; T195-S199 WeakPolarHBondContact O-CB 3.31Å; T195-S199 PolarHBondContact O-N 3.46Å |
| 196 | Y | 93.5 | Very high | 93.8 | Very high | 139 Ų | 139 | 94.8 Ų | 94.8 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 176.6 | -179.4 | -91.1 | 0 | 0 | 0 | 111.4 | A192 I193 N198 S199 E200 | A192-Y196 WeakPolarHBondContact O-CB 3.37Å; A192-Y196 PolarHBondContact O-N 3.02Å; I193-Y196 WeakPolarHBondContact O-CB 3.27Å; I193-Y196 PolarHBondContact O-N 2.63Å; I193-Y196 VanDerWaalsContact O-N 3.07Å; Y196-N198 VanDerWaalsContact C-N 3.32Å; Y196-N198 PolarHBondContact O-N 3.07Å; Y196-S199 WeakPolarHBondContact O-CA 3.39Å; Y196-S199 WeakPolarHBondContact O-CB 3.29Å; Y196-S199 PolarHBondContact O-N 3.25Å; Y196-S199 VanDerWaalsContact O-N 3.1Å; Y196-S199 PolarHBondContact O-OG 2.99Å; Y196-E200 HydrophobicContact CD1-CG 4.34Å; Y196-E200 HydrophobicContact CE1-CG 3.74Å; Y196-E200 VanDerWaalsContact CE1-OE1 3.27Å; Y196-E200 WeakPolarHBondContact CE1-OE1 3.45Å; Y196-E200 PolarHBondContact O-N 2.97Å; Y196-E200 PolarHBondContact OH-OE1 3.43Å |
| 197 | E | 93.8 | Very high | 93.8 | Very high | 85 Ų | 85 | 90.9 Ų | 90.9 | 40% | 0.397 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 177.1 | -72.6 | -169.7 | 176.4 | 0 | 0 | 112.5 | I193 S199 E200 R201 | I193-E197 HydrophobicContact CG2-CG 4.39Å; I193-E197 PolarHBondContact O-N 3.28Å; E197-S199 VanDerWaalsContact C-N 3.27Å; E197-S199 PolarHBondContact O-N 2.94Å; E197-E200 PolarHBondContact O-N 3.29Å; E197-R201 WeakPolarHBondContact O-CG 3.49Å; E197-R201 PolarHBondContact O-N 3.1Å; E197-R201 IonicContact OE2-NH2 2.61Å; E197-R201 PolarHBondContact OE2-NH2 2.91Å |
| 198 | N | 94.4 | Very high | 93.7 | Very high | 84 Ų | 84 | 95 Ų | 95 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.1 | -35.2 | 178.9 | -152.5 | 40.3 | 0 | 0 | 0 | 111.1 | D194 T195 Y196 R201 N202 | D194-N198 VanDerWaalsContact O-CB 3.31Å; D194-N198 WeakPolarHBondContact O-CB 3.46Å; D194-N198 PolarHBondContact O-N 3.01Å; T195-N198 PolarHBondContact O-N 2.91Å; Y196-N198 VanDerWaalsContact C-N 3.32Å; Y196-N198 PolarHBondContact O-N 3.07Å; N198-R201 PolarHBondContact O-N 3.26Å; N198-N202 PolarHBondContact O-N 2.8Å |
| 199 | S | 92.7 | Very high | 93.6 | Very high | 49 Ų | 49 | 96 Ų | 96 | 34% | 0.343 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 172.7 | 79.8 | 0 | 0 | 0 | 0 | 112.3 | T195 Y196 E197 R201 N202 I203 | T195-S199 WeakPolarHBondContact O-CB 3.31Å; T195-S199 PolarHBondContact O-N 3.46Å; Y196-S199 WeakPolarHBondContact O-CA 3.39Å; Y196-S199 WeakPolarHBondContact O-CB 3.29Å; Y196-S199 PolarHBondContact O-N 3.25Å; Y196-S199 VanDerWaalsContact O-N 3.1Å; Y196-S199 PolarHBondContact O-OG 2.99Å; E197-S199 VanDerWaalsContact C-N 3.27Å; E197-S199 PolarHBondContact O-N 2.94Å; S199-R201 PolarHBondContact O-N 3.35Å; S199-N202 PolarHBondContact O-N 2.97Å; S199-I203 VanDerWaalsContact O-CG1 3.29Å; S199-I203 WeakPolarHBondContact O-CG1 3.5Å; S199-I203 PolarHBondContact O-N 3.06Å |
| 200 | E | 93.2 | Very high | 93.5 | Very high | 100 Ų | 100 | 95.7 Ų | 95.7 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.8 | -79 | -163.5 | 154.3 | 0 | 0 | 112.2 | Y196 E197 N202 I203 A204 | Y196-E200 HydrophobicContact CD1-CG 4.34Å; Y196-E200 HydrophobicContact CE1-CG 3.74Å; Y196-E200 VanDerWaalsContact CE1-OE1 3.27Å; Y196-E200 WeakPolarHBondContact CE1-OE1 3.45Å; Y196-E200 PolarHBondContact O-N 2.97Å; Y196-E200 PolarHBondContact OH-OE1 3.43Å; E197-E200 PolarHBondContact O-N 3.29Å; E200-N202 VanDerWaalsContact C-N 3.32Å; E200-N202 PolarHBondContact O-N 2.91Å; E200-I203 PolarHBondContact O-N 3.5Å; E200-A204 WeakPolarHBondContact O-CB 3.49Å; E200-A204 PolarHBondContact O-N 2.9Å |
| 201 | R | 92.1 | Very high | 93.2 | Very high | 138 Ų | 138 | 98.5 Ų | 98.5 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 175.9 | -67.8 | 179.1 | -137.4 | 153.2 | 1.1 | 111.9 | E197 N198 S199 A204 T205 | E197-R201 WeakPolarHBondContact O-CG 3.49Å; E197-R201 PolarHBondContact O-N 3.1Å; E197-R201 IonicContact OE2-NH2 2.61Å; E197-R201 PolarHBondContact OE2-NH2 2.91Å; N198-R201 PolarHBondContact O-N 3.26Å; S199-R201 PolarHBondContact O-N 3.35Å; R201-A204 PolarHBondContact O-N 2.82Å; R201-T205 PolarHBondContact O-N 3.49Å; R201-T205 PolarHBondContact O-OG1 3.45Å |
| 202 | N | 94.5 | Very high | 93 | Very high | 94 Ų | 94 | 95.4 Ų | 95.4 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 175.5 | -81.8 | -15 | 0 | 0 | 0 | 111.7 | N198 S199 E200 A204 T205 L206 | N198-N202 PolarHBondContact O-N 2.8Å; S199-N202 PolarHBondContact O-N 2.97Å; E200-N202 VanDerWaalsContact C-N 3.32Å; E200-N202 PolarHBondContact O-N 2.91Å; N202-A204 PolarHBondContact O-N 3.03Å; N202-T205 PolarHBondContact O-N 3.44Å; N202-T205 VanDerWaalsContact O-N 3.17Å; N202-L206 WeakPolarHBondContact O-CG 3.49Å; N202-L206 PolarHBondContact O-N 3.38Å |
| 203 | I | 92 | Very high | 92.8 | Very high | 99 Ų | 99 | 101.2 Ų | 101.2 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 175.1 | -69.9 | 167.7 | 0 | 0 | 0 | 110.2 | S199 E200 T205 L206 D207 | S199-I203 VanDerWaalsContact O-CG1 3.29Å; S199-I203 WeakPolarHBondContact O-CG1 3.5Å; S199-I203 PolarHBondContact O-N 3.06Å; E200-I203 PolarHBondContact O-N 3.5Å; I203-T205 PolarHBondContact O-N 3.44Å; I203-L206 PolarHBondContact O-N 3.24Å; I203-D207 PolarHBondContact O-N 3.47Å |
| 204 | A | 91.5 | Very high | 92.6 | Very high | 42 Ų | 42 | 105.5 Ų | 105.5 | 35% | 0.347 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -34.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | E200 R201 N202 R208 | E200-A204 WeakPolarHBondContact O-CB 3.49Å; E200-A204 PolarHBondContact O-N 2.9Å; R201-A204 PolarHBondContact O-N 2.82Å; N202-A204 PolarHBondContact O-N 3.03Å; A204-R208 WeakPolarHBondContact O-CG 3.22Å; A204-R208 PolarHBondContact O-N 3.25Å |
| 205 | T | 92.4 | Very high | 92.3 | Very high | 63 Ų | 63 | 104.7 Ų | 104.7 | 39% | 0.387 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.8 | -45.4 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | R201 N202 I203 D207 R208 Q209 | R201-T205 PolarHBondContact O-N 3.49Å; R201-T205 PolarHBondContact O-OG1 3.45Å; N202-T205 PolarHBondContact O-N 3.44Å; N202-T205 VanDerWaalsContact O-N 3.17Å; I203-T205 PolarHBondContact O-N 3.44Å; T205-D207 VanDerWaalsContact C-N 3.3Å; T205-D207 PolarHBondContact O-N 3.24Å; T205-R208 PolarHBondContact O-N 3.05Å; T205-Q209 WeakPolarHBondContact O-CG 3.28Å; T205-Q209 PolarHBondContact O-N 3.14Å |
| 206 | L | 91.9 | Very high | 92 | Very high | 98 Ų | 98 | 105.4 Ų | 105.4 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 174.4 | -73.4 | 170.5 | 0 | 0 | 0 | 111.1 | N202 I203 R208 Q209 I210 | N202-L206 WeakPolarHBondContact O-CG 3.49Å; N202-L206 PolarHBondContact O-N 3.38Å; I203-L206 PolarHBondContact O-N 3.24Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 2.91Å; L206-Q209 PolarHBondContact O-N 3.26Å; L206-Q209 VanDerWaalsContact O-N 3.14Å; L206-I210 WeakPolarHBondContact O-CB 3.48Å; L206-I210 VanDerWaalsContact O-CG1 3.28Å; L206-I210 WeakPolarHBondContact O-CG1 3.43Å; L206-I210 PolarHBondContact O-N 3.17Å |
| 207 | D | 94.4 | Very high | 91.7 | Very high | 87 Ų | 87 | 103.7 Ų | 103.7 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 176.8 | -102.7 | -1.4 | 0 | 0 | 0 | 112.9 | I203 T205 K211 | I203-D207 PolarHBondContact O-N 3.47Å; T205-D207 VanDerWaalsContact C-N 3.3Å; T205-D207 PolarHBondContact O-N 3.24Å; D207-K211 WeakPolarHBondContact O-CG 3.44Å; D207-K211 PolarHBondContact O-N 2.86Å |
| 208 | R | 91.7 | Very high | 91.5 | Very high | 181 Ų | 181 | 105.1 Ų | 105.1 | 68% | 0.683 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -42.7 | 173.9 | -71.1 | -179.5 | -160.2 | 148 | 5 | 111.7 | A204 T205 L206 K211 S212 | A204-R208 WeakPolarHBondContact O-CG 3.22Å; A204-R208 PolarHBondContact O-N 3.25Å; T205-R208 PolarHBondContact O-N 3.05Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 2.91Å; R208-K211 PolarHBondContact O-N 3.31Å; R208-S212 WeakPolarHBondContact O-CB 3.49Å; R208-S212 PolarHBondContact O-N 2.93Å |
| 209 | Q | 93.5 | Very high | 91.1 | Very high | 112 Ų | 112 | 107.8 Ų | 107.8 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 177.4 | -71 | -178.9 | 3 | 0 | 0 | 111.6 | T205 L206 S212 R213 | T205-Q209 WeakPolarHBondContact O-CG 3.28Å; T205-Q209 PolarHBondContact O-N 3.14Å; L206-Q209 PolarHBondContact O-N 3.26Å; L206-Q209 VanDerWaalsContact O-N 3.14Å; Q209-S212 PolarHBondContact O-N 2.89Å; Q209-R213 WeakPolarHBondContact O-CB 3.42Å; Q209-R213 WeakPolarHBondContact O-CG 3.37Å; Q209-R213 PolarHBondContact O-N 3.47Å |
| 210 | I | 91.9 | Very high | 90.7 | Very high | 102 Ų | 102 | 110.9 Ų | 110.9 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 175.1 | -70.5 | 167.3 | 0 | 0 | 0 | 110.1 | L206 S212 R213 K214 | L206-I210 WeakPolarHBondContact O-CB 3.48Å; L206-I210 VanDerWaalsContact O-CG1 3.28Å; L206-I210 WeakPolarHBondContact O-CG1 3.43Å; L206-I210 PolarHBondContact O-N 3.17Å; I210-S212 PolarHBondContact O-N 3.46Å; I210-R213 PolarHBondContact O-N 3.35Å; I210-K214 VanDerWaalsContact O-CB 3.22Å; I210-K214 WeakPolarHBondContact O-CB 3.49Å; I210-K214 PolarHBondContact O-N 2.97Å |
| 211 | K | 91.2 | Very high | 90.3 | Very high | 157 Ų | 157 | 114.6 Ų | 114.6 | 68% | 0.683 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.2 | -45 | 176.2 | -78.9 | 178.6 | -179.2 | 173.7 | 0 | 112.2 | D207 R208 K214 A215 | D207-K211 WeakPolarHBondContact O-CG 3.44Å; D207-K211 PolarHBondContact O-N 2.86Å; R208-K211 PolarHBondContact O-N 3.31Å; K211-K214 PolarHBondContact O-N 2.93Å; K211-A215 PolarHBondContact O-N 3.06Å |
| 212 | S | 89.4 | Confident | 90 | Very high | 71 Ų | 71 | 111.2 Ų | 111.2 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.7 | -52.7 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | R208 Q209 I210 K214 A215 E216 | R208-S212 WeakPolarHBondContact O-CB 3.49Å; R208-S212 PolarHBondContact O-N 2.93Å; Q209-S212 PolarHBondContact O-N 2.89Å; I210-S212 PolarHBondContact O-N 3.46Å; S212-K214 VanDerWaalsContact C-N 3.26Å; S212-K214 PolarHBondContact O-N 3.07Å; S212-A215 WeakPolarHBondContact O-CB 3.5Å; S212-A215 PolarHBondContact O-N 3.27Å; S212-E216 PolarHBondContact O-N 3.41Å |
| 213 | R | 89.8 | Confident | 89.6 | Confident | 179 Ų | 179 | 111.8 Ų | 111.8 | 68% | 0.675 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.9 | -38 | 177.1 | -78.3 | -78.3 | -175.6 | 123.3 | -1.1 | 112.1 | Q209 I210 E216 L217 | Q209-R213 WeakPolarHBondContact O-CB 3.42Å; Q209-R213 WeakPolarHBondContact O-CG 3.37Å; Q209-R213 PolarHBondContact O-N 3.47Å; I210-R213 PolarHBondContact O-N 3.35Å; R213-E216 PolarHBondContact O-N 2.9Å; R213-L217 WeakPolarHBondContact O-CB 3.37Å; R213-L217 PolarHBondContact O-N 3.41Å |
| 214 | K | 90.1 | Very high | 89.3 | Confident | 157 Ų | 157 | 111.9 Ų | 111.9 | 68% | 0.683 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67 | -38.7 | 177.3 | -163 | 176 | -175 | 179 | 0 | 111.8 | I210 K211 S212 L218 | I210-K214 VanDerWaalsContact O-CB 3.22Å; I210-K214 WeakPolarHBondContact O-CB 3.49Å; I210-K214 PolarHBondContact O-N 2.97Å; K211-K214 PolarHBondContact O-N 2.93Å; S212-K214 VanDerWaalsContact C-N 3.26Å; S212-K214 PolarHBondContact O-N 3.07Å; K214-L218 WeakPolarHBondContact O-CB 3.44Å; K214-L218 PolarHBondContact O-N 3.05Å |
| 215 | A | 88.8 | Confident | 88.9 | Confident | 62 Ų | 62 | 116 Ų | 116 | 51% | 0.512 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.1 | -41.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | K211 S212 L218 K219 | K211-A215 PolarHBondContact O-N 3.06Å; S212-A215 WeakPolarHBondContact O-CB 3.5Å; S212-A215 PolarHBondContact O-N 3.27Å; A215-L218 WeakPolarHBondContact O-CB 3.44Å; A215-L218 PolarHBondContact O-N 3.45Å; A215-K219 PolarHBondContact O-N 3.02Å |
| 216 | E | 90.1 | Very high | 88.5 | Confident | 115 Ų | 115 | 119.9 Ų | 119.9 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -46.2 | 175.3 | -125.1 | 168.5 | -165.7 | 0 | 0 | 112.1 | S212 R213 L218 K219 Q220 | S212-E216 PolarHBondContact O-N 3.41Å; R213-E216 PolarHBondContact O-N 2.9Å; E216-L218 VanDerWaalsContact C-N 3.31Å; E216-L218 PolarHBondContact O-N 2.68Å; E216-K219 WeakPolarHBondContact O-CB 3.48Å; E216-K219 PolarHBondContact O-N 3.5Å; E216-Q220 PolarHBondContact O-N 3.17Å |
| 217 | L | 86.5 | Confident | 87.9 | Confident | 102 Ų | 102 | 119.5 Ų | 119.5 | 53% | 0.534 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.8 | -39.7 | 174.2 | -99.5 | 159.5 | 0 | 0 | 0 | 112.5 | R213 R221 | R213-L217 WeakPolarHBondContact O-CB 3.37Å; R213-L217 PolarHBondContact O-N 3.41Å; L217-R221 WeakPolarHBondContact O-CB 3.46Å; L217-R221 PolarHBondContact O-N 3.26Å |
| 218 | L | 89 | Confident | 87.3 | Confident | 116 Ų | 116 | 121.8 Ų | 121.8 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.9 | -43.6 | 176.5 | -168.7 | 71.7 | 0 | 0 | 0 | 110.6 | K214 A215 E216 R221 T222 | K214-L218 WeakPolarHBondContact O-CB 3.44Å; K214-L218 PolarHBondContact O-N 3.05Å; A215-L218 WeakPolarHBondContact O-CB 3.44Å; A215-L218 PolarHBondContact O-N 3.45Å; E216-L218 VanDerWaalsContact C-N 3.31Å; E216-L218 PolarHBondContact O-N 2.68Å; L218-R221 PolarHBondContact O-N 2.9Å; L218-T222 PolarHBondContact O-N 2.99Å; L218-T222 PolarHBondContact O-OG1 2.9Å |
| 219 | K | 86.3 | Confident | 86.8 | Confident | 140 Ų | 140 | 120 Ų | 120 | 61% | 0.609 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62 | -47.5 | 177.2 | -152.4 | -178.9 | -176.7 | -171.2 | 0 | 111.4 | A215 E216 R221 T222 E223 | A215-K219 PolarHBondContact O-N 3.02Å; E216-K219 WeakPolarHBondContact O-CB 3.48Å; E216-K219 PolarHBondContact O-N 3.5Å; K219-R221 VanDerWaalsContact C-N 3.34Å; K219-R221 PolarHBondContact O-N 3.41Å; K219-T222 PolarHBondContact O-N 3.19Å; K219-T222 PolarHBondContact O-OG1 3.43Å; K219-E223 PolarHBondContact O-N 3.36Å |
| 220 | Q | 85.4 | Confident | 86.1 | Confident | 113 Ų | 113 | 120.4 Ų | 120.4 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.9 | -39.1 | 174.1 | -81.1 | -173 | -20.2 | 0 | 0 | 112.8 | E216 T222 E223 N224 | E216-Q220 PolarHBondContact O-N 3.17Å; Q220-T222 VanDerWaalsContact C-N 3.34Å; Q220-T222 PolarHBondContact O-N 3.29Å; Q220-E223 PolarHBondContact O-N 3.34Å; Q220-N224 WeakPolarHBondContact O-CB 3.37Å; Q220-N224 PolarHBondContact O-N 3.15Å; Q220-N224 PolarHBondContact O-ND2 3.37Å |
| 221 | R | 82.9 | Confident | 85.4 | Confident | 178 Ų | 178 | 120.8 Ų | 120.8 | 67% | 0.672 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.1 | -43.4 | 174.3 | -87.7 | -174.2 | 175.2 | -176.9 | -1.5 | 111.8 | L217 L218 K219 N224 E225 | L217-R221 WeakPolarHBondContact O-CB 3.46Å; L217-R221 PolarHBondContact O-N 3.26Å; L218-R221 PolarHBondContact O-N 2.9Å; K219-R221 VanDerWaalsContact C-N 3.34Å; K219-R221 PolarHBondContact O-N 3.41Å; R221-N224 PolarHBondContact O-N 2.88Å; R221-E225 PolarHBondContact O-N 3Å |
| 222 | T | 86.1 | Confident | 84.8 | Confident | 68 Ų | 68 | 118.8 Ų | 118.8 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67 | -35.2 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | L218 K219 Q220 K226 | L218-T222 PolarHBondContact O-N 2.99Å; L218-T222 PolarHBondContact O-OG1 2.9Å; K219-T222 PolarHBondContact O-N 3.19Å; K219-T222 PolarHBondContact O-OG1 3.43Å; Q220-T222 VanDerWaalsContact C-N 3.34Å; Q220-T222 PolarHBondContact O-N 3.29Å; T222-K226 PolarHBondContact O-N 3.41Å; T222-K226 VanDerWaalsContact O-N 3.15Å |
| 223 | E | 85.8 | Confident | 84.2 | Confident | 105 Ų | 105 | 120.4 Ų | 120.4 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -43.9 | 173 | -80.6 | 171 | 173.3 | 0 | 0 | 111.6 | K219 Q220 E225 K226 L227 | K219-E223 PolarHBondContact O-N 3.36Å; Q220-E223 PolarHBondContact O-N 3.34Å; E223-E225 VanDerWaalsContact C-N 3.33Å; E223-E225 PolarHBondContact O-N 3.09Å; E223-K226 WeakPolarHBondContact O-CB 3.38Å; E223-K226 PolarHBondContact O-N 3.12Å; E223-K226 VanDerWaalsContact O-N 3.16Å; E223-L227 PolarHBondContact O-N 3.42Å |
| 224 | N | 86.1 | Confident | 83.6 | Confident | 102 Ų | 102 | 118.6 Ų | 118.6 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63 | -36.9 | 175.3 | -79.8 | -32.6 | 0 | 0 | 0 | 112.4 | Q220 R221 L227 K228 | Q220-N224 WeakPolarHBondContact O-CB 3.37Å; Q220-N224 PolarHBondContact O-N 3.15Å; Q220-N224 PolarHBondContact O-ND2 3.37Å; R221-N224 PolarHBondContact O-N 2.88Å; N224-L227 PolarHBondContact O-N 2.87Å; N224-K228 WeakPolarHBondContact O-CB 3.48Å; N224-K228 PolarHBondContact O-N 2.85Å |
| 225 | E | 83.6 | Confident | 82.8 | Confident | 127 Ų | 127 | 117.2 Ų | 117.2 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.7 | -35.9 | 173.3 | -87.3 | 178.3 | 154.2 | 0 | 0 | 112.7 | R221 E223 K229 | R221-E225 PolarHBondContact O-N 3Å; E223-E225 VanDerWaalsContact C-N 3.33Å; E223-E225 PolarHBondContact O-N 3.09Å; E225-K229 WeakPolarHBondContact O-CG 3.4Å; E225-K229 PolarHBondContact O-N 2.9Å; E225-K229 VanDerWaalsContact O-N 3.09Å |
| 226 | K | 83.4 | Confident | 81.8 | Confident | 145 Ų | 145 | 121.6 Ų | 121.6 | 63% | 0.63 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.2 | -50.1 | 172.6 | -76.6 | -178.7 | 177.9 | -177.1 | 0 | 111.5 | T222 E223 K228 K229 E230 | T222-K226 PolarHBondContact O-N 3.41Å; T222-K226 VanDerWaalsContact O-N 3.15Å; E223-K226 WeakPolarHBondContact O-CB 3.38Å; E223-K226 PolarHBondContact O-N 3.12Å; E223-K226 VanDerWaalsContact O-N 3.16Å; K226-K228 VanDerWaalsContact C-N 3.26Å; K226-K228 PolarHBondContact O-N 3.28Å; K226-K229 WeakPolarHBondContact O-CB 3.22Å; K226-K229 PolarHBondContact O-N 3.16Å; K226-K229 VanDerWaalsContact O-N 3.12Å; K226-E230 PolarHBondContact O-N 3.01Å |
| 227 | L | 80.2 | Confident | 80.7 | Confident | 90 Ų | 90 | 121.8 Ų | 121.8 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57 | -40.7 | 175.7 | -88.7 | 155.9 | 0 | 0 | 0 | 111.8 | E223 N224 E230 M231 | E223-L227 PolarHBondContact O-N 3.42Å; N224-L227 PolarHBondContact O-N 2.87Å; L227-E230 PolarHBondContact O-N 2.84Å; L227-M231 WeakPolarHBondContact O-CG 3.44Å; L227-M231 PolarHBondContact O-N 3.33Å |
| 228 | K | 82.1 | Confident | 79.6 | Confident | 135 Ų | 135 | 121.6 Ų | 121.6 | 59% | 0.587 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -41.1 | 177.5 | -163.8 | 179 | -178.9 | -172.7 | 0 | 111.9 | N224 K226 M231 E232 | N224-K228 WeakPolarHBondContact O-CB 3.48Å; N224-K228 PolarHBondContact O-N 2.85Å; K226-K228 VanDerWaalsContact C-N 3.26Å; K226-K228 PolarHBondContact O-N 3.28Å; K228-M231 PolarHBondContact O-N 3.49Å; K228-E232 WeakPolarHBondContact O-CB 3.17Å; K228-E232 WeakPolarHBondContact O-CG 3.43Å; K228-E232 PolarHBondContact O-N 3.49Å |
| 229 | K | 80.1 | Confident | 78.1 | Confident | 143 Ų | 143 | 124 Ų | 124 | 62% | 0.622 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.2 | -39.3 | 173.1 | -76.8 | 177.1 | 179.8 | 178.8 | 0 | 112.5 | E225 K226 E232 L233 | E225-K229 WeakPolarHBondContact O-CG 3.4Å; E225-K229 PolarHBondContact O-N 2.9Å; E225-K229 VanDerWaalsContact O-N 3.09Å; K226-K229 WeakPolarHBondContact O-CB 3.22Å; K226-K229 PolarHBondContact O-N 3.16Å; K226-K229 VanDerWaalsContact O-N 3.12Å; K229-E232 PolarHBondContact O-N 3.28Å; K229-L233 PolarHBondContact O-N 2.88Å |
| 230 | E | 80.4 | Confident | 76.6 | Confident | 122 Ų | 122 | 124 Ų | 124 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.9 | -43.8 | 174.8 | -75.3 | 174.6 | -176.1 | 0 | 0 | 111.3 | K226 L227 L233 F234 | K226-E230 PolarHBondContact O-N 3.01Å; L227-E230 PolarHBondContact O-N 2.84Å; E230-L233 WeakPolarHBondContact O-CB 3.47Å; E230-L233 PolarHBondContact O-N 2.89Å; E230-F234 WeakPolarHBondContact O-CB 3.46Å; E230-F234 PolarHBondContact O-N 3.4Å |
| 231 | M | 77.2 | Confident | 74.9 | Confident | 110 Ų | 110 | 128.2 Ų | 128.2 | 54% | 0.542 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.1 | -40.5 | 174.4 | -72.7 | -175.1 | 77.5 | 0 | 0 | 112.3 | L227 K228 L233 F234 F235 | L227-M231 WeakPolarHBondContact O-CG 3.44Å; L227-M231 PolarHBondContact O-N 3.33Å; K228-M231 PolarHBondContact O-N 3.49Å; M231-L233 VanDerWaalsContact C-N 3.32Å; M231-L233 PolarHBondContact O-N 2.91Å; M231-F234 PolarHBondContact O-N 2.83Å; M231-F235 HydrophobicContact CE-CE2 4.11Å; M231-F235 WeakPolarHBondContact O-CB 3.48Å; M231-F235 WeakPolarHBondContact O-CD2 3.46Å; M231-F235 PolarHBondContact O-N 3.26Å |
| 232 | E | 78.3 | Confident | 74.5 | Confident | 114 Ų | 114 | 125.7 Ų | 125.7 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.1 | -37.8 | 174.9 | -78.7 | 173 | -171.4 | 0 | 0 | 112.1 | K228 K229 K236 | K228-E232 WeakPolarHBondContact O-CB 3.17Å; K228-E232 WeakPolarHBondContact O-CG 3.43Å; K228-E232 PolarHBondContact O-N 3.49Å; K229-E232 PolarHBondContact O-N 3.28Å; E232-K236 PolarHBondContact O-N 2.96Å |
| 233 | L | 77.1 | Confident | 73.8 | Confident | 106 Ų | 106 | 128.7 Ų | 128.7 | 56% | 0.555 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.4 | -46.9 | 171.2 | -110.8 | 126.7 | 0 | 0 | 0 | 111.3 | K229 E230 M231 F235 K236 E237 | K229-L233 PolarHBondContact O-N 2.88Å; E230-L233 WeakPolarHBondContact O-CB 3.47Å; E230-L233 PolarHBondContact O-N 2.89Å; M231-L233 VanDerWaalsContact C-N 3.32Å; M231-L233 PolarHBondContact O-N 2.91Å; L233-F235 VanDerWaalsContact C-N 3.33Å; L233-F235 PolarHBondContact O-N 3.43Å; L233-K236 WeakPolarHBondContact O-CB 3.46Å; L233-K236 PolarHBondContact O-N 3.05Å; L233-K236 VanDerWaalsContact O-N 3.14Å; L233-E237 PolarHBondContact O-N 3.42Å |
| 234 | F | 76.9 | Confident | 73.2 | Confident | 141 Ų | 141 | 130.1 Ų | 130.1 | 62% | 0.618 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.9 | -38.4 | 178.7 | -138.3 | -82.8 | 0 | 0 | 0 | 112.3 | E230 M231 E237 M238 | E230-F234 WeakPolarHBondContact O-CB 3.46Å; E230-F234 PolarHBondContact O-N 3.4Å; M231-F234 PolarHBondContact O-N 2.83Å; F234-E237 PolarHBondContact O-N 2.92Å; F234-M238 PolarHBondContact O-N 2.89Å |
| 235 | F | 72.5 | Confident | 72.4 | Confident | 128 Ų | 128 | 131.7 Ų | 131.7 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.1 | -32.9 | 174.7 | -83.7 | -60.9 | 0 | 0 | 0 | 112.5 | M231 L233 M238 H239 | M231-F235 HydrophobicContact CE-CE2 4.11Å; M231-F235 WeakPolarHBondContact O-CB 3.48Å; M231-F235 WeakPolarHBondContact O-CD2 3.46Å; M231-F235 PolarHBondContact O-N 3.26Å; L233-F235 VanDerWaalsContact C-N 3.33Å; L233-F235 PolarHBondContact O-N 3.43Å; F235-M238 HydrophobicContact CD1-CE 4Å; F235-M238 HydrophobicContact CE1-CE 4.05Å; F235-H239 WeakPolarHBondContact O-CB 3.36Å; F235-H239 PolarHBondContact O-N 3.1Å; F235-H239 VanDerWaalsContact O-N 3.07Å |
| 236 | K | 67.1 | Low | 71.7 | Confident | 154 Ų | 154 | 132 Ų | 132 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.2 | -48.2 | 169.9 | -108 | 178.9 | 174.4 | 179.1 | 0 | 111.3 | E232 L233 M238 H239 D240 | E232-K236 PolarHBondContact O-N 2.96Å; L233-K236 WeakPolarHBondContact O-CB 3.46Å; L233-K236 PolarHBondContact O-N 3.05Å; L233-K236 VanDerWaalsContact O-N 3.14Å; K236-M238 VanDerWaalsContact C-N 3.29Å; K236-M238 PolarHBondContact O-N 3.37Å; K236-H239 PolarHBondContact O-N 3.14Å; K236-D240 PolarHBondContact O-N 3.07Å; K236-D240 VanDerWaalsContact O-N 3.1Å |
| 237 | E | 68.7 | Low | 70.9 | Confident | 118 Ų | 118 | 131.1 Ų | 131.1 | 55% | 0.551 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.1 | -34.1 | 178.2 | -73 | 179.7 | 172.2 | 0 | 0 | 112.5 | L233 F234 | L233-E237 PolarHBondContact O-N 3.42Å; F234-E237 PolarHBondContact O-N 2.92Å |
| 238 | M | 62.6 | Low | 70.3 | Confident | 99 Ų | 99 | 134.1 Ų | 134.1 | 49% | 0.488 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.8 | -29.3 | 171.6 | -87.9 | -140.5 | -47.6 | 0 | 0 | 114.2 | F234 F235 K236 D240 M241 | F234-M238 PolarHBondContact O-N 2.89Å; F235-M238 HydrophobicContact CD1-CE 4Å; F235-M238 HydrophobicContact CE1-CE 4.05Å; K236-M238 VanDerWaalsContact C-N 3.29Å; K236-M238 PolarHBondContact O-N 3.37Å; M238-D240 VanDerWaalsContact C-N 3.29Å; M238-M241 HydrophobicContact CB-CE 4.34Å; M238-M241 HydrophobicContact CG-CE 3.87Å; M238-M241 HydrophobicContact SD-CE 4.49Å |
| 239 | H | 58.4 | Low | 69.4 | Low | 165 Ų | 165 | 134 Ų | 134 | 76% | 0.764 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.9 | -19.5 | 178.7 | -150.8 | 62.7 | 0 | 0 | 0 | 112.3 | F235 K236 | F235-H239 WeakPolarHBondContact O-CB 3.36Å; F235-H239 PolarHBondContact O-N 3.1Å; F235-H239 VanDerWaalsContact O-N 3.07Å; K236-H239 PolarHBondContact O-N 3.14Å |
| 240 | D | 53.3 | Low | 68.5 | Low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 0.7 | 176.4 | -67.9 | -20.1 | 0 | 0 | 0 | 113.3 | K236 M238 | K236-D240 PolarHBondContact O-N 3.07Å; K236-D240 VanDerWaalsContact O-N 3.1Å; M238-D240 VanDerWaalsContact C-N 3.29Å |
| 241 | M | 49.4 | Very low | 67.4 | Low | 202 Ų | 202 | 134.3 Ų | 134.3 | 100% | 0.995 | 64% | 0.639 | S | S | * | * | trans | -83.4 | 0 | 164.8 | -81.3 | -165.5 | -67.5 | 0 | 0 | 111.5 | M238 | M238-M241 HydrophobicContact CB-CE 4.34Å; M238-M241 HydrophobicContact CG-CE 3.87Å; M238-M241 HydrophobicContact SD-CE 4.49Å |
Retrieved 241 of 241 residues in 188.2 ms
(Link to these results)