| 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 | 33.2 | Very low | 32 | Very low | 196 Ų | 196 | 131.8 Ų | 131.8 | 97% | 0.966 | 64% | 0.636 | S | S | * | * | 0 | -53.8 | 0 | -90.9 | 179.6 | -167.8 | 0 | 0 | 111.7 | R4 I5 | M1-R4 PolarHBondContact O-N 2.91Å; M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.33Å | |||
| 2 | R | 29.5 | Very low | 32 | Very low | 209 Ų | 209 | 127.3 Ų | 127.3 | 79% | 0.789 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.3 | -49.6 | -179.9 | -156.6 | 173.6 | -84.6 | -154 | -3.7 | 112.9 | R4 I5 D6 | R2-R4 VanDerWaalsContact C-N 3.31Å; R2-R4 PolarHBondContact O-N 2.72Å; R2-I5 PolarHBondContact O-N 3.19Å; R2-I5 VanDerWaalsContact O-N 3.11Å; R2-D6 PolarHBondContact O-N 3.17Å |
| 3 | E | 29.3 | Very low | 32.2 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -54.1 | -41.9 | 173.4 | -86.3 | 172 | 149.4 | 0 | 0 | 113.8 | I5 D6 E7 | E3-I5 VanDerWaalsContact C-N 3.33Å; E3-I5 PolarHBondContact O-N 3.45Å; E3-D6 PolarHBondContact O-N 3.41Å; E3-E7 VanDerWaalsContact O-CB 3.27Å; E3-E7 WeakPolarHBondContact O-CB 3Å; E3-E7 PolarHBondContact O-N 3.31Å |
| 4 | R | 31.1 | Very low | 32.4 | Very low | 197 Ų | 197 | 118.9 Ų | 118.9 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74.6 | -20.5 | -178.1 | -65.3 | -171.2 | 68.6 | -173.5 | 1.3 | 114.2 | M1 R2 A8 | M1-R4 PolarHBondContact O-N 2.91Å; R2-R4 VanDerWaalsContact C-N 3.31Å; R2-R4 PolarHBondContact O-N 2.72Å; R4-A8 WeakPolarHBondContact O-CB 3.49Å; R4-A8 PolarHBondContact O-N 3.43Å |
| 5 | I | 31.6 | Very low | 32.5 | Very low | 95 Ų | 95 | 115.1 Ų | 115.1 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -82.6 | -39.6 | 174.2 | -70.2 | 167.9 | 0 | 0 | 0 | 109.3 | M1 R2 E3 E7 G9 | M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.33Å; R2-I5 PolarHBondContact O-N 3.19Å; R2-I5 VanDerWaalsContact O-N 3.11Å; E3-I5 VanDerWaalsContact C-N 3.33Å; E3-I5 PolarHBondContact O-N 3.45Å; I5-E7 VanDerWaalsContact C-N 3.34Å; I5-G9 PolarHBondContact O-N 3.38Å |
| 6 | D | 34.2 | Very low | 32.6 | Very low | 103 Ų | 103 | 111 Ų | 111 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.2 | -39.7 | 175.3 | -64.9 | -30.8 | 0 | 0 | 0 | 111 | R2 E3 G9 H10 | R2-D6 PolarHBondContact O-N 3.17Å; E3-D6 PolarHBondContact O-N 3.41Å; D6-G9 PolarHBondContact O-N 2.77Å; D6-H10 WeakPolarHBondContact O-CB 3.11Å; D6-H10 PolarHBondContact O-N 2.84Å |
| 7 | E | 32.5 | Very low | 32.8 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.6 | -43.1 | 178 | -158.8 | 167.2 | -143.6 | 0 | 0 | 112.4 | E3 I5 G9 H10 E11 | E3-E7 VanDerWaalsContact O-CB 3.27Å; E3-E7 WeakPolarHBondContact O-CB 3Å; E3-E7 PolarHBondContact O-N 3.31Å; I5-E7 VanDerWaalsContact C-N 3.34Å; E7-G9 PolarHBondContact O-N 3.48Å; E7-H10 PolarHBondContact O-N 3.33Å; E7-E11 PolarHBondContact O-N 2.8Å |
| 8 | A | 32.5 | Very low | 32.9 | Very low | 51 Ų | 51 | 112.9 Ų | 112.9 | 42% | 0.421 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.4 | -32.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | R4 H10 V12 | R4-A8 WeakPolarHBondContact O-CB 3.49Å; R4-A8 PolarHBondContact O-N 3.43Å; A8-H10 VanDerWaalsContact C-N 3.34Å; A8-V12 VanDerWaalsContact O-CG2 3.22Å; A8-V12 WeakPolarHBondContact O-CG2 3.06Å; A8-V12 PolarHBondContact O-N 3.28Å |
| 9 | G | 30.4 | Very low | 32.9 | Very low | 44 Ų | 44 | 108.9 Ų | 108.9 | 45% | 0.454 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.5 | -36.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I5 D6 E7 A13 | I5-G9 PolarHBondContact O-N 3.38Å; D6-G9 PolarHBondContact O-N 2.77Å; E7-G9 PolarHBondContact O-N 3.48Å; G9-A13 WeakPolarHBondContact O-CB 3.03Å; G9-A13 PolarHBondContact O-N 3.15Å; G9-A13 VanDerWaalsContact O-N 3.14Å |
| 10 | H | 34.5 | Very low | 32.9 | Very low | 140 Ų | 140 | 105.6 Ų | 105.6 | 65% | 0.648 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.6 | -43.9 | 178 | -136.3 | -71.4 | 0 | 0 | 0 | 112.1 | D6 E7 A8 V12 A13 E14 | D6-H10 WeakPolarHBondContact O-CB 3.11Å; D6-H10 PolarHBondContact O-N 2.84Å; E7-H10 PolarHBondContact O-N 3.33Å; A8-H10 VanDerWaalsContact C-N 3.34Å; H10-V12 PolarHBondContact O-N 3.12Å; H10-A13 PolarHBondContact O-N 3.43Å; H10-E14 WeakPolarHBondContact O-CB 3.2Å; H10-E14 PolarHBondContact O-N 3.41Å |
| 11 | E | 33.2 | Very low | 33 | Very low | 130 Ų | 130 | 105.2 Ų | 105.2 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.6 | -35.9 | 177.7 | -73.2 | -178.2 | 168.6 | 0 | 0 | 112.7 | E7 A15 | E7-E11 PolarHBondContact O-N 2.8Å; E11-A15 WeakPolarHBondContact O-CB 3.21Å; E11-A15 PolarHBondContact O-N 3.49Å |
| 12 | V | 32.1 | Very low | 33.1 | Very low | 77 Ų | 77 | 99.4 Ų | 99.4 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.2 | -37 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | A8 H10 A16 M133 | A8-V12 VanDerWaalsContact O-CG2 3.22Å; A8-V12 WeakPolarHBondContact O-CG2 3.06Å; A8-V12 PolarHBondContact O-N 3.28Å; H10-V12 PolarHBondContact O-N 3.12Å; V12-A16 WeakPolarHBondContact O-CB 3.47Å; V12-A16 PolarHBondContact O-N 3.34Å; V12-A16 VanDerWaalsContact O-N 3.1Å; V12-M133 HydrophobicContact CG1-CE 4.23Å |
| 13 | A | 34.4 | Very low | 33.4 | Very low | 29 Ų | 29 | 93.9 Ų | 93.9 | 24% | 0.24 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G9 H10 A16 E17 | G9-A13 WeakPolarHBondContact O-CB 3.03Å; G9-A13 PolarHBondContact O-N 3.15Å; G9-A13 VanDerWaalsContact O-N 3.14Å; H10-A13 PolarHBondContact O-N 3.43Å; A13-A16 PolarHBondContact O-N 2.88Å; A13-E17 WeakPolarHBondContact O-CB 3.01Å; A13-E17 PolarHBondContact O-N 3.12Å |
| 14 | E | 34.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 88.3 Ų | 88.3 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 178.6 | -166.8 | 170.7 | -167.5 | 0 | 0 | 111.7 | H10 A16 E17 E18 | H10-E14 WeakPolarHBondContact O-CB 3.2Å; H10-E14 PolarHBondContact O-N 3.41Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.42Å; E14-E17 PolarHBondContact O-N 3.34Å; E14-E18 WeakPolarHBondContact O-CB 3.29Å; E14-E18 PolarHBondContact O-N 2.84Å |
| 15 | A | 35.2 | Very low | 33.9 | Very low | 63 Ų | 63 | 85 Ų | 85 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -34.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | E11 G19 | E11-A15 WeakPolarHBondContact O-CB 3.21Å; E11-A15 PolarHBondContact O-N 3.49Å; A15-G19 PolarHBondContact O-N 3.44Å |
| 16 | A | 34.1 | Very low | 34.1 | Very low | 49 Ų | 49 | 87.9 Ų | 87.9 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70 | -37.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V12 A13 E14 S20 | V12-A16 WeakPolarHBondContact O-CB 3.47Å; V12-A16 PolarHBondContact O-N 3.34Å; V12-A16 VanDerWaalsContact O-N 3.1Å; A13-A16 PolarHBondContact O-N 2.88Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.42Å; A16-S20 VanDerWaalsContact O-CB 3.3Å; A16-S20 WeakPolarHBondContact O-CB 3.32Å; A16-S20 PolarHBondContact O-N 3.01Å |
| 17 | E | 34.7 | Very low | 34.2 | Very low | 129 Ų | 129 | 86.3 Ų | 86.3 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.6 | -42.5 | 178 | -164 | 172.8 | -169 | 0 | 0 | 111.9 | A13 E14 S20 N21 | A13-E17 WeakPolarHBondContact O-CB 3.01Å; A13-E17 PolarHBondContact O-N 3.12Å; E14-E17 PolarHBondContact O-N 3.34Å; E17-S20 PolarHBondContact O-N 2.75Å; E17-N21 WeakPolarHBondContact O-CB 3.45Å; E17-N21 PolarHBondContact O-N 2.86Å |
| 18 | E | 36 | Very low | 34.3 | Very low | 128 Ų | 128 | 81.6 Ų | 81.6 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.3 | -40.4 | 173.4 | -78 | -165 | 147.7 | 0 | 0 | 112.4 | E14 N21 T22 | E14-E18 WeakPolarHBondContact O-CB 3.29Å; E14-E18 PolarHBondContact O-N 2.84Å; E18-N21 PolarHBondContact O-N 3.3Å; E18-T22 WeakPolarHBondContact O-CB 3.39Å; E18-T22 PolarHBondContact O-N 3.06Å; E18-T22 PolarHBondContact O-OG1 2.76Å |
| 19 | G | 32.5 | Very low | 34.6 | Very low | 36 Ų | 36 | 86.2 Ų | 86.2 | 37% | 0.371 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A15 T22 V23 | A15-G19 PolarHBondContact O-N 3.44Å; G19-T22 PolarHBondContact O-N 3.5Å; G19-V23 WeakPolarHBondContact O-CB 3.13Å; G19-V23 VanDerWaalsContact O-CG2 3.3Å; G19-V23 WeakPolarHBondContact O-CG2 3.44Å; G19-V23 PolarHBondContact O-N 2.93Å |
| 20 | S | 32.5 | Very low | 34.8 | Very low | 43 Ų | 43 | 87.2 Ų | 87.2 | 30% | 0.301 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | A16 E17 T22 V23 G24 | A16-S20 VanDerWaalsContact O-CB 3.3Å; A16-S20 WeakPolarHBondContact O-CB 3.32Å; A16-S20 PolarHBondContact O-N 3.01Å; E17-S20 PolarHBondContact O-N 2.75Å; S20-T22 VanDerWaalsContact C-N 3.33Å; S20-T22 PolarHBondContact O-N 2.87Å; S20-V23 PolarHBondContact O-N 3.37Å; S20-G24 PolarHBondContact O-N 3.5Å |
| 21 | N | 35.4 | Very low | 34.9 | Very low | 98 Ų | 98 | 82.8 Ų | 82.8 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 176.9 | -87.4 | -31.4 | 0 | 0 | 0 | 112.4 | E17 E18 Q25 | E17-N21 WeakPolarHBondContact O-CB 3.45Å; E17-N21 PolarHBondContact O-N 2.86Å; E18-N21 PolarHBondContact O-N 3.3Å; N21-Q25 WeakPolarHBondContact O-CB 3.39Å; N21-Q25 WeakPolarHBondContact O-CG 2.97Å; N21-Q25 PolarHBondContact O-N 3.35Å |
| 22 | T | 35.6 | Very low | 35.2 | Very low | 73 Ų | 73 | 80 Ų | 80 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.9 | -40.9 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | E18 G19 S20 K26 | E18-T22 WeakPolarHBondContact O-CB 3.39Å; E18-T22 PolarHBondContact O-N 3.06Å; E18-T22 PolarHBondContact O-OG1 2.76Å; G19-T22 PolarHBondContact O-N 3.5Å; S20-T22 VanDerWaalsContact C-N 3.33Å; S20-T22 PolarHBondContact O-N 2.87Å; T22-K26 PolarHBondContact O-N 3.49Å; T22-K26 VanDerWaalsContact O-N 3.07Å |
| 23 | V | 34.4 | Very low | 35.6 | Very low | 94 Ų | 94 | 79.2 Ų | 79.2 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67 | -42.1 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | G19 S20 K26 T27 | G19-V23 WeakPolarHBondContact O-CB 3.13Å; G19-V23 VanDerWaalsContact O-CG2 3.3Å; G19-V23 WeakPolarHBondContact O-CG2 3.44Å; G19-V23 PolarHBondContact O-N 2.93Å; S20-V23 PolarHBondContact O-N 3.37Å; V23-K26 PolarHBondContact O-N 2.89Å; V23-T27 VanDerWaalsContact O-CB 3.22Å; V23-T27 WeakPolarHBondContact O-CB 3.25Å; V23-T27 PolarHBondContact O-N 3.21Å; V23-T27 PolarHBondContact O-OG1 3.32Å |
| 24 | G | 34.6 | Very low | 35.7 | Very low | 46 Ų | 46 | 80.6 Ų | 80.6 | 47% | 0.474 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S20 G28 | S20-G24 PolarHBondContact O-N 3.5Å; G24-G28 PolarHBondContact O-N 2.78Å |
| 25 | Q | 37.3 | Very low | 35.8 | Very low | 127 Ų | 127 | 78.2 Ų | 78.2 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.2 | -40.8 | 178.3 | -78.7 | -172.5 | 11.2 | 0 | 0 | 113.4 | N21 K29 | N21-Q25 WeakPolarHBondContact O-CB 3.39Å; N21-Q25 WeakPolarHBondContact O-CG 2.97Å; N21-Q25 PolarHBondContact O-N 3.35Å; Q25-K29 WeakPolarHBondContact O-CG 3.35Å; Q25-K29 PolarHBondContact O-N 2.76Å; Q25-K29 VanDerWaalsContact O-N 3.09Å |
| 26 | K | 36.5 | Very low | 36.2 | Very low | 156 Ų | 156 | 79.5 Ų | 79.5 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.9 | -40 | 178.6 | -78 | -176.6 | 178.5 | 177 | 0 | 112 | T22 V23 A30 | T22-K26 PolarHBondContact O-N 3.49Å; T22-K26 VanDerWaalsContact O-N 3.07Å; V23-K26 PolarHBondContact O-N 2.89Å; K26-A30 PolarHBondContact O-N 2.82Å; K26-A30 VanDerWaalsContact O-N 3.13Å |
| 27 | T | 34.8 | Very low | 36.4 | Very low | 71 Ų | 71 | 83.7 Ų | 83.7 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 175.7 | -53.4 | 0 | 0 | 0 | 0 | 111 | V23 K29 A30 I31 | V23-T27 VanDerWaalsContact O-CB 3.22Å; V23-T27 WeakPolarHBondContact O-CB 3.25Å; V23-T27 PolarHBondContact O-N 3.21Å; V23-T27 PolarHBondContact O-OG1 3.32Å; T27-K29 PolarHBondContact O-N 2.78Å; T27-A30 PolarHBondContact O-N 3.02Å; T27-I31 HydrophobicContact CG2-CD1 3.84Å; T27-I31 VanDerWaalsContact O-CG1 3.3Å; T27-I31 WeakPolarHBondContact O-CG1 3.2Å; T27-I31 PolarHBondContact O-N 2.83Å |
| 28 | G | 35.1 | Very low | 36.5 | Very low | 21 Ų | 21 | 80.3 Ų | 80.3 | 22% | 0.216 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -57.9 | -49.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G24 A30 I31 D32 | G24-G28 PolarHBondContact O-N 2.78Å; G28-A30 PolarHBondContact O-N 3.5Å; G28-I31 PolarHBondContact O-N 2.68Å; G28-D32 WeakPolarHBondContact O-CB 3.4Å; G28-D32 PolarHBondContact O-N 3.09Å |
| 29 | K | 38.8 | Very low | 36.7 | Very low | 148 Ų | 148 | 80.1 Ų | 80.1 | 64% | 0.643 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.5 | -36.1 | 178.5 | -74 | 177.2 | -179.6 | 178.5 | 0 | 113.7 | Q25 T27 S33 | Q25-K29 WeakPolarHBondContact O-CG 3.35Å; Q25-K29 PolarHBondContact O-N 2.76Å; Q25-K29 VanDerWaalsContact O-N 3.09Å; T27-K29 PolarHBondContact O-N 2.78Å; K29-S33 WeakPolarHBondContact O-CB 3.31Å; K29-S33 PolarHBondContact O-N 2.71Å; K29-S33 VanDerWaalsContact O-N 3.1Å |
| 30 | A | 35 | Very low | 37.1 | Very low | 65 Ų | 65 | 83.5 Ų | 83.5 | 54% | 0.537 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.2 | -36.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K26 T27 G28 A34 | K26-A30 PolarHBondContact O-N 2.82Å; K26-A30 VanDerWaalsContact O-N 3.13Å; T27-A30 PolarHBondContact O-N 3.02Å; G28-A30 PolarHBondContact O-N 3.5Å; A30-A34 PolarHBondContact O-N 3.33Å; A30-A34 VanDerWaalsContact O-N 3.17Å |
| 31 | I | 36 | Very low | 37.3 | Very low | 48 Ų | 48 | 86.1 Ų | 86.1 | 25% | 0.246 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -72.8 | -43.1 | 176.7 | -66.8 | 169.7 | 0 | 0 | 0 | 110.8 | T27 G28 S33 A34 V35 K115 | T27-I31 HydrophobicContact CG2-CD1 3.84Å; T27-I31 VanDerWaalsContact O-CG1 3.3Å; T27-I31 WeakPolarHBondContact O-CG1 3.2Å; T27-I31 PolarHBondContact O-N 2.83Å; G28-I31 PolarHBondContact O-N 2.68Å; I31-S33 VanDerWaalsContact C-N 3.28Å; I31-S33 PolarHBondContact O-N 2.73Å; I31-A34 WeakPolarHBondContact O-CA 3.48Å; I31-A34 WeakPolarHBondContact O-CB 3.23Å; I31-A34 PolarHBondContact O-N 2.73Å; I31-V35 HydrophobicContact CG2-CG2 4.39Å; I31-V35 WeakPolarHBondContact O-CG2 3.1Å; I31-V35 PolarHBondContact O-N 2.8Å; I31-K115 HydrophobicContact CD1-CB 4.46Å; I31-K115 HydrophobicContact CD1-CG 4.2Å; I31-K115 HydrophobicContact CG2-CB 4.31Å; I31-K115 HydrophobicContact CG2-CD 3.79Å; I31-K115 HydrophobicContact CG2-CG 4.1Å |
| 32 | D | 40.3 | Very low | 37.5 | Very low | 72 Ų | 72 | 83.7 Ų | 83.7 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 176.7 | -67 | -16.2 | 0 | 0 | 0 | 110.4 | G28 A34 V35 D36 K115 | G28-D32 WeakPolarHBondContact O-CB 3.4Å; G28-D32 PolarHBondContact O-N 3.09Å; D32-A34 VanDerWaalsContact C-N 3.29Å; D32-A34 PolarHBondContact O-N 3.28Å; D32-V35 PolarHBondContact O-N 3.27Å; D32-D36 PolarHBondContact O-N 3Å; D32-K115 IonicContact OD1-NZ 3.63Å; D32-K115 PolarHBondContact OD1-NZ 3.27Å |
| 33 | S | 39.6 | Very low | 37.7 | Very low | 59 Ų | 59 | 85.9 Ų | 85.9 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -25.9 | 173.9 | -168.5 | 0 | 0 | 0 | 0 | 114.3 | K29 I31 K37 | K29-S33 WeakPolarHBondContact O-CB 3.31Å; K29-S33 PolarHBondContact O-N 2.71Å; K29-S33 VanDerWaalsContact O-N 3.1Å; I31-S33 VanDerWaalsContact C-N 3.28Å; I31-S33 PolarHBondContact O-N 2.73Å; S33-K37 PolarHBondContact O-N 2.87Å |
| 34 | A | 36.3 | Very low | 38 | Very low | 59 Ų | 59 | 83.3 Ų | 83.3 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.5 | -35.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | A30 I31 D32 A38 | A30-A34 PolarHBondContact O-N 3.33Å; A30-A34 VanDerWaalsContact O-N 3.17Å; I31-A34 WeakPolarHBondContact O-CA 3.48Å; I31-A34 WeakPolarHBondContact O-CB 3.23Å; I31-A34 PolarHBondContact O-N 2.73Å; D32-A34 VanDerWaalsContact C-N 3.29Å; D32-A34 PolarHBondContact O-N 3.28Å; A34-A38 WeakPolarHBondContact O-CB 3.3Å; A34-A38 PolarHBondContact O-N 2.71Å |
| 35 | V | 38 | Very low | 38.1 | Very low | 57 Ų | 57 | 84.3 Ų | 84.3 | 35% | 0.345 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -48 | 173.1 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | I31 D32 K37 A38 E39 | I31-V35 HydrophobicContact CG2-CG2 4.39Å; I31-V35 WeakPolarHBondContact O-CG2 3.1Å; I31-V35 PolarHBondContact O-N 2.8Å; D32-V35 PolarHBondContact O-N 3.27Å; V35-K37 VanDerWaalsContact C-N 3.27Å; V35-K37 PolarHBondContact O-N 2.89Å; V35-A38 WeakPolarHBondContact O-CB 3.18Å; V35-A38 PolarHBondContact O-N 2.85Å; V35-E39 PolarHBondContact O-N 3.37Å |
| 36 | D | 42.5 | Very low | 38.2 | Very low | 91 Ų | 91 | 84.5 Ų | 84.5 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | 177.5 | -65.9 | -19 | 0 | 0 | 0 | 111.4 | D32 E39 D40 | D32-D36 PolarHBondContact O-N 3Å; D36-E39 PolarHBondContact O-N 3.45Å; D36-D40 PolarHBondContact O-N 2.73Å |
| 37 | K | 39.2 | Very low | 38.5 | Very low | 137 Ų | 137 | 80.6 Ų | 80.6 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.3 | -33.6 | 175.3 | -85.2 | 175.8 | 178.6 | 169.4 | 0 | 113.7 | S33 V35 E39 V41 | S33-K37 PolarHBondContact O-N 2.87Å; V35-K37 VanDerWaalsContact C-N 3.27Å; V35-K37 PolarHBondContact O-N 2.89Å; K37-E39 VanDerWaalsContact C-N 3.35Å; K37-V41 WeakPolarHBondContact O-CB 3.32Å; K37-V41 VanDerWaalsContact O-CG2 3.26Å; K37-V41 WeakPolarHBondContact O-CG2 3.11Å; K37-V41 PolarHBondContact O-N 3.46Å |
| 38 | A | 36.7 | Very low | 38.7 | Very low | 57 Ų | 57 | 85.8 Ų | 85.8 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A34 V35 V41 A42 | A34-A38 WeakPolarHBondContact O-CB 3.3Å; A34-A38 PolarHBondContact O-N 2.71Å; V35-A38 WeakPolarHBondContact O-CB 3.18Å; V35-A38 PolarHBondContact O-N 2.85Å; A38-V41 PolarHBondContact O-N 3.31Å; A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 2.83Å |
| 39 | E | 38.9 | Very low | 38.8 | Very low | 124 Ų | 124 | 87.2 Ų | 87.2 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 171.6 | -72.8 | -172.6 | 164.5 | 0 | 0 | 111.4 | V35 D36 K37 V41 A42 E43 | V35-E39 PolarHBondContact O-N 3.37Å; D36-E39 PolarHBondContact O-N 3.45Å; K37-E39 VanDerWaalsContact C-N 3.35Å; E39-V41 VanDerWaalsContact C-N 3.32Å; E39-V41 PolarHBondContact O-N 3.49Å; E39-A42 PolarHBondContact O-N 2.81Å; E39-A42 VanDerWaalsContact O-N 3.17Å; E39-E43 WeakPolarHBondContact O-CB 3.28Å; E39-E43 PolarHBondContact O-N 2.74Å |
| 40 | D | 42.1 | Very low | 38.9 | Very low | 107 Ų | 107 | 84.6 Ų | 84.6 | 57% | 0.572 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.9 | -40.4 | 174.4 | -83 | -16.1 | 0 | 0 | 0 | 112.4 | D36 G44 | D36-D40 PolarHBondContact O-N 2.73Å; D40-G44 PolarHBondContact O-N 3.44Å |
| 41 | V | 37 | Very low | 39.3 | Very low | 99 Ų | 99 | 88.7 Ų | 88.7 | 60% | 0.6 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70 | -39.2 | 177 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | K37 A38 E39 T45 | K37-V41 WeakPolarHBondContact O-CB 3.32Å; K37-V41 VanDerWaalsContact O-CG2 3.26Å; K37-V41 WeakPolarHBondContact O-CG2 3.11Å; K37-V41 PolarHBondContact O-N 3.46Å; A38-V41 PolarHBondContact O-N 3.31Å; E39-V41 VanDerWaalsContact C-N 3.32Å; E39-V41 PolarHBondContact O-N 3.49Å; V41-T45 VanDerWaalsContact O-CB 3.28Å; V41-T45 WeakPolarHBondContact O-CB 3.42Å; V41-T45 PolarHBondContact O-N 2.81Å; V41-T45 PolarHBondContact O-OG1 2.77Å |
| 42 | A | 38.1 | Very low | 39.3 | Very low | 46 Ų | 46 | 92.7 Ų | 92.7 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A38 E39 T45 K46 | A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 2.83Å; E39-A42 PolarHBondContact O-N 2.81Å; E39-A42 VanDerWaalsContact O-N 3.17Å; A42-T45 PolarHBondContact O-N 2.75Å; A42-K46 WeakPolarHBondContact O-CB 3.1Å; A42-K46 PolarHBondContact O-N 2.83Å |
| 43 | E | 41.4 | Very low | 39.3 | Very low | 120 Ų | 120 | 93.9 Ų | 93.9 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.9 | -39.4 | 177.5 | -168.1 | 169.3 | -157.1 | 0 | 0 | 111.6 | E39 T45 K46 N47 | E39-E43 WeakPolarHBondContact O-CB 3.28Å; E39-E43 PolarHBondContact O-N 2.74Å; E43-T45 VanDerWaalsContact C-N 3.33Å; E43-T45 PolarHBondContact O-N 2.67Å; E43-K46 PolarHBondContact O-N 2.75Å; E43-N47 WeakPolarHBondContact O-CB 2.92Å; E43-N47 PolarHBondContact O-N 2.76Å; E43-N47 PolarHBondContact O-ND2 2.77Å |
| 44 | G | 38.9 | Very low | 39.5 | Very low | 39 Ų | 39 | 95.6 Ų | 95.6 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | D40 R48 | D40-G44 PolarHBondContact O-N 3.44Å; G44-R48 WeakPolarHBondContact O-CB 2.86Å; G44-R48 PolarHBondContact O-N 2.81Å |
| 45 | T | 37.2 | Very low | 39.8 | Very low | 67 Ų | 67 | 95.7 Ų | 95.7 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72 | -41.5 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | V41 A42 E43 R48 A49 V100 | V41-T45 VanDerWaalsContact O-CB 3.28Å; V41-T45 WeakPolarHBondContact O-CB 3.42Å; V41-T45 PolarHBondContact O-N 2.81Å; V41-T45 PolarHBondContact O-OG1 2.77Å; A42-T45 PolarHBondContact O-N 2.75Å; E43-T45 VanDerWaalsContact C-N 3.33Å; E43-T45 PolarHBondContact O-N 2.67Å; T45-R48 PolarHBondContact O-N 2.69Å; T45-A49 WeakPolarHBondContact O-CB 3.46Å; T45-A49 PolarHBondContact O-N 2.66Å; T45-V100 HydrophobicContact CG2-CG1 4.22Å |
| 46 | K | 39 | Very low | 39.8 | Very low | 131 Ų | 131 | 95 Ų | 95 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.3 | -48.2 | 173.6 | -174.2 | -175.3 | 173.4 | -168.6 | 0 | 111.5 | A42 E43 R48 A49 E50 | A42-K46 WeakPolarHBondContact O-CB 3.1Å; A42-K46 PolarHBondContact O-N 2.83Å; E43-K46 PolarHBondContact O-N 2.75Å; K46-R48 VanDerWaalsContact C-N 3.26Å; K46-R48 PolarHBondContact O-N 3.35Å; K46-A49 PolarHBondContact O-N 2.8Å; K46-E50 VanDerWaalsContact CE-OE1 3.29Å; K46-E50 WeakPolarHBondContact CE-OE1 3.19Å; K46-E50 WeakPolarHBondContact O-CG 3.33Å; K46-E50 PolarHBondContact O-N 3.41Å |
| 47 | N | 43.8 | Very low | 39.8 | Very low | 75 Ų | 75 | 92 Ų | 92 | 40% | 0.401 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -32.5 | 176.1 | -82.6 | -39.1 | 0 | 0 | 0 | 112.7 | E43 K51 | E43-N47 WeakPolarHBondContact O-CB 2.92Å; E43-N47 PolarHBondContact O-N 2.76Å; E43-N47 PolarHBondContact O-ND2 2.77Å; N47-K51 WeakPolarHBondContact O-CB 3.32Å; N47-K51 VanDerWaalsContact O-CG 3.25Å; N47-K51 WeakPolarHBondContact O-CG 3.33Å; N47-K51 PolarHBondContact O-N 3.16Å |
| 48 | R | 38.3 | Very low | 40.1 | Very low | 180 Ų | 180 | 91.9 Ų | 91.9 | 68% | 0.679 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -76.8 | -36.3 | 176.4 | -155.6 | 175.1 | -147 | 127.3 | 0.9 | 112.1 | G44 T45 K46 K51 M52 | G44-R48 WeakPolarHBondContact O-CB 2.86Å; G44-R48 PolarHBondContact O-N 2.81Å; T45-R48 PolarHBondContact O-N 2.69Å; K46-R48 VanDerWaalsContact C-N 3.26Å; K46-R48 PolarHBondContact O-N 3.35Å; R48-K51 PolarHBondContact O-N 3.26Å; R48-M52 WeakPolarHBondContact O-CB 3.02Å; R48-M52 VanDerWaalsContact O-CG 3.32Å; R48-M52 WeakPolarHBondContact O-CG 2.92Å; R48-M52 PolarHBondContact O-N 2.86Å |
| 49 | A | 37.2 | Very low | 40.2 | Very low | 51 Ų | 51 | 91 Ų | 91 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T45 K46 M52 Y53 | T45-A49 WeakPolarHBondContact O-CB 3.46Å; T45-A49 PolarHBondContact O-N 2.66Å; K46-A49 PolarHBondContact O-N 2.8Å; A49-M52 PolarHBondContact O-N 2.95Å; A49-Y53 WeakPolarHBondContact O-CB 3.13Å; A49-Y53 PolarHBondContact O-N 2.73Å |
| 50 | E | 40.5 | Very low | 40.2 | Very low | 93 Ų | 93 | 86.8 Ų | 86.8 | 44% | 0.435 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 172.6 | -77.4 | 177.8 | -175.4 | 0 | 0 | 111.1 | K46 M52 Y53 D54 | K46-E50 VanDerWaalsContact CE-OE1 3.29Å; K46-E50 WeakPolarHBondContact CE-OE1 3.19Å; K46-E50 WeakPolarHBondContact O-CG 3.33Å; K46-E50 PolarHBondContact O-N 3.41Å; E50-M52 VanDerWaalsContact C-N 3.34Å; E50-M52 PolarHBondContact O-N 2.67Å; E50-Y53 WeakPolarHBondContact O-CB 3.04Å; E50-Y53 PolarHBondContact O-N 2.77Å; E50-Y53 VanDerWaalsContact O-N 3.15Å; E50-D54 PolarHBondContact O-N 2.82Å |
| 51 | K | 43.7 | Very low | 40.2 | Very low | 151 Ų | 151 | 84.6 Ų | 84.6 | 66% | 0.657 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.2 | -34.9 | 174.6 | -74.2 | 173.1 | -175.9 | 177.9 | 0 | 113.7 | N47 R48 A55 | N47-K51 WeakPolarHBondContact O-CB 3.32Å; N47-K51 VanDerWaalsContact O-CG 3.25Å; N47-K51 WeakPolarHBondContact O-CG 3.33Å; N47-K51 PolarHBondContact O-N 3.16Å; R48-K51 PolarHBondContact O-N 3.26Å; K51-A55 VanDerWaalsContact O-CB 3.26Å; K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 2.94Å |
| 52 | M | 37.3 | Very low | 40.7 | Very low | 131 Ų | 131 | 84.2 Ų | 84.2 | 65% | 0.645 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.7 | -36.3 | 173.7 | -78.6 | 178.8 | 168.6 | 0 | 0 | 111.5 | R48 A49 E50 A56 | R48-M52 WeakPolarHBondContact O-CB 3.02Å; R48-M52 VanDerWaalsContact O-CG 3.32Å; R48-M52 WeakPolarHBondContact O-CG 2.92Å; R48-M52 PolarHBondContact O-N 2.86Å; A49-M52 PolarHBondContact O-N 2.95Å; E50-M52 VanDerWaalsContact C-N 3.34Å; E50-M52 PolarHBondContact O-N 2.67Å; M52-A56 VanDerWaalsContact O-CB 3.22Å; M52-A56 WeakPolarHBondContact O-CB 3.21Å; M52-A56 PolarHBondContact O-N 3.14Å |
| 53 | Y | 38.8 | Very low | 40.7 | Very low | 98 Ų | 98 | 87.6 Ų | 87.6 | 38% | 0.384 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.3 | -47 | 173.7 | -177.7 | -89.1 | 0 | 0 | 0 | 111.2 | A49 E50 A55 A56 A57 K90 | A49-Y53 WeakPolarHBondContact O-CB 3.13Å; A49-Y53 PolarHBondContact O-N 2.73Å; E50-Y53 WeakPolarHBondContact O-CB 3.04Å; E50-Y53 PolarHBondContact O-N 2.77Å; E50-Y53 VanDerWaalsContact O-N 3.15Å; Y53-A55 PolarHBondContact O-N 3.04Å; Y53-A56 PolarHBondContact O-N 3.23Å; Y53-A57 VanDerWaalsContact O-CB 3.28Å; Y53-A57 WeakPolarHBondContact O-CB 3.39Å; Y53-A57 PolarHBondContact O-N 2.82Å; Y53-K90 HydrophobicContact CE2-CG 4.36Å |
| 54 | D | 45.5 | Very low | 40.7 | Very low | 95 Ų | 95 | 84.2 Ų | 84.2 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.7 | -70.8 | -17.7 | 0 | 0 | 0 | 111.2 | E50 A56 A57 E58 | E50-D54 PolarHBondContact O-N 2.82Å; D54-A56 PolarHBondContact O-N 3.45Å; D54-A57 PolarHBondContact O-N 2.8Å; D54-E58 WeakPolarHBondContact O-CB 3.44Å; D54-E58 WeakPolarHBondContact O-CG 2.94Å; D54-E58 PolarHBondContact O-N 2.82Å |
| 55 | A | 42.2 | Very low | 41.1 | Very low | 61 Ų | 61 | 88 Ų | 88 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K51 Y53 G59 | K51-A55 VanDerWaalsContact O-CB 3.26Å; K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 2.94Å; Y53-A55 PolarHBondContact O-N 3.04Å; A55-G59 PolarHBondContact O-N 2.81Å |
| 56 | A | 37.8 | Very low | 41.4 | Very low | 41 Ų | 41 | 88.2 Ų | 88.2 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.8 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M52 Y53 D54 G59 A60 V89 | M52-A56 VanDerWaalsContact O-CB 3.22Å; M52-A56 WeakPolarHBondContact O-CB 3.21Å; M52-A56 PolarHBondContact O-N 3.14Å; Y53-A56 PolarHBondContact O-N 3.23Å; D54-A56 PolarHBondContact O-N 3.45Å; A56-G59 PolarHBondContact O-N 2.79Å; A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.12Å; A56-A60 PolarHBondContact O-N 3.45Å; A56-V89 HydrophobicContact CB-CG1 4.16Å |
| 57 | A | 42.3 | Very low | 41.3 | Very low | 30 Ų | 30 | 85.3 Ų | 85.3 | 25% | 0.248 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y53 D54 A60 S61 | Y53-A57 VanDerWaalsContact O-CB 3.28Å; Y53-A57 WeakPolarHBondContact O-CB 3.39Å; Y53-A57 PolarHBondContact O-N 2.82Å; D54-A57 PolarHBondContact O-N 2.8Å; A57-A60 PolarHBondContact O-N 2.68Å; A57-S61 VanDerWaalsContact O-CB 3.25Å; A57-S61 WeakPolarHBondContact O-CB 3.24Å; A57-S61 PolarHBondContact O-N 2.58Å |
| 58 | E | 45.6 | Very low | 41.2 | Very low | 134 Ų | 134 | 88.6 Ų | 88.6 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 171.7 | -79 | -172.4 | 168.2 | 0 | 0 | 111.5 | D54 A60 S61 N62 | D54-E58 WeakPolarHBondContact O-CB 3.44Å; D54-E58 WeakPolarHBondContact O-CG 2.94Å; D54-E58 PolarHBondContact O-N 2.82Å; E58-A60 PolarHBondContact O-N 2.77Å; E58-S61 PolarHBondContact O-N 2.73Å; E58-N62 WeakPolarHBondContact O-CB 3.19Å; E58-N62 PolarHBondContact O-N 2.76Å; E58-N62 PolarHBondContact O-ND2 2.59Å |
| 59 | G | 39.6 | Very low | 41.6 | Very low | 39 Ų | 39 | 87.3 Ų | 87.3 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A55 A56 M63 | A55-G59 PolarHBondContact O-N 2.81Å; A56-G59 PolarHBondContact O-N 2.79Å; G59-M63 VanDerWaalsContact O-CB 3.29Å; G59-M63 WeakPolarHBondContact O-CB 3.04Å; G59-M63 PolarHBondContact O-N 2.85Å |
| 60 | A | 38.6 | Very low | 41.7 | Very low | 34 Ų | 34 | 88 Ų | 88 | 28% | 0.281 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A56 A57 E58 M63 A64 Y86 | A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.12Å; A56-A60 PolarHBondContact O-N 3.45Å; A57-A60 PolarHBondContact O-N 2.68Å; E58-A60 PolarHBondContact O-N 2.77Å; A60-M63 PolarHBondContact O-N 2.65Å; A60-A64 VanDerWaalsContact O-CB 3.24Å; A60-A64 WeakPolarHBondContact O-CB 2.9Å; A60-A64 PolarHBondContact O-N 3.38Å; A60-Y86 HydrophobicContact CB-CD2 3.92Å; A60-Y86 HydrophobicContact CB-CE2 4.36Å |
| 61 | S | 42.4 | Very low | 41.6 | Very low | 62 Ų | 62 | 84.8 Ų | 84.8 | 43% | 0.434 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 175 | -171.1 | 0 | 0 | 0 | 0 | 111.5 | A57 E58 M63 A64 Q65 | A57-S61 VanDerWaalsContact O-CB 3.25Å; A57-S61 WeakPolarHBondContact O-CB 3.24Å; A57-S61 PolarHBondContact O-N 2.58Å; E58-S61 PolarHBondContact O-N 2.73Å; S61-M63 PolarHBondContact O-N 3.3Å; S61-A64 PolarHBondContact O-N 3.07Å; S61-Q65 WeakPolarHBondContact O-CB 3.31Å; S61-Q65 WeakPolarHBondContact O-CG 3.31Å; S61-Q65 PolarHBondContact O-N 2.66Å |
| 62 | N | 46 | Very low | 41.6 | Very low | 90 Ų | 90 | 86.6 Ų | 86.6 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 175.7 | -71.1 | -28 | 0 | 0 | 0 | 111.9 | E58 S66 | E58-N62 WeakPolarHBondContact O-CB 3.19Å; E58-N62 PolarHBondContact O-N 2.76Å; E58-N62 PolarHBondContact O-ND2 2.59Å; N62-S66 VanDerWaalsContact O-CB 3.29Å; N62-S66 WeakPolarHBondContact O-CB 3.34Å; N62-S66 PolarHBondContact O-N 2.76Å; N62-S66 PolarHBondContact O-OG 2.75Å |
| 63 | M | 39.2 | Very low | 42.1 | Very low | 118 Ų | 118 | 85.1 Ų | 85.1 | 58% | 0.581 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.7 | -42.7 | 173.9 | -174.3 | 173.9 | -71 | 0 | 0 | 111.5 | G59 A60 S61 S66 M67 | G59-M63 VanDerWaalsContact O-CB 3.29Å; G59-M63 WeakPolarHBondContact O-CB 3.04Å; G59-M63 PolarHBondContact O-N 2.85Å; A60-M63 PolarHBondContact O-N 2.65Å; S61-M63 PolarHBondContact O-N 3.3Å; M63-S66 PolarHBondContact O-N 3.42Å; M63-M67 HydrophobicContact CG-CE 4.5Å; M63-M67 HydrophobicContact CG-CG 4.45Å; M63-M67 HydrophobicContact CG-SD 4.45Å; M63-M67 VanDerWaalsContact O-CB 3.23Å; M63-M67 WeakPolarHBondContact O-CB 2.99Å; M63-M67 VanDerWaalsContact O-CG 3.29Å; M63-M67 WeakPolarHBondContact O-CG 2.93Å; M63-M67 PolarHBondContact O-N 3.48Å |
| 64 | A | 41.5 | Very low | 42 | Very low | 49 Ų | 49 | 85.6 Ų | 85.6 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A60 S61 M67 H68 | A60-A64 VanDerWaalsContact O-CB 3.24Å; A60-A64 WeakPolarHBondContact O-CB 2.9Å; A60-A64 PolarHBondContact O-N 3.38Å; S61-A64 PolarHBondContact O-N 3.07Å; A64-M67 CarbonylContact O-C 3.58Å; A64-M67 PolarHBondContact O-N 2.81Å; A64-H68 WeakPolarHBondContact O-CB 3.43Å; A64-H68 PolarHBondContact O-N 2.73Å |
| 65 | Q | 47.1 | Very low | 41.7 | Very low | 117 Ų | 117 | 83.7 Ų | 83.7 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 172.6 | -76.4 | -179.2 | -25 | 0 | 0 | 111.9 | S61 M67 H68 E69 | S61-Q65 WeakPolarHBondContact O-CB 3.31Å; S61-Q65 WeakPolarHBondContact O-CG 3.31Å; S61-Q65 PolarHBondContact O-N 2.66Å; Q65-M67 VanDerWaalsContact C-N 3.29Å; Q65-M67 PolarHBondContact O-N 3.47Å; Q65-H68 PolarHBondContact O-N 2.85Å; Q65-H68 VanDerWaalsContact O-N 3.16Å; Q65-E69 PolarHBondContact O-N 3.23Å |
| 66 | S | 42.2 | Very low | 41.7 | Very low | 72 Ų | 72 | 87.5 Ų | 87.5 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -36 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | N62 M63 A70 | N62-S66 VanDerWaalsContact O-CB 3.29Å; N62-S66 WeakPolarHBondContact O-CB 3.34Å; N62-S66 PolarHBondContact O-N 2.76Å; N62-S66 PolarHBondContact O-OG 2.75Å; M63-S66 PolarHBondContact O-N 3.42Å; S66-A70 VanDerWaalsContact O-CB 3.3Å; S66-A70 WeakPolarHBondContact O-CB 3.26Å; S66-A70 PolarHBondContact O-N 3.43Å |
| 67 | M | 37.6 | Very low | 41.6 | Very low | 70 Ų | 70 | 89.4 Ų | 89.4 | 35% | 0.345 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.4 | -27.5 | 174.7 | -76.1 | -164.3 | 167.2 | 0 | 0 | 112.9 | M63 A64 Q65 G71 L78 | M63-M67 HydrophobicContact CG-CE 4.5Å; M63-M67 HydrophobicContact CG-CG 4.45Å; M63-M67 HydrophobicContact CG-SD 4.45Å; M63-M67 VanDerWaalsContact O-CB 3.23Å; M63-M67 WeakPolarHBondContact O-CB 2.99Å; M63-M67 VanDerWaalsContact O-CG 3.29Å; M63-M67 WeakPolarHBondContact O-CG 2.93Å; M63-M67 PolarHBondContact O-N 3.48Å; A64-M67 CarbonylContact O-C 3.58Å; A64-M67 PolarHBondContact O-N 2.81Å; Q65-M67 VanDerWaalsContact C-N 3.29Å; Q65-M67 PolarHBondContact O-N 3.47Å; M67-G71 WeakPolarHBondContact O-CA 3.47Å; M67-G71 PolarHBondContact O-N 3.25Å; M67-L78 HydrophobicContact CB-CD2 4.24Å; M67-L78 HydrophobicContact CE-CD1 4.39Å; M67-L78 HydrophobicContact CE-CD2 4.35Å; M67-L78 HydrophobicContact CE-CG 4.47Å; M67-L78 HydrophobicContact CG-CD2 4.12Å; M67-L78 HydrophobicContact SD-CD1 4.44Å; M67-L78 HydrophobicContact SD-CD2 3.78Å; M67-L78 HydrophobicContact SD-CG 3.92Å |
| 68 | H | 41.4 | Very low | 41.2 | Very low | 145 Ų | 145 | 92 Ų | 92 | 67% | 0.671 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.7 | -34.7 | 171.9 | -171.5 | 41.6 | 0 | 0 | 0 | 111.2 | A64 Q65 K72 | A64-H68 WeakPolarHBondContact O-CB 3.43Å; A64-H68 PolarHBondContact O-N 2.73Å; Q65-H68 PolarHBondContact O-N 2.85Å; Q65-H68 VanDerWaalsContact O-N 3.16Å; H68-K72 PolarHBondContact O-N 2.86Å |
| 69 | E | 47.4 | Very low | 40.9 | Very low | 153 Ų | 153 | 89.4 Ų | 89.4 | 72% | 0.715 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.5 | -41.5 | 170.4 | -73.2 | -175.8 | 165.6 | 0 | 0 | 112.4 | Q65 | Q65-E69 PolarHBondContact O-N 3.23Å |
| 70 | A | 38.9 | Very low | 40.9 | Very low | 64 Ų | 64 | 94.4 Ų | 94.4 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.5 | -33.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | S66 K72 S73 | S66-A70 VanDerWaalsContact O-CB 3.3Å; S66-A70 WeakPolarHBondContact O-CB 3.26Å; S66-A70 PolarHBondContact O-N 3.43Å; A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 PolarHBondContact O-N 2.81Å; A70-S73 PolarHBondContact O-N 3.39Å; A70-S73 PolarHBondContact O-OG 2.75Å; A70-S73 VanDerWaalsContact O-OG 3.07Å |
| 71 | G | 37.5 | Very low | 40.7 | Very low | 26 Ų | 26 | 95 Ų | 95 | 27% | 0.268 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -76.8 | -5.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | M67 S73 T74 | M67-G71 WeakPolarHBondContact O-CA 3.47Å; M67-G71 PolarHBondContact O-N 3.25Å; G71-S73 PolarHBondContact O-N 2.86Å; G71-T74 PolarHBondContact O-N 2.81Å |
| 72 | K | 45.6 | Very low | 40.4 | Very low | 190 Ų | 190 | 94 Ų | 94 | 83% | 0.826 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -57.8 | -7.3 | 161.2 | -92.3 | 179.2 | 177.9 | 167.6 | 0 | 113.4 | H68 A70 | H68-K72 PolarHBondContact O-N 2.86Å; A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 PolarHBondContact O-N 2.81Å |
| 73 | S | 46.8 | Very low | 39.9 | Very low | 100 Ų | 100 | 96 Ų | 96 | 70% | 0.699 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -122.9 | -6 | 176.8 | 70.6 | 0 | 0 | 0 | 0 | 116.6 | A70 G71 | A70-S73 PolarHBondContact O-N 3.39Å; A70-S73 PolarHBondContact O-OG 2.75Å; A70-S73 VanDerWaalsContact O-OG 3.07Å; G71-S73 PolarHBondContact O-N 2.86Å |
| 74 | T | 37.4 | Very low | 39.9 | Very low | 108 Ų | 108 | 93.3 Ų | 93.3 | 66% | 0.663 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -158.6 | 121.5 | -180 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | G71 | G71-T74 PolarHBondContact O-N 2.81Š|
| 75 | G | 38.8 | Very low | 39.4 | Very low | 54 Ų | 54 | 92.8 Ų | 92.8 | 56% | 0.557 | 56% | 0.56 | S | S | * | * | trans | -93.4 | 175.8 | -160.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | A77 | G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 2.59Å | ||
| 76 | D | 41.6 | Very low | 38.9 | Very low | 141 Ų | 141 | 92 Ų | 92 | 75% | 0.754 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 39.6 | -50.2 | 165.4 | -58 | -13 | 0 | 0 | 0 | 120.2 | L78 S79 E80 | D76-L78 VanDerWaalsContact C-N 3.27Å; D76-L78 PolarHBondContact O-N 2.84Å; D76-S79 PolarHBondContact O-N 3.47Å; D76-E80 PolarHBondContact O-N 3.36Å |
| 77 | A | 37 | Very low | 38.8 | Very low | 81 Ų | 81 | 92.6 Ų | 92.6 | 67% | 0.669 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -69.5 | -22.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G75 | G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 2.59Å |
| 78 | L | 33.8 | Very low | 38.6 | Very low | 85 Ų | 85 | 92.4 Ų | 92.4 | 45% | 0.445 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -82 | -28.1 | 176.6 | -157.1 | 76.5 | 0 | 0 | 0 | 112.1 | M67 D76 G81 A82 | M67-L78 HydrophobicContact CB-CD2 4.24Å; M67-L78 HydrophobicContact CE-CD1 4.39Å; M67-L78 HydrophobicContact CE-CD2 4.35Å; M67-L78 HydrophobicContact CE-CG 4.47Å; M67-L78 HydrophobicContact CG-CD2 4.12Å; M67-L78 HydrophobicContact SD-CD1 4.44Å; M67-L78 HydrophobicContact SD-CD2 3.78Å; M67-L78 HydrophobicContact SD-CG 3.92Å; D76-L78 VanDerWaalsContact C-N 3.27Å; D76-L78 PolarHBondContact O-N 2.84Å; L78-G81 PolarHBondContact O-N 2.63Å; L78-A82 WeakPolarHBondContact O-CB 2.91Å; L78-A82 PolarHBondContact O-N 3.33Å |
| 79 | S | 38.6 | Very low | 38.2 | Very low | 79 Ų | 79 | 89.7 Ų | 89.7 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71 | -40.4 | 178.9 | -125.2 | 0 | 0 | 0 | 0 | 111.3 | D76 A82 E83 | D76-S79 PolarHBondContact O-N 3.47Å; S79-A82 PolarHBondContact O-N 3.48Å; S79-E83 PolarHBondContact O-N 3.36Å |
| 80 | E | 39.2 | Very low | 37.7 | Very low | 144 Ų | 144 | 86.9 Ų | 86.9 | 67% | 0.673 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.6 | -35.4 | 174.5 | -69.4 | -179.5 | 172.5 | 0 | 0 | 112.4 | D76 A84 | D76-E80 PolarHBondContact O-N 3.36Å; E80-A84 VanDerWaalsContact O-CB 3.3Å; E80-A84 WeakPolarHBondContact O-CB 2.92Å; E80-A84 PolarHBondContact O-N 2.77Å |
| 81 | G | 34.2 | Very low | 37.8 | Very low | 47 Ų | 47 | 88.8 Ų | 88.8 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.9 | -33.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L78 G85 | L78-G81 PolarHBondContact O-N 2.63Å; G81-G85 PolarHBondContact O-N 3.34Å |
| 82 | A | 36.8 | Very low | 37.5 | Very low | 41 Ų | 41 | 89.2 Ų | 89.2 | 34% | 0.339 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L78 S79 G85 Y86 | L78-A82 WeakPolarHBondContact O-CB 2.91Å; L78-A82 PolarHBondContact O-N 3.33Å; S79-A82 PolarHBondContact O-N 3.48Å; A82-G85 PolarHBondContact O-N 2.72Å; A82-Y86 PolarHBondContact O-N 2.69Å |
| 83 | E | 36.2 | Very low | 36.8 | Very low | 132 Ų | 132 | 82.1 Ų | 82.1 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 173.1 | -76.1 | -176.6 | 169.2 | 0 | 0 | 111.8 | S79 G85 Y86 D87 | S79-E83 PolarHBondContact O-N 3.36Å; E83-G85 VanDerWaalsContact C-N 3.32Å; E83-G85 PolarHBondContact O-N 2.67Å; E83-Y86 WeakPolarHBondContact O-CB 3.46Å; E83-Y86 PolarHBondContact O-N 2.66Å; E83-Y86 VanDerWaalsContact O-N 3.17Å; E83-D87 PolarHBondContact O-N 3.45Å |
| 84 | A | 38.3 | Very low | 36.2 | Very low | 62 Ų | 62 | 85.2 Ų | 85.2 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -35.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E80 A88 | E80-A84 VanDerWaalsContact O-CB 3.3Å; E80-A84 WeakPolarHBondContact O-CB 2.92Å; E80-A84 PolarHBondContact O-N 2.77Å; A84-A88 VanDerWaalsContact O-CB 3.32Å; A84-A88 WeakPolarHBondContact O-CB 3.33Å; A84-A88 PolarHBondContact O-N 2.73Å; A84-A88 VanDerWaalsContact O-N 3.1Å |
| 85 | G | 32 | Very low | 36 | Very low | 37 Ų | 37 | 88 Ų | 88 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G81 A82 E83 V89 | G81-G85 PolarHBondContact O-N 3.34Å; A82-G85 PolarHBondContact O-N 2.72Å; E83-G85 VanDerWaalsContact C-N 3.32Å; E83-G85 PolarHBondContact O-N 2.67Å; G85-V89 VanDerWaalsContact O-CG2 3.23Å; G85-V89 WeakPolarHBondContact O-CG2 3.36Å; G85-V89 PolarHBondContact O-N 2.73Å |
| 86 | Y | 35.1 | Very low | 35.6 | Very low | 100 Ų | 100 | 89.2 Ų | 89.2 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 176.6 | -171.8 | -92 | 0 | 0 | 0 | 111.9 | A60 A82 E83 V89 K90 | A60-Y86 HydrophobicContact CB-CD2 3.92Å; A60-Y86 HydrophobicContact CB-CE2 4.36Å; A82-Y86 PolarHBondContact O-N 2.69Å; E83-Y86 WeakPolarHBondContact O-CB 3.46Å; E83-Y86 PolarHBondContact O-N 2.66Å; E83-Y86 VanDerWaalsContact O-N 3.17Å; Y86-V89 PolarHBondContact O-N 3.4Å; Y86-K90 HydrophobicContact CE1-CD 4.38Å; Y86-K90 WeakPolarHBondContact O-CB 3.24Å; Y86-K90 PolarHBondContact O-N 2.77Å |
| 87 | D | 40.3 | Very low | 35.2 | Very low | 85 Ų | 85 | 84.3 Ų | 84.3 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 179.8 | -78.7 | -18.4 | 0 | 0 | 0 | 112.2 | E83 V89 K90 D91 | E83-D87 PolarHBondContact O-N 3.45Å; D87-V89 VanDerWaalsContact C-N 3.34Å; D87-V89 PolarHBondContact O-N 2.85Å; D87-K90 PolarHBondContact O-N 2.85Å; D87-D91 WeakPolarHBondContact O-CB 3.13Å; D87-D91 PolarHBondContact O-N 3.39Å |
| 88 | A | 33.6 | Very low | 35.1 | Very low | 67 Ų | 67 | 85.4 Ų | 85.4 | 55% | 0.554 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.7 | -36.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A84 G92 | A84-A88 VanDerWaalsContact O-CB 3.32Å; A84-A88 WeakPolarHBondContact O-CB 3.33Å; A84-A88 PolarHBondContact O-N 2.73Å; A84-A88 VanDerWaalsContact O-N 3.1Å; A88-G92 PolarHBondContact O-N 3.05Å |
| 89 | V | 32.4 | Very low | 35 | Very low | 88 Ų | 88 | 85.2 Ų | 85.2 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.4 | -39.3 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | A56 G85 Y86 D87 G93 | A56-V89 HydrophobicContact CB-CG1 4.16Å; G85-V89 VanDerWaalsContact O-CG2 3.23Å; G85-V89 WeakPolarHBondContact O-CG2 3.36Å; G85-V89 PolarHBondContact O-N 2.73Å; Y86-V89 PolarHBondContact O-N 3.4Å; D87-V89 VanDerWaalsContact C-N 3.34Å; D87-V89 PolarHBondContact O-N 2.85Å; V89-G93 PolarHBondContact O-N 3.21Å |
| 90 | K | 37.3 | Very low | 34.7 | Very low | 93 Ų | 93 | 85 Ų | 85 | 40% | 0.404 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 176.7 | -170.8 | -177.7 | -177.9 | -177.2 | 0 | 112.1 | Y53 Y86 D87 G93 R94 | Y53-K90 HydrophobicContact CE2-CG 4.36Å; Y86-K90 HydrophobicContact CE1-CD 4.38Å; Y86-K90 WeakPolarHBondContact O-CB 3.24Å; Y86-K90 PolarHBondContact O-N 2.77Å; D87-K90 PolarHBondContact O-N 2.85Å; K90-G93 PolarHBondContact O-N 3.02Å; K90-R94 WeakPolarHBondContact O-CB 3.23Å; K90-R94 PolarHBondContact O-N 3.3Å |
| 91 | D | 40.6 | Very low | 34.3 | Very low | 105 Ų | 105 | 81.2 Ų | 81.2 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.1 | -37.9 | 178.8 | -74.9 | -14 | 0 | 0 | 0 | 111.9 | D87 R94 W95 | D87-D91 WeakPolarHBondContact O-CB 3.13Å; D87-D91 PolarHBondContact O-N 3.39Å; D91-R94 PolarHBondContact O-N 2.61Å; D91-W95 WeakPolarHBondContact O-CB 3.12Å; D91-W95 PolarHBondContact O-N 3.05Å |
| 92 | G | 31.2 | Very low | 34.4 | Very low | 35 Ų | 35 | 84.7 Ų | 84.7 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | A88 W95 V96 | A88-G92 PolarHBondContact O-N 3.05Å; G92-W95 PolarHBondContact O-N 3.28Å; G92-V96 WeakPolarHBondContact O-CG2 3.43Å; G92-V96 PolarHBondContact O-N 3.42Å |
| 93 | G | 31.6 | Very low | 34 | Very low | 40 Ų | 40 | 84.4 Ų | 84.4 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V89 K90 G97 | V89-G93 PolarHBondContact O-N 3.21Å; K90-G93 PolarHBondContact O-N 3.02Å; G93-G97 PolarHBondContact O-N 2.85Å |
| 94 | R | 34 | Very low | 33.7 | Very low | 166 Ų | 166 | 80.1 Ų | 80.1 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 176.9 | -158.9 | -178.2 | -151.5 | -103 | 11.3 | 112.1 | K90 D91 G97 E98 | K90-R94 WeakPolarHBondContact O-CB 3.23Å; K90-R94 PolarHBondContact O-N 3.3Å; D91-R94 PolarHBondContact O-N 2.61Å; R94-G97 PolarHBondContact O-N 3.47Å; R94-E98 IonicContact CZ-OE1 2.75Å; R94-E98 IonicContact NH1-OE1 3.69Å; R94-E98 PolarHBondContact NH1-OE1 2.98Å; R94-E98 WeakPolarHBondContact O-CB 3.17Å; R94-E98 WeakPolarHBondContact O-CG 3.23Å; R94-E98 PolarHBondContact O-N 3.07Å |
| 95 | W | 33.4 | Very low | 33.3 | Very low | 167 Ų | 167 | 78.6 Ų | 78.6 | 63% | 0.633 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 177.4 | -175.4 | 88.2 | 0 | 0 | 0 | 112.3 | D91 G92 N99 | D91-W95 WeakPolarHBondContact O-CB 3.12Å; D91-W95 PolarHBondContact O-N 3.05Å; G92-W95 PolarHBondContact O-N 3.28Å; W95-N99 VanDerWaalsContact CE2-ND2 3.27Å; W95-N99 PolarHBondContact NE1-ND2 2.85Å; W95-N99 WeakPolarHBondContact O-CB 3.5Å; W95-N99 PolarHBondContact O-N 2.86Å; W95-N99 PolarHBondContact O-ND2 3.26Å |
| 96 | V | 31.1 | Very low | 33.4 | Very low | 79 Ų | 79 | 83.3 Ų | 83.3 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 175.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | G92 E98 N99 V100 | G92-V96 WeakPolarHBondContact O-CG2 3.43Å; G92-V96 PolarHBondContact O-N 3.42Å; V96-E98 PolarHBondContact O-N 3.4Å; V96-N99 PolarHBondContact O-N 2.92Å; V96-V100 HydrophobicContact CG1-CG2 4.22Å; V96-V100 WeakPolarHBondContact O-CB 3.14Å; V96-V100 WeakPolarHBondContact O-CG2 3.18Å; V96-V100 PolarHBondContact O-N 2.85Å |
| 97 | G | 31.6 | Very low | 33.2 | Very low | 37 Ų | 37 | 83.6 Ų | 83.6 | 38% | 0.381 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G93 R94 A101 | G93-G97 PolarHBondContact O-N 2.85Å; R94-G97 PolarHBondContact O-N 3.47Å; G97-A101 VanDerWaalsContact O-CB 3.23Å; G97-A101 WeakPolarHBondContact O-CB 3.34Å; G97-A101 PolarHBondContact O-N 2.78Å |
| 98 | E | 34.9 | Very low | 32.8 | Very low | 104 Ų | 104 | 82.2 Ų | 82.2 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 177.2 | -76.1 | 176 | -172.2 | 0 | 0 | 112.1 | R94 V96 H102 | R94-E98 IonicContact CZ-OE1 2.75Å; R94-E98 IonicContact NH1-OE1 3.69Å; R94-E98 PolarHBondContact NH1-OE1 2.98Å; R94-E98 WeakPolarHBondContact O-CB 3.17Å; R94-E98 WeakPolarHBondContact O-CG 3.23Å; R94-E98 PolarHBondContact O-N 3.07Å; V96-E98 PolarHBondContact O-N 3.4Å; E98-H102 WeakPolarHBondContact O-CB 2.89Å; E98-H102 PolarHBondContact O-N 2.76Å |
| 99 | N | 33.3 | Very low | 32.9 | Very low | 81 Ų | 81 | 84.2 Ų | 84.2 | 43% | 0.433 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.1 | -35.2 | 178.3 | -80.6 | -82.5 | 0 | 0 | 0 | 112.8 | W95 V96 G103 | W95-N99 VanDerWaalsContact CE2-ND2 3.27Å; W95-N99 PolarHBondContact NE1-ND2 2.85Å; W95-N99 WeakPolarHBondContact O-CB 3.5Å; W95-N99 PolarHBondContact O-N 2.86Å; W95-N99 PolarHBondContact O-ND2 3.26Å; V96-N99 PolarHBondContact O-N 2.92Å; N99-G103 PolarHBondContact O-N 2.8Å |
| 100 | V | 30.5 | Very low | 32.8 | Very low | 74 Ų | 74 | 81.7 Ų | 81.7 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.2 | -41.5 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | T45 V96 G103 A104 | T45-V100 HydrophobicContact CG2-CG1 4.22Å; V96-V100 HydrophobicContact CG1-CG2 4.22Å; V96-V100 WeakPolarHBondContact O-CB 3.14Å; V96-V100 WeakPolarHBondContact O-CG2 3.18Å; V96-V100 PolarHBondContact O-N 2.85Å; V100-G103 PolarHBondContact O-N 3.02Å; V100-A104 WeakPolarHBondContact O-CB 3.34Å; V100-A104 PolarHBondContact O-N 3.22Å |
| 101 | A | 32.1 | Very low | 32.5 | Very low | 66 Ų | 66 | 79.6 Ų | 79.6 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | G97 G105 | G97-A101 VanDerWaalsContact O-CB 3.23Å; G97-A101 WeakPolarHBondContact O-CB 3.34Å; G97-A101 PolarHBondContact O-N 2.78Å; A101-G105 PolarHBondContact O-N 3.39Å |
| 102 | H | 35.2 | Very low | 32.1 | Very low | 120 Ų | 120 | 81 Ų | 81 | 56% | 0.556 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.4 | -38 | 175.4 | -164 | 79.9 | 0 | 0 | 0 | 112.1 | E98 K106 | E98-H102 WeakPolarHBondContact O-CB 2.89Å; E98-H102 PolarHBondContact O-N 2.76Å; H102-K106 VanDerWaalsContact NE2-CE 3.27Å; H102-K106 WeakPolarHBondContact NE2-CE 3.36Å; H102-K106 WeakPolarHBondContact O-CG 3.37Å; H102-K106 PolarHBondContact O-N 3.05Å; H102-K106 VanDerWaalsContact O-N 3.09Å |
| 103 | G | 28.7 | Very low | 32.1 | Very low | 34 Ų | 34 | 87.6 Ų | 87.6 | 35% | 0.351 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N99 V100 K106 V107 | N99-G103 PolarHBondContact O-N 2.8Å; V100-G103 PolarHBondContact O-N 3.02Å; G103-K106 PolarHBondContact O-N 3.43Å; G103-V107 WeakPolarHBondContact O-CG2 3.17Å; G103-V107 PolarHBondContact O-N 3.11Å |
| 104 | A | 30.8 | Very low | 32.1 | Very low | 43 Ų | 43 | 90.4 Ų | 90.4 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V100 K106 V107 A108 | V100-A104 WeakPolarHBondContact O-CB 3.34Å; V100-A104 PolarHBondContact O-N 3.22Å; A104-K106 PolarHBondContact O-N 2.94Å; A104-V107 PolarHBondContact O-N 2.79Å; A104-A108 WeakPolarHBondContact O-CB 3.26Å; A104-A108 PolarHBondContact O-N 3.25Å |
| 105 | G | 30.3 | Very low | 31.9 | Very low | 30 Ų | 30 | 85.8 Ų | 85.8 | 31% | 0.309 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A101 V107 A108 D109 | A101-G105 PolarHBondContact O-N 3.39Å; G105-V107 PolarHBondContact O-N 2.72Å; G105-A108 PolarHBondContact O-N 3.43Å; G105-D109 WeakPolarHBondContact O-CB 3.08Å; G105-D109 VanDerWaalsContact O-CG 3.24Å; G105-D109 PolarHBondContact O-N 2.67Å |
| 106 | K | 33.5 | Very low | 32 | Very low | 135 Ų | 135 | 82 Ų | 82 | 59% | 0.587 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.8 | -29.8 | 176.7 | -71 | -160.2 | -176.8 | -178.8 | 0 | 114.2 | H102 G103 A104 G110 | H102-K106 VanDerWaalsContact NE2-CE 3.27Å; H102-K106 WeakPolarHBondContact NE2-CE 3.36Å; H102-K106 WeakPolarHBondContact O-CG 3.37Å; H102-K106 PolarHBondContact O-N 3.05Å; H102-K106 VanDerWaalsContact O-N 3.09Å; G103-K106 PolarHBondContact O-N 3.43Å; A104-K106 PolarHBondContact O-N 2.94Å; K106-G110 PolarHBondContact O-N 2.63Å |
| 107 | V | 30.8 | Very low | 31.9 | Very low | 106 Ų | 106 | 80.8 Ų | 80.8 | 64% | 0.642 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.8 | -39 | 173.5 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | G103 A104 G105 G110 A111 | G103-V107 WeakPolarHBondContact O-CG2 3.17Å; G103-V107 PolarHBondContact O-N 3.11Å; A104-V107 PolarHBondContact O-N 2.79Å; G105-V107 PolarHBondContact O-N 2.72Å; V107-G110 PolarHBondContact O-N 3.39Å; V107-A111 WeakPolarHBondContact O-CB 3.39Å; V107-A111 PolarHBondContact O-N 3.48Å |
| 108 | A | 31.9 | Very low | 31.9 | Very low | 56 Ų | 56 | 81.6 Ų | 81.6 | 46% | 0.463 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A104 G105 G110 A111 K112 | A104-A108 WeakPolarHBondContact O-CB 3.26Å; A104-A108 PolarHBondContact O-N 3.25Å; G105-A108 PolarHBondContact O-N 3.43Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-A111 PolarHBondContact O-N 3.11Å; A108-K112 WeakPolarHBondContact O-CB 3.47Å; A108-K112 PolarHBondContact O-N 2.81Å |
| 109 | D | 35.9 | Very low | 31.8 | Very low | 110 Ų | 110 | 78.7 Ų | 78.7 | 59% | 0.588 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.2 | -39 | 174.3 | -71.7 | -27.8 | 0 | 0 | 0 | 111.4 | G105 K112 Y113 | G105-D109 WeakPolarHBondContact O-CB 3.08Å; G105-D109 VanDerWaalsContact O-CG 3.24Å; G105-D109 PolarHBondContact O-N 2.67Å; D109-K112 PolarHBondContact O-N 2.63Å; D109-Y113 WeakPolarHBondContact O-CB 3.1Å; D109-Y113 PolarHBondContact O-N 2.8Å |
| 110 | G | 29.9 | Very low | 31.8 | Very low | 34 Ų | 34 | 80.5 Ų | 80.5 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | K106 V107 A108 Y113 V114 | K106-G110 PolarHBondContact O-N 2.63Å; V107-G110 PolarHBondContact O-N 3.39Å; A108-G110 VanDerWaalsContact C-N 3.34Å; G110-Y113 PolarHBondContact O-N 3.26Å; G110-V114 WeakPolarHBondContact O-CG2 3.42Å; G110-V114 PolarHBondContact O-N 2.8Å |
| 111 | A | 30.9 | Very low | 31.7 | Very low | 49 Ų | 49 | 78.7 Ų | 78.7 | 41% | 0.405 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V107 A108 V114 K115 | V107-A111 WeakPolarHBondContact O-CB 3.39Å; V107-A111 PolarHBondContact O-N 3.48Å; A108-A111 PolarHBondContact O-N 3.11Å; A111-V114 PolarHBondContact O-N 2.81Å; A111-K115 WeakPolarHBondContact O-CB 3.2Å; A111-K115 PolarHBondContact O-N 3.39Å |
| 112 | K | 31.8 | Very low | 31.6 | Very low | 136 Ų | 136 | 78 Ų | 78 | 59% | 0.591 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.6 | -40.1 | 174.3 | -160.5 | 175.5 | -177.5 | -179.6 | 0 | 111.8 | A108 D109 V114 K115 D116 | A108-K112 WeakPolarHBondContact O-CB 3.47Å; A108-K112 PolarHBondContact O-N 2.81Å; D109-K112 PolarHBondContact O-N 2.63Å; K112-V114 PolarHBondContact O-N 3.41Å; K112-K115 WeakPolarHBondContact O-CB 3.15Å; K112-K115 PolarHBondContact O-N 3.48Å; K112-D116 WeakPolarHBondContact O-CB 3.13Å; K112-D116 VanDerWaalsContact O-CG 3.32Å; K112-D116 PolarHBondContact O-N 2.79Å |
| 113 | Y | 32.6 | Very low | 31.5 | Very low | 172 Ų | 172 | 79.1 Ų | 79.1 | 68% | 0.675 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 174 | -165.8 | -91 | 0 | 0 | 0 | 112.6 | D109 G110 S117 | D109-Y113 WeakPolarHBondContact O-CB 3.1Å; D109-Y113 PolarHBondContact O-N 2.8Å; G110-Y113 PolarHBondContact O-N 3.26Å; Y113-S117 VanDerWaalsContact O-CB 3.22Å; Y113-S117 WeakPolarHBondContact O-CB 2.91Å; Y113-S117 PolarHBondContact O-N 3.41Å; Y113-S117 PolarHBondContact O-OG 2.98Å |
| 114 | V | 30.6 | Very low | 31.7 | Very low | 99 Ų | 99 | 82.9 Ų | 82.9 | 60% | 0.6 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.4 | -37.4 | 173.4 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | G110 A111 K112 A118 | G110-V114 WeakPolarHBondContact O-CG2 3.42Å; G110-V114 PolarHBondContact O-N 2.8Å; A111-V114 PolarHBondContact O-N 2.81Å; K112-V114 PolarHBondContact O-N 3.41Å; V114-A118 WeakPolarHBondContact O-CB 2.9Å; V114-A118 PolarHBondContact O-N 3.34Å |
| 115 | K | 30.3 | Very low | 31.7 | Very low | 69 Ų | 69 | 84 Ų | 84 | 30% | 0.3 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 172.4 | -178.2 | -177.9 | -175.4 | 165.2 | 0 | 111.2 | I31 D32 A111 K112 A119 | I31-K115 HydrophobicContact CD1-CB 4.46Å; I31-K115 HydrophobicContact CD1-CG 4.2Å; I31-K115 HydrophobicContact CG2-CB 4.31Å; I31-K115 HydrophobicContact CG2-CD 3.79Å; I31-K115 HydrophobicContact CG2-CG 4.1Å; D32-K115 IonicContact OD1-NZ 3.63Å; D32-K115 PolarHBondContact OD1-NZ 3.27Å; A111-K115 WeakPolarHBondContact O-CB 3.2Å; A111-K115 PolarHBondContact O-N 3.39Å; K112-K115 WeakPolarHBondContact O-CB 3.15Å; K112-K115 PolarHBondContact O-N 3.48Å; K115-A119 WeakPolarHBondContact O-CB 3.31Å; K115-A119 PolarHBondContact O-N 2.92Å |
| 116 | D | 34.4 | Very low | 31.7 | Very low | 87 Ų | 87 | 85.3 Ų | 85.3 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.6 | -41.2 | -178.3 | -67.1 | -20.3 | 0 | 0 | 0 | 111.2 | K112 A119 E120 | K112-D116 WeakPolarHBondContact O-CB 3.13Å; K112-D116 VanDerWaalsContact O-CG 3.32Å; K112-D116 PolarHBondContact O-N 2.79Å; D116-A119 PolarHBondContact O-N 2.89Å; D116-E120 WeakPolarHBondContact O-CB 3.23Å; D116-E120 WeakPolarHBondContact O-CG 3.17Å; D116-E120 PolarHBondContact O-N 3.48Å |
| 117 | S | 30.9 | Very low | 31.7 | Very low | 54 Ų | 54 | 84.7 Ų | 84.7 | 38% | 0.378 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.3 | -34.5 | 177 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | Y113 G121 | Y113-S117 VanDerWaalsContact O-CB 3.22Å; Y113-S117 WeakPolarHBondContact O-CB 2.91Å; Y113-S117 PolarHBondContact O-N 3.41Å; Y113-S117 PolarHBondContact O-OG 2.98Å; S117-G121 WeakPolarHBondContact O-CA 3.27Å; S117-G121 PolarHBondContact O-N 3.31Å |
| 118 | A | 30.4 | Very low | 31.7 | Very low | 55 Ų | 55 | 81.7 Ų | 81.7 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -75.7 | -32.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V114 A122 | V114-A118 WeakPolarHBondContact O-CB 2.9Å; V114-A118 PolarHBondContact O-N 3.34Å; A118-A122 WeakPolarHBondContact O-CB 3.05Å; A118-A122 PolarHBondContact O-N 2.86Å |
| 119 | A | 32.7 | Very low | 31.6 | Very low | 42 Ų | 42 | 81.8 Ų | 81.8 | 35% | 0.347 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.1 | -38.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K115 D116 K123 | K115-A119 WeakPolarHBondContact O-CB 3.31Å; K115-A119 PolarHBondContact O-N 2.92Å; D116-A119 PolarHBondContact O-N 2.89Å; A119-K123 WeakPolarHBondContact O-CB 2.91Å; A119-K123 WeakPolarHBondContact O-CD 3.07Å; A119-K123 WeakPolarHBondContact O-CG 2.95Å; A119-K123 PolarHBondContact O-N 2.67Å |
| 120 | E | 33.1 | Very low | 31.4 | Very low | 119 Ų | 119 | 81 Ų | 81 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.6 | -44.9 | 170.8 | -78.1 | -174.4 | 163.5 | 0 | 0 | 111.2 | D116 A122 K123 D124 | D116-E120 WeakPolarHBondContact O-CB 3.23Å; D116-E120 WeakPolarHBondContact O-CG 3.17Å; D116-E120 PolarHBondContact O-N 3.48Å; E120-A122 PolarHBondContact O-N 2.86Å; E120-K123 CarbonylContact O-C 3.59Å; E120-K123 WeakPolarHBondContact O-CB 3.13Å; E120-K123 PolarHBondContact O-N 2.82Å; E120-K123 VanDerWaalsContact O-N 3.14Å; E120-D124 WeakPolarHBondContact O-CB 3.21Å; E120-D124 PolarHBondContact O-N 2.89Å |
| 121 | G | 29.7 | Very low | 31.6 | Very low | 37 Ų | 37 | 84 Ų | 84 | 38% | 0.381 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -35 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | S117 A125 | S117-G121 WeakPolarHBondContact O-CA 3.27Å; S117-G121 PolarHBondContact O-N 3.31Å; G121-A125 WeakPolarHBondContact O-CB 3.34Å; G121-A125 PolarHBondContact O-N 2.94Å |
| 122 | A | 30.3 | Very low | 31.5 | Very low | 52 Ų | 52 | 82.9 Ų | 82.9 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.5 | -37.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | A118 E120 V126 | A118-A122 WeakPolarHBondContact O-CB 3.05Å; A118-A122 PolarHBondContact O-N 2.86Å; E120-A122 PolarHBondContact O-N 2.86Å; A122-V126 VanDerWaalsContact O-CB 3.29Å; A122-V126 WeakPolarHBondContact O-CB 3.07Å; A122-V126 WeakPolarHBondContact O-CG2 3.18Å; A122-V126 PolarHBondContact O-N 2.91Å |
| 123 | K | 31.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 82.1 Ų | 82.1 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.1 | -40.2 | 173.3 | -76.9 | 170.3 | -174.7 | 175.6 | 0 | 111.7 | A119 E120 V126 H127 | A119-K123 WeakPolarHBondContact O-CB 2.91Å; A119-K123 WeakPolarHBondContact O-CD 3.07Å; A119-K123 WeakPolarHBondContact O-CG 2.95Å; A119-K123 PolarHBondContact O-N 2.67Å; E120-K123 CarbonylContact O-C 3.59Å; E120-K123 WeakPolarHBondContact O-CB 3.13Å; E120-K123 PolarHBondContact O-N 2.82Å; E120-K123 VanDerWaalsContact O-N 3.14Å; K123-V126 PolarHBondContact O-N 2.84Å; K123-H127 VanDerWaalsContact O-CB 3.3Å; K123-H127 WeakPolarHBondContact O-CB 3.19Å; K123-H127 PolarHBondContact O-N 3.38Å |
| 124 | D | 33.9 | Very low | 31.2 | Very low | 114 Ų | 114 | 80.4 Ų | 80.4 | 61% | 0.61 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -74 | -36.7 | 179.1 | -72.2 | -15.6 | 0 | 0 | 0 | 112.2 | E120 V126 H127 G128 | E120-D124 WeakPolarHBondContact O-CB 3.21Å; E120-D124 PolarHBondContact O-N 2.89Å; D124-V126 VanDerWaalsContact C-N 3.33Å; D124-H127 PolarHBondContact O-N 3.37Å; D124-G128 PolarHBondContact O-N 3.33Å |
| 125 | A | 30.9 | Very low | 31.3 | Very low | 66 Ų | 66 | 80.5 Ų | 80.5 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G121 A129 | G121-A125 WeakPolarHBondContact O-CB 3.34Å; G121-A125 PolarHBondContact O-N 2.94Å; A125-A129 WeakPolarHBondContact O-CB 3.4Å; A125-A129 PolarHBondContact O-N 3.49Å |
| 126 | V | 30.3 | Very low | 31.3 | Very low | 58 Ų | 58 | 81.5 Ų | 81.5 | 35% | 0.352 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.6 | -41.3 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A122 K123 D124 A129 H130 | A122-V126 VanDerWaalsContact O-CB 3.29Å; A122-V126 WeakPolarHBondContact O-CB 3.07Å; A122-V126 WeakPolarHBondContact O-CG2 3.18Å; A122-V126 PolarHBondContact O-N 2.91Å; K123-V126 PolarHBondContact O-N 2.84Å; D124-V126 VanDerWaalsContact C-N 3.33Å; V126-A129 PolarHBondContact O-N 3.18Å; V126-H130 VanDerWaalsContact O-CB 3.24Å; V126-H130 WeakPolarHBondContact O-CB 3.14Å; V126-H130 PolarHBondContact O-N 2.9Å |
| 127 | H | 32.7 | Very low | 31.2 | Very low | 122 Ų | 122 | 79.3 Ų | 79.3 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.3 | -41.3 | 176.7 | -139 | 97.9 | 0 | 0 | 0 | 111.2 | K123 D124 H130 E131 | K123-H127 VanDerWaalsContact O-CB 3.3Å; K123-H127 WeakPolarHBondContact O-CB 3.19Å; K123-H127 PolarHBondContact O-N 3.38Å; D124-H127 PolarHBondContact O-N 3.37Å; H127-H130 PolarHBondContact O-N 3.42Å; H127-E131 WeakPolarHBondContact O-CB 3.44Å; H127-E131 PolarHBondContact O-N 2.91Å |
| 128 | G | 31.1 | Very low | 31.3 | Very low | 43 Ų | 43 | 81.3 Ų | 81.3 | 44% | 0.443 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D124 G132 | D124-G128 PolarHBondContact O-N 3.33Å; G128-G132 WeakPolarHBondContact O-CA 3.28Å; G128-G132 PolarHBondContact O-N 3.46Å |
| 129 | A | 30.7 | Very low | 31.3 | Very low | 58 Ų | 58 | 84 Ų | 84 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A125 V126 M133 | A125-A129 WeakPolarHBondContact O-CB 3.4Å; A125-A129 PolarHBondContact O-N 3.49Å; V126-A129 PolarHBondContact O-N 3.18Å; A129-M133 VanDerWaalsContact O-CB 3.28Å; A129-M133 WeakPolarHBondContact O-CB 3.31Å; A129-M133 PolarHBondContact O-N 3.35Å |
| 130 | H | 30.9 | Very low | 31.2 | Very low | 93 Ų | 93 | 86.6 Ų | 86.6 | 43% | 0.431 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.5 | -40.3 | 179.6 | -149 | -73.9 | 0 | 0 | 0 | 112.3 | V126 H127 R134 | V126-H130 VanDerWaalsContact O-CB 3.24Å; V126-H130 WeakPolarHBondContact O-CB 3.14Å; V126-H130 PolarHBondContact O-N 2.9Å; H127-H130 PolarHBondContact O-N 3.42Å; H130-R134 VanDerWaalsContact O-CB 3.26Å; H130-R134 WeakPolarHBondContact O-CB 3.11Å; H130-R134 PolarHBondContact O-N 2.9Å |
| 131 | E | 33.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 83.2 Ų | 83.2 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.4 | -37 | 171.8 | -77.3 | -166.5 | 146.9 | 0 | 0 | 111.9 | H127 R134 M135 | H127-E131 WeakPolarHBondContact O-CB 3.44Å; H127-E131 PolarHBondContact O-N 2.91Å; E131-R134 PolarHBondContact O-N 2.79Å; E131-M135 WeakPolarHBondContact O-CB 3.42Å; E131-M135 WeakPolarHBondContact O-CG 2.93Å; E131-M135 PolarHBondContact O-N 2.77Å |
| 132 | G | 28.9 | Very low | 31.2 | Very low | 25 Ų | 25 | 86.7 Ų | 86.7 | 26% | 0.258 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G128 M135 V136 | G128-G132 WeakPolarHBondContact O-CA 3.28Å; G128-G132 PolarHBondContact O-N 3.46Å; G132-M135 PolarHBondContact O-N 3.14Å; G132-V136 WeakPolarHBondContact O-CB 2.94Å; G132-V136 VanDerWaalsContact O-CG2 3.24Å; G132-V136 WeakPolarHBondContact O-CG2 3.21Å; G132-V136 PolarHBondContact O-N 3.4Å |
| 133 | M | 27.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 85.8 Ų | 85.8 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.7 | -38.2 | 174.9 | -136.5 | 85.9 | 179.8 | 0 | 0 | 111.4 | V12 A129 G137 | V12-M133 HydrophobicContact CG1-CE 4.23Å; A129-M133 VanDerWaalsContact O-CB 3.28Å; A129-M133 WeakPolarHBondContact O-CB 3.31Å; A129-M133 PolarHBondContact O-N 3.35Å; M133-G137 WeakPolarHBondContact O-CA 2.97Å; M133-G137 PolarHBondContact O-N 2.74Å |
| 134 | R | 31.2 | Very low | 31 | Very low | 137 Ų | 137 | 81.5 Ų | 81.5 | 52% | 0.517 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 175.7 | -168.6 | 177.4 | 75.9 | 94.6 | -4 | 111 | H130 E131 E138 | H130-R134 VanDerWaalsContact O-CB 3.26Å; H130-R134 WeakPolarHBondContact O-CB 3.11Å; H130-R134 PolarHBondContact O-N 2.9Å; E131-R134 PolarHBondContact O-N 2.79Å; R134-E138 HydrophobicContact CG-CG 4.33Å; R134-E138 WeakPolarHBondContact CG-OE1 3.34Å; R134-E138 IonicContact CZ-OE1 3.07Å; R134-E138 IonicContact NE-OE1 2.74Å; R134-E138 IonicContact NH1-OE1 3.6Å; R134-E138 PolarHBondContact NH1-OE1 2.99Å; R134-E138 IonicContact NH1-OE2 4Å; R134-E138 PolarHBondContact NH1-OE2 2.79Å; R134-E138 WeakPolarHBondContact O-CB 3.41Å; R134-E138 WeakPolarHBondContact O-CG 3.13Å; R134-E138 PolarHBondContact O-N 2.88Å |
| 135 | M | 32.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 77.4 Ų | 77.4 | 50% | 0.498 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | 175.9 | -75.8 | -169.8 | -75.3 | 0 | 0 | 112.7 | E131 G132 N139 | E131-M135 WeakPolarHBondContact O-CB 3.42Å; E131-M135 WeakPolarHBondContact O-CG 2.93Å; E131-M135 PolarHBondContact O-N 2.77Å; G132-M135 PolarHBondContact O-N 3.14Å; M135-N139 WeakPolarHBondContact O-CB 3.43Å; M135-N139 PolarHBondContact O-N 3.35Å; M135-N139 PolarHBondContact O-ND2 3.47Å |
| 136 | V | 31.5 | Very low | 30.8 | Very low | 90 Ų | 90 | 80.6 Ų | 80.6 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.7 | -43.3 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | G132 N139 V140 | G132-V136 WeakPolarHBondContact O-CB 2.94Å; G132-V136 VanDerWaalsContact O-CG2 3.24Å; G132-V136 WeakPolarHBondContact O-CG2 3.21Å; G132-V136 PolarHBondContact O-N 3.4Å; V136-N139 PolarHBondContact O-N 3.14Å; V136-V140 HydrophobicContact CG1-CG2 4.21Å; V136-V140 WeakPolarHBondContact O-CB 3.33Å; V136-V140 WeakPolarHBondContact O-CG2 3.25Å; V136-V140 PolarHBondContact O-N 2.98Å |
| 137 | G | 30.7 | Very low | 30.7 | Very low | 40 Ų | 40 | 82 Ų | 82 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M133 A141 | M133-G137 WeakPolarHBondContact O-CA 2.97Å; M133-G137 PolarHBondContact O-N 2.74Å; G137-A141 WeakPolarHBondContact O-CB 3.24Å; G137-A141 PolarHBondContact O-N 3.01Å |
| 138 | E | 33.2 | Very low | 30.6 | Very low | 96 Ų | 96 | 78.3 Ų | 78.3 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 175.2 | -77 | 174.8 | -176.3 | 0 | 0 | 111.5 | R134 H142 | R134-E138 HydrophobicContact CG-CG 4.33Å; R134-E138 WeakPolarHBondContact CG-OE1 3.34Å; R134-E138 IonicContact CZ-OE1 3.07Å; R134-E138 IonicContact NE-OE1 2.74Å; R134-E138 IonicContact NH1-OE1 3.6Å; R134-E138 PolarHBondContact NH1-OE1 2.99Å; R134-E138 IonicContact NH1-OE2 4Å; R134-E138 PolarHBondContact NH1-OE2 2.79Å; R134-E138 WeakPolarHBondContact O-CB 3.41Å; R134-E138 WeakPolarHBondContact O-CG 3.13Å; R134-E138 PolarHBondContact O-N 2.88Å; E138-H142 WeakPolarHBondContact O-CB 3.15Å; E138-H142 PolarHBondContact O-N 3.4Å |
| 139 | N | 31.2 | Very low | 30.8 | Very low | 112 Ų | 112 | 81.2 Ų | 81.2 | 60% | 0.599 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -72.3 | -34.6 | 177.3 | -74.7 | -45.7 | 0 | 0 | 0 | 112.9 | M135 V136 G143 | M135-N139 WeakPolarHBondContact O-CB 3.43Å; M135-N139 PolarHBondContact O-N 3.35Å; M135-N139 PolarHBondContact O-ND2 3.47Å; V136-N139 PolarHBondContact O-N 3.14Å; N139-G143 WeakPolarHBondContact O-CA 3.29Å; N139-G143 PolarHBondContact O-N 3.42Å |
| 140 | V | 30 | Very low | 30.6 | Very low | 96 Ų | 96 | 80.3 Ų | 80.3 | 58% | 0.582 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.7 | -40.5 | 173.5 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | V136 A144 | V136-V140 HydrophobicContact CG1-CG2 4.21Å; V136-V140 WeakPolarHBondContact O-CB 3.33Å; V136-V140 WeakPolarHBondContact O-CG2 3.25Å; V136-V140 PolarHBondContact O-N 2.98Å; V140-A144 WeakPolarHBondContact O-CB 3.41Å; V140-A144 PolarHBondContact O-N 3.22Å |
| 141 | A | 31.2 | Very low | 30.3 | Very low | 49 Ų | 49 | 78.2 Ų | 78.2 | 41% | 0.405 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.1 | -37.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G137 G145 | G137-A141 WeakPolarHBondContact O-CB 3.24Å; G137-A141 PolarHBondContact O-N 3.01Å; A141-G145 PolarHBondContact O-N 3.37Å |
| 142 | H | 32.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 80.8 Ų | 80.8 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 176 | -164 | 67.8 | 0 | 0 | 0 | 111.9 | E138 K146 | E138-H142 WeakPolarHBondContact O-CB 3.15Å; E138-H142 PolarHBondContact O-N 3.4Å; H142-K146 WeakPolarHBondContact NE2-CE 3.39Å; H142-K146 PolarHBondContact NE2-NZ 2.64Å; H142-K146 WeakPolarHBondContact O-CG 3.02Å; H142-K146 PolarHBondContact O-N 3.48Å |
| 143 | G | 27.3 | Very low | 30.3 | Very low | 33 Ų | 33 | 83.3 Ų | 83.3 | 34% | 0.34 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -47.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N139 G145 K146 V147 | N139-G143 WeakPolarHBondContact O-CA 3.29Å; N139-G143 PolarHBondContact O-N 3.42Å; G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 3.23Å; G143-K146 PolarHBondContact O-N 2.74Å; G143-V147 WeakPolarHBondContact O-CB 3.31Å; G143-V147 VanDerWaalsContact O-CG2 3.24Å; G143-V147 WeakPolarHBondContact O-CG2 3.14Å; G143-V147 PolarHBondContact O-N 2.79Å |
| 144 | A | 29.2 | Very low | 30.2 | Very low | 52 Ų | 52 | 81.2 Ų | 81.2 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | V140 A148 | V140-A144 WeakPolarHBondContact O-CB 3.41Å; V140-A144 PolarHBondContact O-N 3.22Å; A144-A148 WeakPolarHBondContact O-CB 3.1Å; A144-A148 PolarHBondContact O-N 2.64Å |
| 145 | G | 29.7 | Very low | 29.9 | Very low | 27 Ų | 27 | 76.1 Ų | 76.1 | 28% | 0.278 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A141 G143 A148 D149 | A141-G145 PolarHBondContact O-N 3.37Å; G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 3.23Å; G145-A148 PolarHBondContact O-N 3.02Å; G145-D149 VanDerWaalsContact O-CB 3.32Å; G145-D149 WeakPolarHBondContact O-CB 3.48Å; G145-D149 PolarHBondContact O-N 2.67Å |
| 146 | K | 31.1 | Very low | 29.8 | Very low | 134 Ų | 134 | 77.9 Ų | 77.9 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.7 | -31.2 | 178.7 | -72.1 | -170 | -179 | 170.9 | 0 | 113.8 | H142 G143 G150 | H142-K146 WeakPolarHBondContact NE2-CE 3.39Å; H142-K146 PolarHBondContact NE2-NZ 2.64Å; H142-K146 WeakPolarHBondContact O-CG 3.02Å; H142-K146 PolarHBondContact O-N 3.48Å; G143-K146 PolarHBondContact O-N 2.74Å; K146-G150 PolarHBondContact O-N 2.65Å |
| 147 | V | 28.1 | Very low | 29.7 | Very low | 87 Ų | 87 | 84.2 Ų | 84.2 | 53% | 0.527 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.3 | -36.3 | 172.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | G143 G150 A151 | G143-V147 WeakPolarHBondContact O-CB 3.31Å; G143-V147 VanDerWaalsContact O-CG2 3.24Å; G143-V147 WeakPolarHBondContact O-CG2 3.14Å; G143-V147 PolarHBondContact O-N 2.79Å; V147-G150 PolarHBondContact O-N 3.34Å; V147-A151 WeakPolarHBondContact O-CB 3.39Å; V147-A151 PolarHBondContact O-N 2.78Å |
| 148 | A | 31.1 | Very low | 29.4 | Very low | 45 Ų | 45 | 85.8 Ų | 85.8 | 37% | 0.372 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.6 | -37 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A144 G145 A151 K152 | A144-A148 WeakPolarHBondContact O-CB 3.1Å; A144-A148 PolarHBondContact O-N 2.64Å; G145-A148 PolarHBondContact O-N 3.02Å; A148-A151 PolarHBondContact O-N 3.46Å; A148-K152 VanDerWaalsContact O-CB 3.31Å; A148-K152 WeakPolarHBondContact O-CB 3.44Å; A148-K152 VanDerWaalsContact O-CG 3.31Å; A148-K152 WeakPolarHBondContact O-CG 3.49Å; A148-K152 PolarHBondContact O-N 2.65Å |
| 149 | D | 34.8 | Very low | 29.1 | Very low | 103 Ų | 103 | 86.7 Ų | 86.7 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.3 | -36 | 173.5 | -69.2 | -25.6 | 0 | 0 | 0 | 111 | G145 K152 A153 | G145-D149 VanDerWaalsContact O-CB 3.32Å; G145-D149 WeakPolarHBondContact O-CB 3.48Å; G145-D149 PolarHBondContact O-N 2.67Å; D149-K152 PolarHBondContact O-N 3.4Å; D149-A153 VanDerWaalsContact O-CB 3.28Å; D149-A153 WeakPolarHBondContact O-CB 3.2Å; D149-A153 PolarHBondContact O-N 2.81Å |
| 150 | G | 26.3 | Very low | 29.2 | Very low | 39 Ų | 39 | 87.2 Ų | 87.2 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K146 V147 A153 A154 | K146-G150 PolarHBondContact O-N 2.65Å; V147-G150 PolarHBondContact O-N 3.34Å; G150-A153 PolarHBondContact O-N 3.45Å; G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.24Å; G150-A154 PolarHBondContact O-N 2.91Å |
| 151 | A | 26.2 | Very low | 29.2 | Very low | 49 Ų | 49 | 87.3 Ų | 87.3 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.7 | -29.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V147 A148 G155 | V147-A151 WeakPolarHBondContact O-CB 3.39Å; V147-A151 PolarHBondContact O-N 2.78Å; A148-A151 PolarHBondContact O-N 3.46Å; A151-G155 WeakPolarHBondContact O-CA 3.12Å; A151-G155 PolarHBondContact O-N 2.89Å |
| 152 | K | 30.2 | Very low | 29 | Very low | 152 Ų | 152 | 87.9 Ų | 87.9 | 66% | 0.661 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.3 | -37 | 167.9 | -81.9 | 176.6 | 178.5 | 177.1 | 0 | 112.1 | A148 D149 | A148-K152 VanDerWaalsContact O-CB 3.31Å; A148-K152 WeakPolarHBondContact O-CB 3.44Å; A148-K152 VanDerWaalsContact O-CG 3.31Å; A148-K152 WeakPolarHBondContact O-CG 3.49Å; A148-K152 PolarHBondContact O-N 2.65Å; D149-K152 PolarHBondContact O-N 3.4Å |
| 153 | A | 31.4 | Very low | 28.9 | Very low | 78 Ų | 78 | 87.7 Ų | 87.7 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.6 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D149 G150 | D149-A153 VanDerWaalsContact O-CB 3.28Å; D149-A153 WeakPolarHBondContact O-CB 3.2Å; D149-A153 PolarHBondContact O-N 2.81Å; G150-A153 PolarHBondContact O-N 3.45Å |
| 154 | A | 24.7 | Very low | 29.1 | Very low | 75 Ų | 75 | 90.7 Ų | 90.7 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -85.3 | -27.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G150 N156 | G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.24Å; G150-A154 PolarHBondContact O-N 2.91Å; A154-N156 VanDerWaalsContact C-N 3.28Å; A154-N156 PolarHBondContact O-N 2.91Å |
| 155 | G | 24.3 | Very low | 29.1 | Very low | 30 Ų | 30 | 90.4 Ų | 90.4 | 31% | 0.309 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | 2.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A151 Y157 | A151-G155 WeakPolarHBondContact O-CA 3.12Å; A151-G155 PolarHBondContact O-N 2.89Å; G155-Y157 PolarHBondContact O-N 3.46Å |
| 156 | N | 30.8 | Very low | 29.2 | Very low | 138 Ų | 138 | 90.6 Ų | 90.6 | 74% | 0.738 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 2.5 | 166.8 | -81.5 | -23 | 0 | 0 | 0 | 113 | A154 | A154-N156 VanDerWaalsContact C-N 3.28Å; A154-N156 PolarHBondContact O-N 2.91Å |
| 157 | Y | 29.4 | Very low | 29.3 | Very low | 224 Ų | 224 | 90.5 Ų | 90.5 | 88% | 0.878 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -139 | 1.5 | 176.8 | -98.7 | -77.6 | 0 | 0 | 0 | 118.6 | G155 | G155-Y157 PolarHBondContact O-N 3.46Š|
| 158 | A | 24.4 | Very low | 29.5 | Very low | 72 Ų | 72 | 89.4 Ų | 89.4 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | trans | -158.6 | 112.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 159 | V | 27.2 | Very low | 29.4 | Very low | 116 Ų | 116 | 92.6 Ų | 92.6 | 70% | 0.703 | 57% | 0.568 | S | S | * | * | trans | -110.8 | 107.3 | 176.8 | 174.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 160 | D | 33.7 | Very low | 29.4 | Very low | 122 Ų | 122 | 91.6 Ų | 91.6 | 65% | 0.652 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 173.1 | -40.1 | 148.6 | -88.5 | -16.8 | 0 | 0 | 0 | 109.9 | A162 N163 | D160-A162 VanDerWaalsContact C-N 3.27Å; D160-A162 PolarHBondContact O-N 2.99Å; D160-N163 PolarHBondContact O-N 3.4Å |
| 161 | S | 29.9 | Very low | 29.9 | Very low | 98 Ų | 98 | 94.2 Ų | 94.2 | 69% | 0.685 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.9 | -20.8 | 178.3 | -51.5 | 0 | 0 | 0 | 0 | 114.8 | A165 | S161-A165 PolarHBondContact O-N 3.43Å |
| 162 | A | 26.4 | Very low | 30.2 | Very low | 61 Ų | 61 | 93.3 Ų | 93.3 | 50% | 0.504 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74.1 | -27.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | D160 G166 | D160-A162 VanDerWaalsContact C-N 3.27Å; D160-A162 PolarHBondContact O-N 2.99Å; A162-G166 PolarHBondContact O-N 2.67Å |
| 163 | N | 30.8 | Very low | 30.3 | Very low | 106 Ų | 106 | 89.2 Ų | 89.2 | 57% | 0.567 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.5 | -40.3 | 179.7 | -75.1 | -27.9 | 0 | 0 | 0 | 111.2 | D160 G166 E167 | D160-N163 PolarHBondContact O-N 3.4Å; N163-G166 PolarHBondContact O-N 3.43Å; N163-E167 WeakPolarHBondContact O-CG 3.22Å; N163-E167 PolarHBondContact O-N 3.46Å |
| 164 | T | 31.9 | Very low | 30.4 | Very low | 97 Ų | 97 | 91.5 Ų | 91.5 | 60% | 0.595 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.4 | -37.6 | 179 | -32.5 | 0 | 0 | 0 | 0 | 112.4 | A168 | T164-A168 WeakPolarHBondContact O-CB 3.47Å; T164-A168 PolarHBondContact O-N 2.84Å |
| 165 | A | 29.7 | Very low | 30.9 | Very low | 46 Ų | 46 | 91.7 Ų | 91.7 | 38% | 0.38 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S161 I169 | S161-A165 PolarHBondContact O-N 3.43Å; A165-I169 WeakPolarHBondContact O-CB 3.26Å; A165-I169 VanDerWaalsContact O-CD1 3.31Å; A165-I169 WeakPolarHBondContact O-CD1 3.27Å; A165-I169 WeakPolarHBondContact O-CG1 3.33Å; A165-I169 PolarHBondContact O-N 2.85Å |
| 166 | G | 30.4 | Very low | 31.3 | Very low | 31 Ų | 31 | 93.7 Ų | 93.7 | 32% | 0.32 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.4 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A162 N163 I169 V170 | A162-G166 PolarHBondContact O-N 2.67Å; N163-G166 PolarHBondContact O-N 3.43Å; G166-I169 PolarHBondContact O-N 2.68Å; G166-V170 WeakPolarHBondContact O-CB 3.46Å; G166-V170 VanDerWaalsContact O-CG2 3.22Å; G166-V170 WeakPolarHBondContact O-CG2 3.44Å; G166-V170 PolarHBondContact O-N 3.49Å |
| 167 | E | 33.1 | Very low | 31.4 | Very low | 132 Ų | 132 | 88.9 Ų | 88.9 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 175.9 | -76.1 | 177.5 | 171.9 | 0 | 0 | 112.2 | N163 I169 V170 D171 | N163-E167 WeakPolarHBondContact O-CG 3.22Å; N163-E167 PolarHBondContact O-N 3.46Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 2.88Å; E167-V170 PolarHBondContact O-N 2.85Å; E167-D171 PolarHBondContact O-N 3.45Å |
| 168 | A | 32.3 | Very low | 31.7 | Very low | 64 Ų | 64 | 84.1 Ų | 84.1 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | T164 G172 | T164-A168 WeakPolarHBondContact O-CB 3.47Å; T164-A168 PolarHBondContact O-N 2.84Å; A168-G172 PolarHBondContact O-N 2.83Å |
| 169 | I | 30.6 | Very low | 32.2 | Very low | 112 Ų | 112 | 83.8 Ų | 83.8 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.7 | -38.6 | 174.6 | -69.1 | 165.1 | 0 | 0 | 0 | 111 | A165 G166 E167 G172 A173 | A165-I169 WeakPolarHBondContact O-CB 3.26Å; A165-I169 VanDerWaalsContact O-CD1 3.31Å; A165-I169 WeakPolarHBondContact O-CD1 3.27Å; A165-I169 WeakPolarHBondContact O-CG1 3.33Å; A165-I169 PolarHBondContact O-N 2.85Å; G166-I169 PolarHBondContact O-N 2.68Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 2.88Å; I169-G172 PolarHBondContact O-N 2.81Å; I169-A173 WeakPolarHBondContact O-CB 3.43Å; I169-A173 PolarHBondContact O-N 3.24Å |
| 170 | V | 33.4 | Very low | 32.5 | Very low | 82 Ų | 82 | 80.4 Ų | 80.4 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 177.1 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | G166 E167 A173 K174 | G166-V170 WeakPolarHBondContact O-CB 3.46Å; G166-V170 VanDerWaalsContact O-CG2 3.22Å; G166-V170 WeakPolarHBondContact O-CG2 3.44Å; G166-V170 PolarHBondContact O-N 3.49Å; E167-V170 PolarHBondContact O-N 2.85Å; V170-A173 PolarHBondContact O-N 2.91Å; V170-K174 PolarHBondContact O-N 3.47Å |
| 171 | D | 37.8 | Very low | 32.5 | Very low | 93 Ų | 93 | 78.2 Ų | 78.2 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 175.2 | -82.4 | -9.2 | 0 | 0 | 0 | 111.6 | E167 K174 T175 | E167-D171 PolarHBondContact O-N 3.45Å; D171-K174 PolarHBondContact O-N 2.81Å; D171-T175 WeakPolarHBondContact O-CB 3.2Å; D171-T175 PolarHBondContact O-N 2.94Å; D171-T175 PolarHBondContact O-OG1 3.06Å |
| 172 | G | 32.3 | Very low | 32.8 | Very low | 31 Ų | 31 | 77.9 Ų | 77.9 | 32% | 0.32 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A168 I169 T175 V176 | A168-G172 PolarHBondContact O-N 2.83Å; I169-G172 PolarHBondContact O-N 2.81Å; G172-T175 PolarHBondContact O-N 2.73Å; G172-V176 VanDerWaalsContact O-CG2 3.3Å; G172-V176 WeakPolarHBondContact O-CG2 3.28Å; G172-V176 PolarHBondContact O-N 2.96Å |
| 173 | A | 32 | Very low | 33.1 | Very low | 65 Ų | 65 | 75.8 Ų | 75.8 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I169 V170 V176 G177 | I169-A173 WeakPolarHBondContact O-CB 3.43Å; I169-A173 PolarHBondContact O-N 3.24Å; V170-A173 PolarHBondContact O-N 2.91Å; A173-V176 PolarHBondContact O-N 2.93Å; A173-G177 PolarHBondContact O-N 2.85Å |
| 174 | K | 34.1 | Very low | 33.1 | Very low | 127 Ų | 127 | 76.9 Ų | 76.9 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 171.5 | -88.5 | -179.3 | 178.8 | 171.2 | 0 | 112.1 | V170 D171 V176 G177 Q178 | V170-K174 PolarHBondContact O-N 3.47Å; D171-K174 PolarHBondContact O-N 2.81Å; K174-V176 VanDerWaalsContact C-N 3.33Å; K174-V176 PolarHBondContact O-N 3.1Å; K174-G177 PolarHBondContact O-N 3.42Å; K174-Q178 WeakPolarHBondContact O-CB 3.21Å; K174-Q178 WeakPolarHBondContact O-CG 3.17Å; K174-Q178 PolarHBondContact O-N 2.93Å |
| 175 | T | 34.6 | Very low | 33.2 | Very low | 79 Ų | 79 | 79.4 Ų | 79.4 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | -179.5 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | D171 G172 T179 | D171-T175 WeakPolarHBondContact O-CB 3.2Å; D171-T175 PolarHBondContact O-N 2.94Å; D171-T175 PolarHBondContact O-OG1 3.06Å; G172-T175 PolarHBondContact O-N 2.73Å; T175-T179 VanDerWaalsContact O-CB 3.22Å; T175-T179 WeakPolarHBondContact O-CB 3.33Å; T175-T179 PolarHBondContact O-N 2.86Å; T175-T179 PolarHBondContact O-OG1 3.01Å |
| 176 | V | 33.1 | Very low | 33.3 | Very low | 72 Ų | 72 | 81.9 Ų | 81.9 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 172.6 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | G172 A173 K174 T179 A180 A238 | G172-V176 VanDerWaalsContact O-CG2 3.3Å; G172-V176 WeakPolarHBondContact O-CG2 3.28Å; G172-V176 PolarHBondContact O-N 2.96Å; A173-V176 PolarHBondContact O-N 2.93Å; K174-V176 VanDerWaalsContact C-N 3.33Å; K174-V176 PolarHBondContact O-N 3.1Å; V176-T179 PolarHBondContact O-N 2.92Å; V176-A180 WeakPolarHBondContact O-CB 3.06Å; V176-A180 PolarHBondContact O-N 2.88Å; V176-A238 HydrophobicContact CG2-CB 3.65Å |
| 177 | G | 32.3 | Very low | 33.4 | Very low | 37 Ų | 37 | 84.3 Ų | 84.3 | 38% | 0.381 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A173 K174 S181 | A173-G177 PolarHBondContact O-N 2.85Å; K174-G177 PolarHBondContact O-N 3.42Å; G177-S181 VanDerWaalsContact O-CB 3.3Å; G177-S181 WeakPolarHBondContact O-CB 2.94Å; G177-S181 PolarHBondContact O-N 2.98Å; G177-S181 PolarHBondContact O-OG 3.26Å |
| 178 | Q | 35.6 | Very low | 33.3 | Very low | 123 Ų | 123 | 80 Ų | 80 | 58% | 0.575 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.9 | -43.7 | 174.5 | -76.8 | 178.1 | -37.2 | 0 | 0 | 111.6 | K174 A180 S181 D182 | K174-Q178 WeakPolarHBondContact O-CB 3.21Å; K174-Q178 WeakPolarHBondContact O-CG 3.17Å; K174-Q178 PolarHBondContact O-N 2.93Å; Q178-A180 VanDerWaalsContact C-N 3.32Å; Q178-A180 PolarHBondContact O-N 3.48Å; Q178-S181 PolarHBondContact O-N 3.44Å; Q178-D182 WeakPolarHBondContact O-CB 3.27Å; Q178-D182 PolarHBondContact O-N 3.3Å |
| 179 | T | 34.3 | Very low | 33.3 | Very low | 66 Ų | 66 | 81.5 Ų | 81.5 | 41% | 0.405 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 177.4 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | T175 V176 G183 | T175-T179 VanDerWaalsContact O-CB 3.22Å; T175-T179 WeakPolarHBondContact O-CB 3.33Å; T175-T179 PolarHBondContact O-N 2.86Å; T175-T179 PolarHBondContact O-OG1 3.01Å; V176-T179 PolarHBondContact O-N 2.92Å; T179-G183 PolarHBondContact O-N 2.78Å |
| 180 | A | 33.4 | Very low | 33.3 | Very low | 44 Ų | 44 | 78.9 Ų | 78.9 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V176 Q178 G183 M184 | V176-A180 WeakPolarHBondContact O-CB 3.06Å; V176-A180 PolarHBondContact O-N 2.88Å; Q178-A180 VanDerWaalsContact C-N 3.32Å; Q178-A180 PolarHBondContact O-N 3.48Å; A180-G183 PolarHBondContact O-N 2.7Å; A180-M184 WeakPolarHBondContact O-CG 2.92Å; A180-M184 PolarHBondContact O-N 3.44Å |
| 181 | S | 33.6 | Very low | 33.1 | Very low | 77 Ų | 77 | 79.6 Ų | 79.6 | 54% | 0.538 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.1 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | G177 Q178 M184 R185 | G177-S181 VanDerWaalsContact O-CB 3.3Å; G177-S181 WeakPolarHBondContact O-CB 2.94Å; G177-S181 PolarHBondContact O-N 2.98Å; G177-S181 PolarHBondContact O-OG 3.26Å; Q178-S181 PolarHBondContact O-N 3.44Å; S181-M184 PolarHBondContact O-N 3.04Å; S181-R185 WeakPolarHBondContact O-CB 2.82Å; S181-R185 PolarHBondContact O-N 3.31Å |
| 182 | D | 37.7 | Very low | 32.7 | Very low | 91 Ų | 91 | 78.3 Ų | 78.3 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.2 | -35.6 | 177.2 | -74.9 | -23.8 | 0 | 0 | 0 | 112 | Q178 R185 M186 | Q178-D182 WeakPolarHBondContact O-CB 3.27Å; Q178-D182 PolarHBondContact O-N 3.3Å; D182-R185 PolarHBondContact O-N 2.7Å; D182-M186 PolarHBondContact O-N 2.79Å |
| 183 | G | 32.9 | Very low | 32.6 | Very low | 16 Ų | 16 | 82.6 Ų | 82.6 | 17% | 0.165 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T179 A180 M186 I187 | T179-G183 PolarHBondContact O-N 2.78Å; A180-G183 PolarHBondContact O-N 2.7Å; G183-M186 PolarHBondContact O-N 2.7Å; G183-I187 WeakPolarHBondContact O-CD1 3.33Å; G183-I187 VanDerWaalsContact O-CG1 3.24Å; G183-I187 WeakPolarHBondContact O-CG1 3.26Å; G183-I187 PolarHBondContact O-N 2.88Å |
| 184 | M | 30.3 | Very low | 32.4 | Very low | 129 Ų | 129 | 80.3 Ų | 80.3 | 64% | 0.635 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.5 | -33.9 | 175.4 | -71.7 | -57.9 | -83.8 | 0 | 0 | 112.7 | A180 S181 I187 G188 | A180-M184 WeakPolarHBondContact O-CG 2.92Å; A180-M184 PolarHBondContact O-N 3.44Å; S181-M184 PolarHBondContact O-N 3.04Å; M184-I187 PolarHBondContact O-N 2.98Å; M184-I187 HydrophobicContact SD-CD1 4.12Å; M184-G188 PolarHBondContact O-N 2.88Å |
| 185 | R | 33.2 | Very low | 32.1 | Very low | 150 Ų | 150 | 76.9 Ų | 76.9 | 57% | 0.566 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.7 | -41.3 | 173.9 | -150.6 | 174.6 | 90 | 76 | 14.7 | 111.5 | S181 D182 G188 E189 | S181-R185 WeakPolarHBondContact O-CB 2.82Å; S181-R185 PolarHBondContact O-N 3.31Å; D182-R185 PolarHBondContact O-N 2.7Å; R185-G188 PolarHBondContact O-N 2.91Å; R185-E189 IonicContact CZ-OE1 3.2Å; R185-E189 IonicContact NH1-OE1 2.84Å; R185-E189 PolarHBondContact NH1-OE1 3.31Å; R185-E189 IonicContact NH2-OE1 2.73Å; R185-E189 PolarHBondContact NH2-OE1 2.91Å; R185-E189 IonicContact NH2-OE2 3.17Å; R185-E189 WeakPolarHBondContact O-CB 3.38Å; R185-E189 WeakPolarHBondContact O-CG 2.96Å; R185-E189 PolarHBondContact O-N 3.48Å |
| 186 | M | 32.7 | Very low | 31.7 | Very low | 99 Ų | 99 | 74.6 Ų | 74.6 | 49% | 0.488 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.3 | -40.5 | 174.3 | -95.7 | -169.6 | -72.3 | 0 | 0 | 113.2 | D182 G183 G188 E189 N190 | D182-M186 PolarHBondContact O-N 2.79Å; G183-M186 PolarHBondContact O-N 2.7Å; M186-G188 VanDerWaalsContact C-N 3.3Å; M186-G188 PolarHBondContact O-N 3Å; M186-E189 PolarHBondContact O-N 3.24Å; M186-N190 WeakPolarHBondContact O-CB 3.37Å; M186-N190 VanDerWaalsContact O-CG 3.26Å; M186-N190 PolarHBondContact O-N 2.93Å; M186-N190 PolarHBondContact O-ND2 3.41Å |
| 187 | I | 32.3 | Very low | 31.5 | Very low | 81 Ų | 81 | 75.3 Ų | 75.3 | 42% | 0.415 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 173.3 | -68.9 | 163 | 0 | 0 | 0 | 109.5 | G183 M184 V191 | G183-I187 WeakPolarHBondContact O-CD1 3.33Å; G183-I187 VanDerWaalsContact O-CG1 3.24Å; G183-I187 WeakPolarHBondContact O-CG1 3.26Å; G183-I187 PolarHBondContact O-N 2.88Å; M184-I187 PolarHBondContact O-N 2.98Å; M184-I187 HydrophobicContact SD-CD1 4.12Å; I187-V191 HydrophobicContact CG2-CG2 4.31Å; I187-V191 VanDerWaalsContact O-CB 3.31Å; I187-V191 WeakPolarHBondContact O-CB 2.9Å; I187-V191 WeakPolarHBondContact O-CG2 3.31Å; I187-V191 PolarHBondContact O-N 2.93Å |
| 188 | G | 30.5 | Very low | 31.2 | Very low | 42 Ų | 42 | 78.7 Ų | 78.7 | 43% | 0.433 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64 | -46 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M184 R185 M186 A192 | M184-G188 PolarHBondContact O-N 2.88Å; R185-G188 PolarHBondContact O-N 2.91Å; M186-G188 VanDerWaalsContact C-N 3.3Å; M186-G188 PolarHBondContact O-N 3Å; G188-A192 VanDerWaalsContact O-CB 3.24Å; G188-A192 WeakPolarHBondContact O-CB 3.13Å; G188-A192 PolarHBondContact O-N 3.36Å |
| 189 | E | 32.2 | Very low | 30.9 | Very low | 95 Ų | 95 | 77.5 Ų | 77.5 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -36.5 | 177.1 | -76.1 | 176.3 | 175.4 | 0 | 0 | 111.8 | R185 M186 H193 | R185-E189 IonicContact CZ-OE1 3.2Å; R185-E189 IonicContact NH1-OE1 2.84Å; R185-E189 PolarHBondContact NH1-OE1 3.31Å; R185-E189 IonicContact NH2-OE1 2.73Å; R185-E189 PolarHBondContact NH2-OE1 2.91Å; R185-E189 IonicContact NH2-OE2 3.17Å; R185-E189 WeakPolarHBondContact O-CB 3.38Å; R185-E189 WeakPolarHBondContact O-CG 2.96Å; R185-E189 PolarHBondContact O-N 3.48Å; M186-E189 PolarHBondContact O-N 3.24Å; E189-H193 WeakPolarHBondContact O-CB 3.32Å; E189-H193 PolarHBondContact O-N 2.82Å |
| 190 | N | 30 | Very low | 30.6 | Very low | 57 Ų | 57 | 81.1 Ų | 81.1 | 31% | 0.305 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.6 | -33.2 | 178.7 | -74 | -29.2 | 0 | 0 | 0 | 113.8 | M186 H193 G194 W219 | M186-N190 WeakPolarHBondContact O-CB 3.37Å; M186-N190 VanDerWaalsContact O-CG 3.26Å; M186-N190 PolarHBondContact O-N 2.93Å; M186-N190 PolarHBondContact O-ND2 3.41Å; N190-H193 PolarHBondContact O-N 3.43Å; N190-G194 PolarHBondContact O-N 2.93Å; N190-W219 HydrophobicContact CB-CH2 4.48Å |
| 191 | V | 30.6 | Very low | 30.3 | Very low | 98 Ų | 98 | 80.8 Ų | 80.8 | 59% | 0.594 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.2 | -38.4 | 169.6 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | I187 A195 | I187-V191 HydrophobicContact CG2-CG2 4.31Å; I187-V191 VanDerWaalsContact O-CB 3.31Å; I187-V191 WeakPolarHBondContact O-CB 2.9Å; I187-V191 WeakPolarHBondContact O-CG2 3.31Å; I187-V191 PolarHBondContact O-N 2.93Å; V191-A195 WeakPolarHBondContact O-CB 3.25Å; V191-A195 PolarHBondContact O-N 3.4Å |
| 192 | A | 29.2 | Very low | 30 | Very low | 65 Ų | 65 | 80.9 Ų | 80.9 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G188 G196 | G188-A192 VanDerWaalsContact O-CB 3.24Å; G188-A192 WeakPolarHBondContact O-CB 3.13Å; G188-A192 PolarHBondContact O-N 3.36Å; A192-G196 PolarHBondContact O-N 2.89Å; A192-G196 VanDerWaalsContact O-N 3.1Å |
| 193 | H | 30 | Very low | 29.5 | Very low | 122 Ų | 122 | 85.3 Ų | 85.3 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.7 | -39.6 | 176.2 | -163.5 | 9.9 | 0 | 0 | 0 | 112.3 | E189 N190 G196 V197 | E189-H193 WeakPolarHBondContact O-CB 3.32Å; E189-H193 PolarHBondContact O-N 2.82Å; N190-H193 PolarHBondContact O-N 3.43Å; H193-G196 CarbonylContact O-C 3.58Å; H193-G196 WeakPolarHBondContact O-CA 3.36Å; H193-G196 PolarHBondContact O-N 2.81Å; H193-V197 WeakPolarHBondContact O-CG2 3.34Å; H193-V197 PolarHBondContact O-N 3.2Å |
| 194 | G | 28.3 | Very low | 29.3 | Very low | 17 Ų | 17 | 89.3 Ų | 89.3 | 18% | 0.175 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | N190 G196 V197 V198 | N190-G194 PolarHBondContact O-N 2.93Å; G194-G196 VanDerWaalsContact C-N 3.29Å; G194-G196 PolarHBondContact O-N 2.94Å; G194-V197 PolarHBondContact O-N 2.99Å; G194-V198 WeakPolarHBondContact O-CG2 3.36Å; G194-V198 PolarHBondContact O-N 2.89Å |
| 195 | A | 27.1 | Very low | 29 | Very low | 54 Ų | 54 | 86 Ų | 86 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V191 V198 V199 | V191-A195 WeakPolarHBondContact O-CB 3.25Å; V191-A195 PolarHBondContact O-N 3.4Å; A195-V198 PolarHBondContact O-N 3.47Å; A195-V199 WeakPolarHBondContact O-CB 3.34Å; A195-V199 VanDerWaalsContact O-CG2 3.26Å; A195-V199 WeakPolarHBondContact O-CG2 3.34Å; A195-V199 PolarHBondContact O-N 2.84Å |
| 196 | G | 26 | Very low | 28.8 | Very low | 32 Ų | 32 | 82.4 Ų | 82.4 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A192 H193 G194 V199 E200 | A192-G196 PolarHBondContact O-N 2.89Å; A192-G196 VanDerWaalsContact O-N 3.1Å; H193-G196 CarbonylContact O-C 3.58Å; H193-G196 WeakPolarHBondContact O-CA 3.36Å; H193-G196 PolarHBondContact O-N 2.81Å; G194-G196 VanDerWaalsContact C-N 3.29Å; G194-G196 PolarHBondContact O-N 2.94Å; G196-V199 PolarHBondContact O-N 3.31Å; G196-E200 PolarHBondContact O-N 2.89Å |
| 197 | V | 28.5 | Very low | 28.6 | Very low | 87 Ų | 87 | 86.1 Ų | 86.1 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -74.8 | -32.6 | 177 | 177.5 | 0 | 0 | 0 | 0 | 112 | H193 G194 V199 G201 | H193-V197 WeakPolarHBondContact O-CG2 3.34Å; H193-V197 PolarHBondContact O-N 3.2Å; G194-V197 PolarHBondContact O-N 2.99Å; V197-V199 VanDerWaalsContact C-N 3.31Å; V197-G201 WeakPolarHBondContact O-CA 3.45Å; V197-G201 PolarHBondContact O-N 2.82Å |
| 198 | V | 27.5 | Very low | 28.2 | Very low | 107 Ų | 107 | 90 Ų | 90 | 65% | 0.648 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.1 | -36.1 | 169.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | G194 A195 A202 | G194-V198 WeakPolarHBondContact O-CG2 3.36Å; G194-V198 PolarHBondContact O-N 2.89Å; A195-V198 PolarHBondContact O-N 3.47Å; V198-A202 WeakPolarHBondContact O-CB 3.3Å; V198-A202 PolarHBondContact O-N 3.48Å |
| 199 | V | 28.3 | Very low | 28 | Very low | 99 Ų | 99 | 94 Ų | 94 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.5 | -41.7 | 175.5 | 169.3 | 0 | 0 | 0 | 0 | 112.4 | A195 G196 V197 K203 | A195-V199 WeakPolarHBondContact O-CB 3.34Å; A195-V199 VanDerWaalsContact O-CG2 3.26Å; A195-V199 WeakPolarHBondContact O-CG2 3.34Å; A195-V199 PolarHBondContact O-N 2.84Å; G196-V199 PolarHBondContact O-N 3.31Å; V197-V199 VanDerWaalsContact C-N 3.31Å; V199-K203 WeakPolarHBondContact O-CB 3.4Å; V199-K203 PolarHBondContact O-N 3.46Å |
| 200 | E | 28.3 | Very low | 27.8 | Very low | 142 Ų | 142 | 94 Ų | 94 | 66% | 0.664 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.6 | -34.2 | 173.6 | -77.1 | -163.5 | 159.1 | 0 | 0 | 112.7 | G196 K203 S204 | G196-E200 PolarHBondContact O-N 2.89Å; E200-K203 CarbonylContact O-C 3.59Å; E200-K203 WeakPolarHBondContact O-CA 3.13Å; E200-K203 WeakPolarHBondContact O-CB 3.28Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 VanDerWaalsContact O-N 3.15Å; E200-S204 PolarHBondContact O-N 2.89Å |
| 201 | G | 27.2 | Very low | 27.7 | Very low | 37 Ų | 37 | 98 Ų | 98 | 38% | 0.381 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65 | -42 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V197 K203 S204 A205 | V197-G201 WeakPolarHBondContact O-CA 3.45Å; V197-G201 PolarHBondContact O-N 2.82Å; G201-K203 PolarHBondContact O-N 2.89Å; G201-S204 PolarHBondContact O-N 3.24Å; G201-A205 WeakPolarHBondContact O-CB 3.35Å; G201-A205 PolarHBondContact O-N 2.93Å |
| 202 | A | 27.4 | Very low | 27.6 | Very low | 78 Ų | 78 | 96 Ų | 96 | 65% | 0.645 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.1 | -26 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V198 | V198-A202 WeakPolarHBondContact O-CB 3.3Å; V198-A202 PolarHBondContact O-N 3.48Å |
| 203 | K | 26.8 | Very low | 27.6 | Very low | 185 Ų | 185 | 96.5 Ų | 96.5 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.1 | -22.1 | 174.5 | -153.6 | 178.6 | -176.5 | -174.2 | 0 | 113.1 | V199 E200 G201 | V199-K203 WeakPolarHBondContact O-CB 3.4Å; V199-K203 PolarHBondContact O-N 3.46Å; E200-K203 CarbonylContact O-C 3.59Å; E200-K203 WeakPolarHBondContact O-CA 3.13Å; E200-K203 WeakPolarHBondContact O-CB 3.28Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 VanDerWaalsContact O-N 3.15Å; G201-K203 PolarHBondContact O-N 2.89Å |
| 204 | S | 28.1 | Very low | 27.5 | Very low | 100 Ų | 100 | 97.7 Ų | 97.7 | 70% | 0.699 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -108.6 | -8.8 | -178.9 | -167.2 | 0 | 0 | 0 | 0 | 114.8 | E200 G201 G206 | E200-S204 PolarHBondContact O-N 2.89Å; G201-S204 PolarHBondContact O-N 3.24Å; S204-G206 PolarHBondContact O-N 2.84Å |
| 205 | A | 25.8 | Very low | 27.6 | Very low | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.2 | 59.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G201 E207 | G201-A205 WeakPolarHBondContact O-CB 3.35Å; G201-A205 PolarHBondContact O-N 2.93Å; A205-E207 VanDerWaalsContact C-N 3.3Å |
| 206 | G | 27.8 | Very low | 27.7 | Very low | 76 Ų | 76 | 99.3 Ų | 99.3 | 78% | 0.784 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -22.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S204 | S204-G206 PolarHBondContact O-N 2.84Š|
| 207 | E | 29.1 | Very low | 27.9 | Very low | 177 Ų | 177 | 101 Ų | 101 | 83% | 0.827 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -151.9 | 118.9 | -177.4 | -68.4 | -179.7 | 149.8 | 0 | 0 | 111.6 | A205 | A205-E207 VanDerWaalsContact C-N 3.3Š|
| 208 | Q | 23.8 | Very low | 27.9 | Very low | 162 Ų | 162 | 106 Ų | 106 | 76% | 0.757 | 63% | 0.632 | S | S | * | * | trans | 108.8 | 93.1 | 175.1 | -59.4 | -172.9 | -1.1 | 0 | 0 | 116.3 | ||||
| 209 | T | 26.8 | Very low | 28 | Very low | 125 Ų | 125 | 106 Ų | 106 | 77% | 0.767 | 62% | 0.62 | S | S | * | * | trans | -114.2 | 26.5 | -163.2 | -42.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 210 | V | 26.8 | Very low | 28.2 | Very low | 97 Ų | 97 | 105.1 Ų | 105.1 | 59% | 0.588 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -132 | -28.9 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 113.5 | K214 | V210-K214 HydrophobicContact CG1-CD 4.29Å; V210-K214 WeakPolarHBondContact O-CB 3.35Å; V210-K214 PolarHBondContact O-N 3.42Å |
| 211 | E | 28.4 | Very low | 28.2 | Very low | 141 Ų | 141 | 100.3 Ų | 100.3 | 66% | 0.659 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.6 | -33.4 | -178.7 | -101.7 | 172.5 | 161.7 | 0 | 0 | 113.8 | S215 | E211-S215 WeakPolarHBondContact O-CB 3.5Å; E211-S215 PolarHBondContact O-N 2.95Å; E211-S215 PolarHBondContact O-OG 2.98Å |
| 212 | G | 29.4 | Very low | 28.5 | Very low | 55 Ų | 55 | 104.6 Ų | 104.6 | 57% | 0.567 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.8 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S215 G216 | G212-S215 PolarHBondContact O-N 3.49Å; G212-G216 PolarHBondContact O-N 2.93Å |
| 213 | A | 28.8 | Very low | 28.6 | Very low | 76 Ų | 76 | 103.3 Ų | 103.3 | 63% | 0.628 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.7 | -38.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A217 | A213-A217 VanDerWaalsContact O-CB 3.3Å; A213-A217 WeakPolarHBondContact O-CB 3.45Å; A213-A217 PolarHBondContact O-N 3.4Å |
| 214 | K | 28.4 | Very low | 28.8 | Very low | 146 Ų | 146 | 99.4 Ų | 99.4 | 64% | 0.635 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67 | -41.3 | 172.3 | -83 | -178.4 | 177.2 | 177.9 | 0 | 112 | V210 R218 | V210-K214 HydrophobicContact CG1-CD 4.29Å; V210-K214 WeakPolarHBondContact O-CB 3.35Å; V210-K214 PolarHBondContact O-N 3.42Å; K214-R218 WeakPolarHBondContact O-CB 3.3Å; K214-R218 PolarHBondContact O-N 3.38Å |
| 215 | S | 29.6 | Very low | 29 | Very low | 72 Ų | 72 | 97.6 Ų | 97.6 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.1 | -38.9 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | E211 G212 W219 | E211-S215 WeakPolarHBondContact O-CB 3.5Å; E211-S215 PolarHBondContact O-N 2.95Å; E211-S215 PolarHBondContact O-OG 2.98Å; G212-S215 PolarHBondContact O-N 3.49Å; S215-W219 WeakPolarHBondContact O-CB 3.24Å; S215-W219 PolarHBondContact O-N 2.74Å |
| 216 | G | 29.2 | Very low | 29.3 | Very low | 33 Ų | 33 | 100.6 Ų | 100.6 | 34% | 0.34 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.2 | -46.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G212 R218 W219 V220 | G212-G216 PolarHBondContact O-N 2.93Å; G216-R218 PolarHBondContact O-N 2.8Å; G216-W219 PolarHBondContact O-N 3.42Å; G216-V220 WeakPolarHBondContact O-CB 3.46Å; G216-V220 VanDerWaalsContact O-CG2 3.25Å; G216-V220 WeakPolarHBondContact O-CG2 3.49Å; G216-V220 PolarHBondContact O-N 3.02Å |
| 217 | A | 30 | Very low | 29.4 | Very low | 68 Ų | 68 | 98 Ų | 98 | 56% | 0.562 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.9 | -37.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A213 G221 | A213-A217 VanDerWaalsContact O-CB 3.3Å; A213-A217 WeakPolarHBondContact O-CB 3.45Å; A213-A217 PolarHBondContact O-N 3.4Å; A217-G221 PolarHBondContact O-N 2.75Å |
| 218 | R | 29 | Very low | 29.6 | Very low | 193 Ų | 193 | 92.1 Ų | 92.1 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.6 | -36.8 | 177.7 | -152.9 | 174.5 | -160.9 | 168.3 | 3.2 | 111.7 | K214 G216 G221 E222 | K214-R218 WeakPolarHBondContact O-CB 3.3Å; K214-R218 PolarHBondContact O-N 3.38Å; G216-R218 PolarHBondContact O-N 2.8Å; R218-G221 PolarHBondContact O-N 3.47Å; R218-E222 WeakPolarHBondContact O-CB 3.37Å; R218-E222 PolarHBondContact O-N 2.64Å |
| 219 | W | 30.1 | Very low | 29.9 | Very low | 105 Ų | 105 | 85.8 Ų | 85.8 | 40% | 0.398 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73 | -39.4 | 176.3 | -171.6 | 89.2 | 0 | 0 | 0 | 112.7 | N190 S215 G216 E222 N223 | N190-W219 HydrophobicContact CB-CH2 4.48Å; S215-W219 WeakPolarHBondContact O-CB 3.24Å; S215-W219 PolarHBondContact O-N 2.74Å; G216-W219 PolarHBondContact O-N 3.42Å; W219-E222 PolarHBondContact O-N 2.94Å; W219-N223 VanDerWaalsContact CD2-ND2 3.33Å; W219-N223 WeakPolarHBondContact O-CB 3.41Å; W219-N223 PolarHBondContact O-N 3.37Å; W219-N223 PolarHBondContact O-ND2 3.42Å |
| 220 | V | 30.7 | Very low | 30.2 | Very low | 81 Ų | 81 | 85.6 Ų | 85.6 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 170.2 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | G216 N223 V224 | G216-V220 WeakPolarHBondContact O-CB 3.46Å; G216-V220 VanDerWaalsContact O-CG2 3.25Å; G216-V220 WeakPolarHBondContact O-CG2 3.49Å; G216-V220 PolarHBondContact O-N 3.02Å; V220-N223 PolarHBondContact O-N 2.87Å; V220-V224 HydrophobicContact CG1-CG2 4.24Å; V220-V224 WeakPolarHBondContact O-CB 3.07Å; V220-V224 WeakPolarHBondContact O-CG2 2.97Å; V220-V224 PolarHBondContact O-N 2.72Å |
| 221 | G | 30.2 | Very low | 30.4 | Very low | 41 Ų | 41 | 84.7 Ų | 84.7 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A217 R218 A225 | A217-G221 PolarHBondContact O-N 2.75Å; R218-G221 PolarHBondContact O-N 3.47Å; G221-A225 VanDerWaalsContact O-CB 3.28Å; G221-A225 WeakPolarHBondContact O-CB 2.92Å; G221-A225 PolarHBondContact O-N 2.68Å |
| 222 | E | 31.6 | Very low | 30.6 | Very low | 128 Ų | 128 | 80.4 Ų | 80.4 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.7 | -37.4 | 177.2 | -84 | 177.3 | 169.9 | 0 | 0 | 112.7 | R218 W219 H226 | R218-E222 WeakPolarHBondContact O-CB 3.37Å; R218-E222 PolarHBondContact O-N 2.64Å; W219-E222 PolarHBondContact O-N 2.94Å; E222-H226 VanDerWaalsContact O-CB 3.32Å; E222-H226 WeakPolarHBondContact O-CB 3.33Å; E222-H226 PolarHBondContact O-N 3.49Å |
| 223 | N | 31.2 | Very low | 31 | Very low | 51 Ų | 51 | 82.2 Ų | 82.2 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -78.3 | -33.3 | 179.3 | -78.4 | -83.5 | 0 | 0 | 0 | 113.3 | W219 V220 H226 G227 | W219-N223 VanDerWaalsContact CD2-ND2 3.33Å; W219-N223 WeakPolarHBondContact O-CB 3.41Å; W219-N223 PolarHBondContact O-N 3.37Å; W219-N223 PolarHBondContact O-ND2 3.42Å; V220-N223 PolarHBondContact O-N 2.87Å; N223-H226 PolarHBondContact O-N 2.97Å; N223-G227 PolarHBondContact O-N 3.43Å |
| 224 | V | 30.3 | Very low | 31.2 | Very low | 102 Ų | 102 | 79.5 Ų | 79.5 | 62% | 0.618 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 169.8 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | V220 G227 A228 | V220-V224 HydrophobicContact CG1-CG2 4.24Å; V220-V224 WeakPolarHBondContact O-CB 3.07Å; V220-V224 WeakPolarHBondContact O-CG2 2.97Å; V220-V224 PolarHBondContact O-N 2.72Å; V224-G227 PolarHBondContact O-N 3.47Å; V224-A228 VanDerWaalsContact O-CB 3.26Å; V224-A228 WeakPolarHBondContact O-CB 3.29Å; V224-A228 PolarHBondContact O-N 2.95Å |
| 225 | A | 32.1 | Very low | 31.4 | Very low | 62 Ų | 62 | 74.7 Ų | 74.7 | 51% | 0.512 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G221 G229 | G221-A225 VanDerWaalsContact O-CB 3.28Å; G221-A225 WeakPolarHBondContact O-CB 2.92Å; G221-A225 PolarHBondContact O-N 2.68Å; A225-G229 PolarHBondContact O-N 2.88Å |
| 226 | H | 32.3 | Very low | 31.6 | Very low | 121 Ų | 121 | 77.7 Ų | 77.7 | 56% | 0.56 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.8 | -40.3 | 176.6 | -161.7 | 78 | 0 | 0 | 0 | 112.6 | E222 N223 G229 K230 | E222-H226 VanDerWaalsContact O-CB 3.32Å; E222-H226 WeakPolarHBondContact O-CB 3.33Å; E222-H226 PolarHBondContact O-N 3.49Å; N223-H226 PolarHBondContact O-N 2.97Å; H226-G229 PolarHBondContact O-N 2.82Å; H226-K230 WeakPolarHBondContact O-CG 3.21Å; H226-K230 PolarHBondContact O-N 3.22Å |
| 227 | G | 30.9 | Very low | 31.9 | Very low | 22 Ų | 22 | 79.4 Ų | 79.4 | 23% | 0.227 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N223 V224 G229 K230 V231 | N223-G227 PolarHBondContact O-N 3.43Å; V224-G227 PolarHBondContact O-N 3.47Å; G227-G229 VanDerWaalsContact C-N 3.3Å; G227-G229 PolarHBondContact O-N 2.84Å; G227-K230 PolarHBondContact O-N 2.89Å; G227-V231 WeakPolarHBondContact O-CG2 2.98Å; G227-V231 PolarHBondContact O-N 3.48Å |
| 228 | A | 31.7 | Very low | 32 | Very low | 53 Ų | 53 | 77.2 Ų | 77.2 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V224 V231 A232 | V224-A228 VanDerWaalsContact O-CB 3.26Å; V224-A228 WeakPolarHBondContact O-CB 3.29Å; V224-A228 PolarHBondContact O-N 2.95Å; A228-V231 PolarHBondContact O-N 3.5Å; A228-A232 VanDerWaalsContact O-CB 3.26Å; A228-A232 WeakPolarHBondContact O-CB 3.29Å; A228-A232 PolarHBondContact O-N 3.48Å |
| 229 | G | 30.5 | Very low | 32.1 | Very low | 29 Ų | 29 | 69.2 Ų | 69.2 | 30% | 0.299 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | A225 H226 G227 A232 D233 | A225-G229 PolarHBondContact O-N 2.88Å; H226-G229 PolarHBondContact O-N 2.82Å; G227-G229 VanDerWaalsContact C-N 3.3Å; G227-G229 PolarHBondContact O-N 2.84Å; G229-A232 PolarHBondContact O-N 3.46Å; G229-D233 WeakPolarHBondContact O-CB 3.32Å; G229-D233 PolarHBondContact O-N 2.88Å |
| 230 | K | 33.3 | Very low | 32.3 | Very low | 121 Ų | 121 | 69.3 Ų | 69.3 | 53% | 0.526 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 177.4 | -71.1 | -82.3 | -173.4 | 169.9 | 0 | 113.3 | H226 G227 D233 G234 | H226-K230 WeakPolarHBondContact O-CG 3.21Å; H226-K230 PolarHBondContact O-N 3.22Å; G227-K230 PolarHBondContact O-N 2.89Å; K230-D233 PolarHBondContact O-N 2.79Å; K230-G234 PolarHBondContact O-N 3.04Å |
| 231 | V | 31.3 | Very low | 32.4 | Very low | 78 Ų | 78 | 69.2 Ų | 69.2 | 47% | 0.473 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 173.4 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | G227 A228 G234 A235 | G227-V231 WeakPolarHBondContact O-CG2 2.98Å; G227-V231 PolarHBondContact O-N 3.48Å; A228-V231 PolarHBondContact O-N 3.5Å; V231-G234 PolarHBondContact O-N 3.28Å; V231-A235 WeakPolarHBondContact O-CB 2.97Å; V231-A235 PolarHBondContact O-N 3Å |
| 232 | A | 33.2 | Very low | 32.5 | Very low | 52 Ų | 52 | 71.8 Ų | 71.8 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | A228 G229 G234 A235 K236 | A228-A232 VanDerWaalsContact O-CB 3.26Å; A228-A232 WeakPolarHBondContact O-CB 3.29Å; A228-A232 PolarHBondContact O-N 3.48Å; G229-A232 PolarHBondContact O-N 3.46Å; A232-G234 VanDerWaalsContact C-N 3.35Å; A232-A235 PolarHBondContact O-N 3.45Å; A232-K236 WeakPolarHBondContact O-CB 2.83Å; A232-K236 PolarHBondContact O-N 2.84Å |
| 233 | D | 36.1 | Very low | 32.6 | Very low | 92 Ų | 92 | 67.9 Ų | 67.9 | 49% | 0.492 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 175.1 | -73.6 | -24.1 | 0 | 0 | 0 | 112.1 | G229 K230 S237 | G229-D233 WeakPolarHBondContact O-CB 3.32Å; G229-D233 PolarHBondContact O-N 2.88Å; K230-D233 PolarHBondContact O-N 2.79Å; D233-S237 VanDerWaalsContact O-CB 3.24Å; D233-S237 WeakPolarHBondContact O-CB 2.99Å; D233-S237 PolarHBondContact O-N 2.9Å; D233-S237 PolarHBondContact O-OG 2.9Å |
| 234 | G | 33.2 | Very low | 32.9 | Very low | 19 Ų | 19 | 70.4 Ų | 70.4 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K230 V231 A232 K236 S237 A238 | K230-G234 PolarHBondContact O-N 3.04Å; V231-G234 PolarHBondContact O-N 3.28Å; A232-G234 VanDerWaalsContact C-N 3.35Å; G234-K236 VanDerWaalsContact C-N 3.34Å; G234-S237 PolarHBondContact O-N 3.37Å; G234-A238 WeakPolarHBondContact O-CB 3.27Å; G234-A238 PolarHBondContact O-N 3.45Å |
| 235 | A | 32.7 | Very low | 32.9 | Very low | 45 Ų | 45 | 67.3 Ų | 67.3 | 37% | 0.372 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V231 A232 G239 | V231-A235 WeakPolarHBondContact O-CB 2.97Å; V231-A235 PolarHBondContact O-N 3Å; A232-A235 PolarHBondContact O-N 3.45Å; A235-G239 PolarHBondContact O-N 3.26Å |
| 236 | K | 34.4 | Very low | 32.9 | Very low | 136 Ų | 136 | 66.8 Ų | 66.8 | 59% | 0.591 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.9 | -39.7 | 175.1 | -167.4 | 177.4 | -176 | -177.4 | 0 | 111.7 | A232 G234 G239 Q240 | A232-K236 WeakPolarHBondContact O-CB 2.83Å; A232-K236 PolarHBondContact O-N 2.84Å; G234-K236 VanDerWaalsContact C-N 3.34Å; K236-G239 PolarHBondContact O-N 3.43Å; K236-Q240 WeakPolarHBondContact O-CB 3.19Å; K236-Q240 PolarHBondContact O-N 3.49Å |
| 237 | S | 34.5 | Very low | 32.8 | Very low | 68 Ų | 68 | 64.4 Ų | 64.4 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 172.9 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | D233 G234 Q240 S241 | D233-S237 VanDerWaalsContact O-CB 3.24Å; D233-S237 WeakPolarHBondContact O-CB 2.99Å; D233-S237 PolarHBondContact O-N 2.9Å; D233-S237 PolarHBondContact O-OG 2.9Å; G234-S237 PolarHBondContact O-N 3.37Å; S237-Q240 CarbonylContact O-C 3.53Å; S237-Q240 PolarHBondContact O-N 3.3Å; S237-S241 PolarHBondContact O-N 3.09Å; S237-S241 PolarHBondContact O-OG 2.93Å; S237-S241 VanDerWaalsContact O-OG 3.11Å |
| 238 | A | 32.4 | Very low | 33 | Very low | 23 Ų | 23 | 66.3 Ų | 66.3 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V176 G234 Q240 S241 I242 | V176-A238 HydrophobicContact CG2-CB 3.65Å; G234-A238 WeakPolarHBondContact O-CB 3.27Å; G234-A238 PolarHBondContact O-N 3.45Å; A238-Q240 VanDerWaalsContact C-N 3.32Å; A238-Q240 PolarHBondContact O-N 2.9Å; A238-S241 PolarHBondContact O-N 2.71Å; A238-I242 VanDerWaalsContact O-CB 3.29Å; A238-I242 WeakPolarHBondContact O-CB 2.91Å; A238-I242 WeakPolarHBondContact O-CD1 3.35Å; A238-I242 WeakPolarHBondContact O-CG1 3.26Å; A238-I242 PolarHBondContact O-N 3.34Å |
| 239 | G | 32.3 | Very low | 32.9 | Very low | 25 Ų | 25 | 66.2 Ų | 66.2 | 26% | 0.258 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A235 K236 A243 | A235-G239 PolarHBondContact O-N 3.26Å; K236-G239 PolarHBondContact O-N 3.43Å; G239-A243 WeakPolarHBondContact O-CB 3.24Å; G239-A243 PolarHBondContact O-N 3.06Å |
| 240 | Q | 34 | Very low | 32.8 | Very low | 106 Ų | 106 | 69.6 Ų | 69.6 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.9 | -41.1 | 174.2 | -88.9 | 170.2 | -90 | 0 | 0 | 112.5 | K236 S237 A238 I242 A243 D244 | K236-Q240 WeakPolarHBondContact O-CB 3.19Å; K236-Q240 PolarHBondContact O-N 3.49Å; S237-Q240 CarbonylContact O-C 3.53Å; S237-Q240 PolarHBondContact O-N 3.3Å; A238-Q240 VanDerWaalsContact C-N 3.32Å; A238-Q240 PolarHBondContact O-N 2.9Å; Q240-I242 PolarHBondContact O-N 2.87Å; Q240-A243 CarbonylContact O-C 3.56Å; Q240-A243 PolarHBondContact O-N 3.48Å; Q240-D244 VanDerWaalsContact O-CB 3.25Å; Q240-D244 WeakPolarHBondContact O-CB 3.02Å; Q240-D244 PolarHBondContact O-N 2.95Å |
| 241 | S | 33.2 | Very low | 32.7 | Very low | 79 Ų | 79 | 68.1 Ų | 68.1 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.9 | -33.4 | 174.2 | -59 | 0 | 0 | 0 | 0 | 112.8 | S237 A238 G245 | S237-S241 PolarHBondContact O-N 3.09Å; S237-S241 PolarHBondContact O-OG 2.93Å; S237-S241 VanDerWaalsContact O-OG 3.11Å; A238-S241 PolarHBondContact O-N 2.71Å; S241-G245 PolarHBondContact O-N 2.75Å |
| 242 | I | 32 | Very low | 32.7 | Very low | 96 Ų | 96 | 67.8 Ų | 67.8 | 49% | 0.492 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 170.9 | -70 | 165.7 | 0 | 0 | 0 | 110.6 | A238 Q240 A246 | A238-I242 VanDerWaalsContact O-CB 3.29Å; A238-I242 WeakPolarHBondContact O-CB 2.91Å; A238-I242 WeakPolarHBondContact O-CD1 3.35Å; A238-I242 WeakPolarHBondContact O-CG1 3.26Å; A238-I242 PolarHBondContact O-N 3.34Å; Q240-I242 PolarHBondContact O-N 2.87Å; I242-A246 WeakPolarHBondContact O-CB 3.19Å; I242-A246 PolarHBondContact O-N 3.5Å |
| 243 | A | 33.5 | Very low | 32.4 | Very low | 45 Ų | 45 | 67.4 Ų | 67.4 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G239 Q240 A246 V247 | G239-A243 WeakPolarHBondContact O-CB 3.24Å; G239-A243 PolarHBondContact O-N 3.06Å; Q240-A243 CarbonylContact O-C 3.56Å; Q240-A243 PolarHBondContact O-N 3.48Å; A243-A246 CarbonylContact O-C 3.45Å; A243-A246 PolarHBondContact O-N 3.27Å; A243-V247 WeakPolarHBondContact O-CB 3.33Å; A243-V247 WeakPolarHBondContact O-CG2 3.5Å; A243-V247 PolarHBondContact O-N 3.09Å |
| 244 | D | 36.2 | Very low | 32 | Very low | 104 Ų | 104 | 67.1 Ų | 67.1 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -68.7 | -38 | 177.7 | -67.3 | -21.4 | 0 | 0 | 0 | 110.7 | Q240 V247 A248 | Q240-D244 VanDerWaalsContact O-CB 3.25Å; Q240-D244 WeakPolarHBondContact O-CB 3.02Å; Q240-D244 PolarHBondContact O-N 2.95Å; D244-V247 PolarHBondContact O-N 2.87Å; D244-A248 VanDerWaalsContact O-CB 3.31Å; D244-A248 WeakPolarHBondContact O-CB 3.26Å; D244-A248 PolarHBondContact O-N 2.74Å |
| 245 | G | 32.1 | Very low | 31.8 | Very low | 38 Ų | 38 | 75 Ų | 75 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S241 A249 | S241-G245 PolarHBondContact O-N 2.75Å; G245-A249 WeakPolarHBondContact O-CB 3.4Å; G245-A249 PolarHBondContact O-N 2.88Å |
| 246 | A | 30.6 | Very low | 31.6 | Very low | 51 Ų | 51 | 75.7 Ų | 75.7 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.8 | -30.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I242 A243 K250 | I242-A246 WeakPolarHBondContact O-CB 3.19Å; I242-A246 PolarHBondContact O-N 3.5Å; A243-A246 CarbonylContact O-C 3.45Å; A243-A246 PolarHBondContact O-N 3.27Å; A246-K250 WeakPolarHBondContact O-CB 3.22Å; A246-K250 PolarHBondContact O-N 3.4Å |
| 247 | V | 31.5 | Very low | 31.2 | Very low | 71 Ų | 71 | 71.4 Ų | 71.4 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.7 | -41.1 | 173.1 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | A243 D244 K250 D251 | A243-V247 WeakPolarHBondContact O-CB 3.33Å; A243-V247 WeakPolarHBondContact O-CG2 3.5Å; A243-V247 PolarHBondContact O-N 3.09Å; D244-V247 PolarHBondContact O-N 2.87Å; V247-K250 CarbonylContact O-C 3.44Å; V247-K250 WeakPolarHBondContact O-CB 3.22Å; V247-K250 PolarHBondContact O-N 2.88Å; V247-D251 WeakPolarHBondContact O-CB 3.2Å; V247-D251 VanDerWaalsContact O-CG 3.31Å; V247-D251 PolarHBondContact O-N 2.68Å |
| 248 | A | 34 | Very low | 30.9 | Very low | 62 Ų | 62 | 74.6 Ų | 74.6 | 51% | 0.512 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D244 D251 A252 | D244-A248 VanDerWaalsContact O-CB 3.31Å; D244-A248 WeakPolarHBondContact O-CB 3.26Å; D244-A248 PolarHBondContact O-N 2.74Å; A248-D251 PolarHBondContact O-N 2.77Å; A248-A252 WeakPolarHBondContact O-CB 3.35Å; A248-A252 PolarHBondContact O-N 2.67Å |
| 249 | A | 29.6 | Very low | 30.9 | Very low | 50 Ų | 50 | 80 Ų | 80 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.4 | -33.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G245 A253 | G245-A249 WeakPolarHBondContact O-CB 3.4Å; G245-A249 PolarHBondContact O-N 2.88Å; A249-A253 WeakPolarHBondContact O-CB 3.3Å; A249-A253 PolarHBondContact O-N 3.07Å |
| 250 | K | 28.4 | Very low | 30.7 | Very low | 101 Ų | 101 | 82.5 Ų | 82.5 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 171.3 | 170.5 | -176.5 | 155.9 | -73.4 | 0 | 110.9 | A246 V247 A253 V254 | A246-K250 WeakPolarHBondContact O-CB 3.22Å; A246-K250 PolarHBondContact O-N 3.4Å; V247-K250 CarbonylContact O-C 3.44Å; V247-K250 WeakPolarHBondContact O-CB 3.22Å; V247-K250 PolarHBondContact O-N 2.88Å; K250-A253 CarbonylContact O-C 3.54Å; K250-A253 PolarHBondContact O-N 2.79Å; K250-A253 VanDerWaalsContact O-N 3.16Å; K250-V254 HydrophobicContact CG-CG2 4.11Å; K250-V254 WeakPolarHBondContact O-CB 3.42Å; K250-V254 WeakPolarHBondContact O-CG2 3.4Å; K250-V254 PolarHBondContact O-N 2.68Å |
| 251 | D | 31.3 | Very low | 30.2 | Very low | 89 Ų | 89 | 79.1 Ų | 79.1 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.8 | -33.8 | -177 | -68.4 | -11.3 | 0 | 0 | 0 | 111.5 | V247 A248 V254 | V247-D251 WeakPolarHBondContact O-CB 3.2Å; V247-D251 VanDerWaalsContact O-CG 3.31Å; V247-D251 PolarHBondContact O-N 2.68Å; A248-D251 PolarHBondContact O-N 2.77Å; D251-V254 PolarHBondContact O-N 2.76Å |
| 252 | A | 31.6 | Very low | 30.1 | Very low | 71 Ų | 71 | 82.8 Ų | 82.8 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.2 | -32.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113 | A248 | A248-A252 WeakPolarHBondContact O-CB 3.35Å; A248-A252 PolarHBondContact O-N 2.67Å |
| 253 | A | 26.8 | Very low | 30 | Very low | 44 Ų | 44 | 87.3 Ų | 87.3 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.1 | -27.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A249 K250 E255 G256 A257 | A249-A253 WeakPolarHBondContact O-CB 3.3Å; A249-A253 PolarHBondContact O-N 3.07Å; K250-A253 CarbonylContact O-C 3.54Å; K250-A253 PolarHBondContact O-N 2.79Å; K250-A253 VanDerWaalsContact O-N 3.16Å; A253-E255 VanDerWaalsContact C-N 3.34Å; A253-E255 PolarHBondContact O-N 3.47Å; A253-G256 CarbonylContact O-C 3.56Å; A253-G256 PolarHBondContact O-N 2.86Å; A253-G256 VanDerWaalsContact O-N 3.09Å; A253-A257 WeakPolarHBondContact O-CA 3.35Å; A253-A257 WeakPolarHBondContact O-CB 3.5Å; A253-A257 PolarHBondContact O-N 2.95Å |
| 254 | V | 28.1 | Very low | 29.8 | Very low | 86 Ų | 86 | 89 Ų | 89 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.1 | -32 | 179.7 | 164 | 0 | 0 | 0 | 0 | 111.1 | K250 D251 G256 | K250-V254 HydrophobicContact CG-CG2 4.11Å; K250-V254 WeakPolarHBondContact O-CB 3.42Å; K250-V254 WeakPolarHBondContact O-CG2 3.4Å; K250-V254 PolarHBondContact O-N 2.68Å; D251-V254 PolarHBondContact O-N 2.76Å; V254-G256 VanDerWaalsContact C-N 3.3Å; V254-G256 PolarHBondContact O-N 2.83Å |
| 255 | E | 29.6 | Very low | 29.4 | Very low | 186 Ų | 186 | 87.9 Ų | 87.9 | 87% | 0.869 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.2 | -26.2 | 169.9 | -103.9 | -175.8 | 163.1 | 0 | 0 | 112.9 | A253 | A253-E255 VanDerWaalsContact C-N 3.34Å; A253-E255 PolarHBondContact O-N 3.47Å |
| 256 | G | 28.6 | Very low | 29.3 | Very low | 59 Ų | 59 | 93.4 Ų | 93.4 | 61% | 0.608 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -95 | -17.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A253 V254 | A253-G256 CarbonylContact O-C 3.56Å; A253-G256 PolarHBondContact O-N 2.86Å; A253-G256 VanDerWaalsContact O-N 3.09Å; V254-G256 VanDerWaalsContact C-N 3.3Å; V254-G256 PolarHBondContact O-N 2.83Å |
| 257 | A | 25.2 | Very low | 29.2 | Very low | 46 Ų | 46 | 92.9 Ų | 92.9 | 38% | 0.38 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.2 | 33.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A253 | A253-A257 WeakPolarHBondContact O-CA 3.35Å; A253-A257 WeakPolarHBondContact O-CB 3.5Å; A253-A257 PolarHBondContact O-N 2.95Å |
| 258 | T | 27.4 | Very low | 29 | Very low | 135 Ų | 135 | 94.3 Ų | 94.3 | 83% | 0.828 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -4.4 | 155.5 | -47.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 259 | T | 34.1 | Very low | 28.7 | Very low | 137 Ų | 137 | 99.9 Ų | 99.9 | 84% | 0.84 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -123.1 | -9 | -172.1 | -50.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 260 | A | 27.2 | Very low | 28.8 | Very low | 77 Ų | 77 | 103.9 Ų | 103.9 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -138.4 | 30.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N262 | A260-N262 PolarHBondContact O-N 3.43Š|
| 261 | G | 23.1 | Very low | 28.8 | Very low | 34 Ų | 34 | 102.7 Ų | 102.7 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.1 | -10.1 | -155.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 262 | N | 31.2 | Very low | 28.5 | Very low | 156 Ų | 156 | 100.4 Ų | 100.4 | 83% | 0.834 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 5.3 | -164.6 | -72.3 | -21.6 | 0 | 0 | 0 | 117.5 | A260 | A260-N262 PolarHBondContact O-N 3.43Š|
| 263 | K | 30.3 | Very low | 28.4 | Very low | 191 Ų | 191 | 103.4 Ų | 103.4 | 83% | 0.83 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -113.8 | -8.5 | 174.3 | -78.5 | -167.6 | 175.5 | -176.9 | 0 | 115.8 | ||
| 264 | T | 28.1 | Very low | 28.5 | Very low | 80 Ų | 80 | 104.8 Ų | 104.8 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -86.3 | -24.3 | -177.8 | -53.5 | 0 | 0 | 0 | 0 | 113.1 | E266 G267 M268 | T264-E266 VanDerWaalsContact C-N 3.34Å; T264-E266 PolarHBondContact O-N 3.06Å; T264-G267 PolarHBondContact O-N 3.25Å; T264-M268 HydrophobicContact CG2-CE 3.37Å; T264-M268 HydrophobicContact CG2-CG 4.44Å; T264-M268 HydrophobicContact CG2-SD 4.04Å; T264-M268 PolarHBondContact O-N 3.46Å; T264-M268 VanDerWaalsContact O-N 3.12Å |
| 265 | V | 28.3 | Very low | 28.5 | Very low | 81 Ų | 81 | 103.6 Ų | 103.6 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.2 | -31.9 | -178.6 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | R269 | V265-R269 WeakPolarHBondContact O-CB 3.17Å; V265-R269 PolarHBondContact O-N 2.91Å |
| 266 | E | 30.4 | Very low | 28.4 | Very low | 154 Ų | 154 | 97.9 Ų | 97.9 | 72% | 0.72 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.8 | -35.9 | 176.2 | -77.8 | -172.8 | 157.8 | 0 | 0 | 112.6 | T264 R269 F270 | T264-E266 VanDerWaalsContact C-N 3.34Å; T264-E266 PolarHBondContact O-N 3.06Å; E266-R269 PolarHBondContact O-N 2.98Å; E266-F270 VanDerWaalsContact O-CB 3.32Å; E266-F270 WeakPolarHBondContact O-CB 3.16Å; E266-F270 PolarHBondContact O-N 2.88Å |
| 267 | G | 28.4 | Very low | 28.5 | Very low | 41 Ų | 41 | 100.1 Ų | 100.1 | 42% | 0.423 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.7 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T264 F270 V271 | T264-G267 PolarHBondContact O-N 3.25Å; G267-F270 PolarHBondContact O-N 3Å; G267-V271 WeakPolarHBondContact O-CG2 3.22Å; G267-V271 PolarHBondContact O-N 3.1Å |
| 268 | M | 27.1 | Very low | 28.5 | Very low | 101 Ų | 101 | 99.3 Ų | 99.3 | 50% | 0.498 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -75 | -32 | 176.1 | -70.5 | 173.5 | -174.7 | 0 | 0 | 112.7 | T264 F270 G272 | T264-M268 HydrophobicContact CG2-CE 3.37Å; T264-M268 HydrophobicContact CG2-CG 4.44Å; T264-M268 HydrophobicContact CG2-SD 4.04Å; T264-M268 PolarHBondContact O-N 3.46Å; T264-M268 VanDerWaalsContact O-N 3.12Å; M268-F270 VanDerWaalsContact C-N 3.33Å; M268-G272 PolarHBondContact O-N 3.2Å |
| 269 | R | 27.9 | Very low | 28.5 | Very low | 179 Ų | 179 | 95.6 Ų | 95.6 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -40 | 166.6 | -94.2 | -176.4 | 162.6 | 140.9 | -2.7 | 111.4 | V265 E266 E273 | V265-R269 WeakPolarHBondContact O-CB 3.17Å; V265-R269 PolarHBondContact O-N 2.91Å; E266-R269 PolarHBondContact O-N 2.98Å; R269-E273 WeakPolarHBondContact O-CB 3.3Å; R269-E273 WeakPolarHBondContact O-CG 3.49Å; R269-E273 PolarHBondContact O-N 2.73Å |
| 270 | F | 30.9 | Very low | 28.1 | Very low | 134 Ų | 134 | 90.2 Ų | 90.2 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 176.3 | -171 | -100.7 | 0 | 0 | 0 | 111.9 | E266 G267 M268 N274 | E266-F270 VanDerWaalsContact O-CB 3.32Å; E266-F270 WeakPolarHBondContact O-CB 3.16Å; E266-F270 PolarHBondContact O-N 2.88Å; G267-F270 PolarHBondContact O-N 3Å; M268-F270 VanDerWaalsContact C-N 3.33Å; F270-N274 VanDerWaalsContact CD1-ND2 3.31Å; F270-N274 WeakPolarHBondContact CD1-ND2 3.15Å; F270-N274 WeakPolarHBondContact CE1-ND2 3.14Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.29Å; F270-N274 WeakPolarHBondContact CG-ND2 3.41Å; F270-N274 WeakPolarHBondContact CZ-ND2 3.36Å; F270-N274 WeakPolarHBondContact O-CB 3.35Å; F270-N274 PolarHBondContact O-N 3.41Å; F270-N274 PolarHBondContact O-ND2 3.02Å |
| 271 | V | 28.2 | Very low | 28.2 | Very low | 75 Ų | 75 | 92.6 Ų | 92.6 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.8 | -39.8 | 176.7 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | G267 N274 V275 | G267-V271 WeakPolarHBondContact O-CG2 3.22Å; G267-V271 PolarHBondContact O-N 3.1Å; V271-N274 CarbonylContact O-C 3.52Å; V271-N274 PolarHBondContact O-N 3.07Å; V271-V275 HydrophobicContact CG1-CG2 4.12Å; V271-V275 VanDerWaalsContact O-CB 3.26Å; V271-V275 WeakPolarHBondContact O-CB 3.23Å; V271-V275 WeakPolarHBondContact O-CG2 3.43Å; V271-V275 PolarHBondContact O-N 3.45Å |
| 272 | G | 26.8 | Very low | 28.4 | Very low | 42 Ų | 42 | 94.6 Ų | 94.6 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M268 A276 | M268-G272 PolarHBondContact O-N 3.2Å; G272-A276 WeakPolarHBondContact O-CB 3.14Å; G272-A276 PolarHBondContact O-N 3.04Å |
| 273 | E | 29 | Very low | 28.3 | Very low | 133 Ų | 133 | 90 Ų | 90 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.6 | -39.1 | 170.3 | -84 | 178.8 | 158.1 | 0 | 0 | 111.2 | R269 H277 | R269-E273 WeakPolarHBondContact O-CB 3.3Å; R269-E273 WeakPolarHBondContact O-CG 3.49Å; R269-E273 PolarHBondContact O-N 2.73Å; E273-H277 WeakPolarHBondContact O-CA 3.39Å; E273-H277 WeakPolarHBondContact O-CB 3.41Å; E273-H277 PolarHBondContact O-N 2.97Å |
| 274 | N | 28.7 | Very low | 28.3 | Very low | 74 Ų | 74 | 85.6 Ų | 85.6 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.7 | -23.7 | 177.8 | -80.5 | -77.5 | 0 | 0 | 0 | 113.2 | F270 V271 G278 | F270-N274 VanDerWaalsContact CD1-ND2 3.31Å; F270-N274 WeakPolarHBondContact CD1-ND2 3.15Å; F270-N274 WeakPolarHBondContact CE1-ND2 3.14Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.29Å; F270-N274 WeakPolarHBondContact CG-ND2 3.41Å; F270-N274 WeakPolarHBondContact CZ-ND2 3.36Å; F270-N274 WeakPolarHBondContact O-CB 3.35Å; F270-N274 PolarHBondContact O-N 3.41Å; F270-N274 PolarHBondContact O-ND2 3.02Å; V271-N274 CarbonylContact O-C 3.52Å; V271-N274 PolarHBondContact O-N 3.07Å; N274-G278 WeakPolarHBondContact O-CA 2.94Å; N274-G278 PolarHBondContact O-N 3.42Å |
| 275 | V | 27.8 | Very low | 28.3 | Very low | 60 Ų | 60 | 83.4 Ų | 83.4 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -84.9 | -36.2 | 172.7 | 172.3 | 0 | 0 | 0 | 0 | 111 | V271 H277 G278 A279 | V271-V275 HydrophobicContact CG1-CG2 4.12Å; V271-V275 VanDerWaalsContact O-CB 3.26Å; V271-V275 WeakPolarHBondContact O-CB 3.23Å; V271-V275 WeakPolarHBondContact O-CG2 3.43Å; V271-V275 PolarHBondContact O-N 3.45Å; V275-H277 VanDerWaalsContact C-N 3.35Å; V275-G278 PolarHBondContact O-N 2.88Å; V275-A279 VanDerWaalsContact O-CB 3.23Å; V275-A279 WeakPolarHBondContact O-CB 2.95Å; V275-A279 PolarHBondContact O-N 3.37Å |
| 276 | A | 28 | Very low | 28.3 | Very low | 67 Ų | 67 | 82.3 Ų | 82.3 | 55% | 0.554 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.3 | -31.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | G272 G280 | G272-A276 WeakPolarHBondContact O-CB 3.14Å; G272-A276 PolarHBondContact O-N 3.04Å; A276-G280 WeakPolarHBondContact O-CA 2.73Å; A276-G280 PolarHBondContact O-N 2.95Å |
| 277 | H | 29.7 | Very low | 28.2 | Very low | 106 Ų | 106 | 81.2 Ų | 81.2 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76.6 | -31.5 | 170.3 | -169.1 | 75.2 | 0 | 0 | 0 | 110.4 | E273 V275 G280 K281 | E273-H277 WeakPolarHBondContact O-CA 3.39Å; E273-H277 WeakPolarHBondContact O-CB 3.41Å; E273-H277 PolarHBondContact O-N 2.97Å; V275-H277 VanDerWaalsContact C-N 3.35Å; H277-G280 CarbonylContact O-C 3.14Å; H277-G280 PolarHBondContact O-N 2.96Å; H277-K281 VanDerWaalsContact CD2-CE 3.45Å; H277-K281 WeakPolarHBondContact CD2-CE 3.34Å; H277-K281 WeakPolarHBondContact NE2-CE 3.47Å; H277-K281 WeakPolarHBondContact O-CA 3.32Å; H277-K281 VanDerWaalsContact O-CB 3.23Å; H277-K281 WeakPolarHBondContact O-CB 3.39Å; H277-K281 WeakPolarHBondContact O-CG 3.2Å; H277-K281 PolarHBondContact O-N 3.17Å |
| 278 | G | 25.4 | Very low | 28.3 | Very low | 28 Ų | 28 | 81.3 Ų | 81.3 | 29% | 0.289 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.1 | -45.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N274 V275 G280 K281 V282 | N274-G278 WeakPolarHBondContact O-CA 2.94Å; N274-G278 PolarHBondContact O-N 3.42Å; V275-G278 PolarHBondContact O-N 2.88Å; G278-G280 VanDerWaalsContact C-N 3.29Å; G278-K281 CarbonylContact O-C 3.41Å; G278-K281 PolarHBondContact O-N 2.89Å; G278-K281 VanDerWaalsContact O-N 3.14Å; G278-V282 WeakPolarHBondContact O-CB 3.24Å; G278-V282 VanDerWaalsContact O-CG2 3.24Å; G278-V282 WeakPolarHBondContact O-CG2 3.27Å; G278-V282 PolarHBondContact O-N 3.38Å |
| 279 | A | 27.1 | Very low | 28.3 | Very low | 57 Ų | 57 | 79.2 Ų | 79.2 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V275 V282 A283 | V275-A279 VanDerWaalsContact O-CB 3.23Å; V275-A279 WeakPolarHBondContact O-CB 2.95Å; V275-A279 PolarHBondContact O-N 3.37Å; A279-V282 PolarHBondContact O-N 3.5Å; A279-A283 WeakPolarHBondContact O-CB 3.45Å; A279-A283 PolarHBondContact O-N 2.94Å |
| 280 | G | 26.7 | Very low | 28.3 | Very low | 24 Ų | 24 | 72.5 Ų | 72.5 | 25% | 0.247 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | A276 H277 G278 A283 D284 | A276-G280 WeakPolarHBondContact O-CA 2.73Å; A276-G280 PolarHBondContact O-N 2.95Å; H277-G280 CarbonylContact O-C 3.14Å; H277-G280 PolarHBondContact O-N 2.96Å; G278-G280 VanDerWaalsContact C-N 3.29Å; G280-A283 CarbonylContact O-C 3.34Å; G280-A283 PolarHBondContact O-N 3.02Å; G280-D284 WeakPolarHBondContact O-CA 3.17Å; G280-D284 WeakPolarHBondContact O-CB 3.28Å; G280-D284 PolarHBondContact O-N 3.01Å; G280-D284 VanDerWaalsContact O-OD2 3.06Å |
| 281 | K | 29.2 | Very low | 28.3 | Very low | 127 Ų | 127 | 69.8 Ų | 69.8 | 55% | 0.552 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -75.7 | -23.7 | 176.8 | -67.8 | -120.6 | -170.9 | 170 | 0 | 113.1 | H277 G278 G285 | H277-K281 VanDerWaalsContact CD2-CE 3.45Å; H277-K281 WeakPolarHBondContact CD2-CE 3.34Å; H277-K281 WeakPolarHBondContact NE2-CE 3.47Å; H277-K281 WeakPolarHBondContact O-CA 3.32Å; H277-K281 VanDerWaalsContact O-CB 3.23Å; H277-K281 WeakPolarHBondContact O-CB 3.39Å; H277-K281 WeakPolarHBondContact O-CG 3.2Å; H277-K281 PolarHBondContact O-N 3.17Å; G278-K281 CarbonylContact O-C 3.41Å; G278-K281 PolarHBondContact O-N 2.89Å; G278-K281 VanDerWaalsContact O-N 3.14Å; K281-G285 WeakPolarHBondContact O-CA 3.32Å; K281-G285 PolarHBondContact O-N 3.29Å |
| 282 | V | 27.6 | Very low | 28.3 | Very low | 76 Ų | 76 | 70.6 Ų | 70.6 | 46% | 0.461 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -82.3 | -35.7 | 172.1 | 170.4 | 0 | 0 | 0 | 0 | 110.1 | G278 A279 G285 A286 | G278-V282 WeakPolarHBondContact O-CB 3.24Å; G278-V282 VanDerWaalsContact O-CG2 3.24Å; G278-V282 WeakPolarHBondContact O-CG2 3.27Å; G278-V282 PolarHBondContact O-N 3.38Å; A279-V282 PolarHBondContact O-N 3.5Å; V282-G285 CarbonylContact O-C 3.58Å; V282-G285 PolarHBondContact O-N 2.88Å; V282-A286 WeakPolarHBondContact O-CB 3.43Å; V282-A286 PolarHBondContact O-N 2.89Å |
| 283 | A | 28.2 | Very low | 28.4 | Very low | 60 Ų | 60 | 74.3 Ų | 74.3 | 50% | 0.496 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.2 | -39.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A279 G280 G285 A286 K287 | A279-A283 WeakPolarHBondContact O-CB 3.45Å; A279-A283 PolarHBondContact O-N 2.94Å; G280-A283 CarbonylContact O-C 3.34Å; G280-A283 PolarHBondContact O-N 3.02Å; A283-G285 VanDerWaalsContact C-N 3.25Å; A283-A286 PolarHBondContact O-N 3.44Å; A283-K287 WeakPolarHBondContact O-CB 3.42Å; A283-K287 PolarHBondContact O-N 2.93Å |
| 284 | D | 31.3 | Very low | 28.4 | Very low | 98 Ų | 98 | 71.7 Ų | 71.7 | 52% | 0.524 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.4 | -21.4 | 170.7 | -68.2 | -29.7 | 0 | 0 | 0 | 110.7 | G280 A288 | G280-D284 WeakPolarHBondContact O-CA 3.17Å; G280-D284 WeakPolarHBondContact O-CB 3.28Å; G280-D284 PolarHBondContact O-N 3.01Å; G280-D284 VanDerWaalsContact O-OD2 3.06Å; D284-A288 WeakPolarHBondContact O-CA 3.37Å; D284-A288 WeakPolarHBondContact O-CB 3.37Å; D284-A288 PolarHBondContact O-N 3.38Å |
| 285 | G | 27.5 | Very low | 28.4 | Very low | 34 Ų | 34 | 72.3 Ų | 72.3 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -80.5 | -34.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | K281 V282 A283 A288 A289 | K281-G285 WeakPolarHBondContact O-CA 3.32Å; K281-G285 PolarHBondContact O-N 3.29Å; V282-G285 CarbonylContact O-C 3.58Å; V282-G285 PolarHBondContact O-N 2.88Å; A283-G285 VanDerWaalsContact C-N 3.25Å; G285-A288 CarbonylContact O-C 3.53Å; G285-A289 VanDerWaalsContact O-CB 3.25Å; G285-A289 WeakPolarHBondContact O-CB 3.09Å; G285-A289 PolarHBondContact O-N 3.2Å |
| 286 | A | 28.6 | Very low | 28.4 | Very low | 58 Ų | 58 | 71.4 Ų | 71.4 | 48% | 0.479 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74.8 | -35.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V282 A283 A289 G290 | V282-A286 WeakPolarHBondContact O-CB 3.43Å; V282-A286 PolarHBondContact O-N 2.89Å; A283-A286 PolarHBondContact O-N 3.44Å; A286-A289 PolarHBondContact O-N 2.71Å; A286-G290 PolarHBondContact O-N 3.37Å |
| 287 | K | 28.8 | Very low | 28.3 | Very low | 132 Ų | 132 | 70.8 Ų | 70.8 | 57% | 0.574 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.7 | -36.4 | 169.3 | -165 | -179 | 179.7 | -173.7 | 0 | 111 | A283 G290 D291 | A283-K287 WeakPolarHBondContact O-CB 3.42Å; A283-K287 PolarHBondContact O-N 2.93Å; K287-G290 CarbonylContact O-C 3.42Å; K287-G290 PolarHBondContact O-N 3.3Å; K287-D291 WeakPolarHBondContact O-CA 3.5Å; K287-D291 WeakPolarHBondContact O-CB 3.3Å; K287-D291 PolarHBondContact O-N 3.01Å |
| 288 | A | 29.6 | Very low | 28.1 | Very low | 43 Ų | 43 | 70.8 Ų | 70.8 | 36% | 0.355 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.9 | -35.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D284 G285 D291 T292 | D284-A288 WeakPolarHBondContact O-CA 3.37Å; D284-A288 WeakPolarHBondContact O-CB 3.37Å; D284-A288 PolarHBondContact O-N 3.38Å; G285-A288 CarbonylContact O-C 3.53Å; A288-D291 CarbonylContact O-C 3.59Å; A288-D291 PolarHBondContact O-N 3.1Å; A288-T292 WeakPolarHBondContact O-CA 3.42Å; A288-T292 WeakPolarHBondContact O-CB 3.46Å; A288-T292 PolarHBondContact O-N 2.8Å; A288-T292 PolarHBondContact O-OG1 3.13Å |
| 289 | A | 28.3 | Very low | 28.3 | Very low | 57 Ų | 57 | 72 Ų | 72 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | G285 A286 T292 V293 | G285-A289 VanDerWaalsContact O-CB 3.25Å; G285-A289 WeakPolarHBondContact O-CB 3.09Å; G285-A289 PolarHBondContact O-N 3.2Å; A286-A289 PolarHBondContact O-N 2.71Å; A289-T292 PolarHBondContact O-N 2.77Å; A289-V293 VanDerWaalsContact O-CG2 3.32Å; A289-V293 WeakPolarHBondContact O-CG2 3.33Å; A289-V293 PolarHBondContact O-N 3.37Å |
| 290 | G | 27.7 | Very low | 28.3 | Very low | 37 Ų | 37 | 73.5 Ų | 73.5 | 38% | 0.381 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | A286 K287 T292 V293 V294 | A286-G290 PolarHBondContact O-N 3.37Å; K287-G290 CarbonylContact O-C 3.42Å; K287-G290 PolarHBondContact O-N 3.3Å; G290-T292 VanDerWaalsContact C-N 3.31Å; G290-T292 PolarHBondContact O-N 2.71Å; G290-V293 PolarHBondContact O-N 2.86Å; G290-V294 WeakPolarHBondContact O-CG2 3.39Å; G290-V294 PolarHBondContact O-N 3.39Å |
| 291 | D | 29.3 | Very low | 28.3 | Very low | 78 Ų | 78 | 75.3 Ų | 75.3 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.6 | -19.1 | 176.3 | -71.3 | -25.4 | 0 | 0 | 0 | 111.3 | K287 A288 V294 E295 | K287-D291 WeakPolarHBondContact O-CA 3.5Å; K287-D291 WeakPolarHBondContact O-CB 3.3Å; K287-D291 PolarHBondContact O-N 3.01Å; A288-D291 CarbonylContact O-C 3.59Å; A288-D291 PolarHBondContact O-N 3.1Å; D291-V294 CarbonylContact O-C 3.43Å; D291-E295 VanDerWaalsContact O-CA 3.28Å; D291-E295 WeakPolarHBondContact O-CA 3.32Å; D291-E295 WeakPolarHBondContact O-CB 3.2Å; D291-E295 WeakPolarHBondContact O-CG 3.31Å; D291-E295 PolarHBondContact O-N 2.78Å |
| 292 | T | 29.1 | Very low | 28.2 | Very low | 92 Ų | 92 | 73.6 Ų | 73.6 | 56% | 0.564 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -89 | -23.7 | 172.6 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | A288 A289 G290 V294 G296 | A288-T292 WeakPolarHBondContact O-CA 3.42Å; A288-T292 WeakPolarHBondContact O-CB 3.46Å; A288-T292 PolarHBondContact O-N 2.8Å; A288-T292 PolarHBondContact O-OG1 3.13Å; A289-T292 PolarHBondContact O-N 2.77Å; G290-T292 VanDerWaalsContact C-N 3.31Å; G290-T292 PolarHBondContact O-N 2.71Å; T292-V294 VanDerWaalsContact C-N 3.32Å; T292-G296 WeakPolarHBondContact O-CA 3.29Å; T292-G296 PolarHBondContact O-N 2.87Å |
| 293 | V | 28.5 | Very low | 28.3 | Very low | 119 Ų | 119 | 79.6 Ų | 79.6 | 72% | 0.721 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.6 | -34.2 | 161.9 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | A289 G290 G297 | A289-V293 VanDerWaalsContact O-CG2 3.32Å; A289-V293 WeakPolarHBondContact O-CG2 3.33Å; A289-V293 PolarHBondContact O-N 3.37Å; G290-V293 PolarHBondContact O-N 2.86Å; V293-G297 PolarHBondContact O-N 3.22Å |
| 294 | V | 29.7 | Very low | 28.2 | Very low | 79 Ų | 79 | 82.5 Ų | 82.5 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -77.9 | -36.5 | 171.4 | 172.4 | 0 | 0 | 0 | 0 | 112.6 | G290 D291 T292 G297 K298 | G290-V294 WeakPolarHBondContact O-CG2 3.39Å; G290-V294 PolarHBondContact O-N 3.39Å; D291-V294 CarbonylContact O-C 3.43Å; T292-V294 VanDerWaalsContact C-N 3.32Å; V294-G297 CarbonylContact O-C 3.57Å; V294-G297 VanDerWaalsContact O-CA 3.31Å; V294-G297 WeakPolarHBondContact O-CA 3.05Å; V294-G297 PolarHBondContact O-N 2.94Å; V294-K298 WeakPolarHBondContact O-CG 3.32Å; V294-K298 PolarHBondContact O-N 3.33Å |
| 295 | E | 28.2 | Very low | 28 | Very low | 86 Ų | 86 | 79.2 Ų | 79.2 | 40% | 0.402 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -86.7 | -16.5 | 179.8 | -71.5 | -94.5 | 135.9 | 0 | 0 | 111.7 | D291 K298 A299 | D291-E295 VanDerWaalsContact O-CA 3.28Å; D291-E295 WeakPolarHBondContact O-CA 3.32Å; D291-E295 WeakPolarHBondContact O-CB 3.2Å; D291-E295 WeakPolarHBondContact O-CG 3.31Å; D291-E295 PolarHBondContact O-N 2.78Å; E295-K298 HydrophobicContact CG-CD 4.35Å; E295-K298 CarbonylContact O-C 3.58Å; E295-K298 PolarHBondContact O-N 3.01Å; E295-K298 WeakPolarHBondContact OE1-CD 2.82Å; E295-K298 IonicContact OE1-NZ 3.45Å; E295-K298 PolarHBondContact OE1-NZ 2.97Å; E295-A299 WeakPolarHBondContact O-CA 3.02Å; E295-A299 WeakPolarHBondContact O-CB 2.98Å; E295-A299 PolarHBondContact O-N 3.4Å |
| 296 | G | 27.1 | Very low | 28.1 | Very low | 42 Ų | 42 | 81.2 Ų | 81.2 | 43% | 0.433 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.6 | -36.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110 | T292 K298 A300 | T292-G296 WeakPolarHBondContact O-CA 3.29Å; T292-G296 PolarHBondContact O-N 2.87Å; G296-K298 VanDerWaalsContact C-N 3.28Å; G296-K298 PolarHBondContact O-N 3.1Å; G296-A300 WeakPolarHBondContact O-CB 3.14Å; G296-A300 PolarHBondContact O-N 2.97Å |
| 297 | G | 26.6 | Very low | 28.1 | Very low | 54 Ų | 54 | 82.6 Ų | 82.6 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -29.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V293 V294 | V293-G297 PolarHBondContact O-N 3.22Å; V294-G297 CarbonylContact O-C 3.57Å; V294-G297 VanDerWaalsContact O-CA 3.31Å; V294-G297 WeakPolarHBondContact O-CA 3.05Å; V294-G297 PolarHBondContact O-N 2.94Å |
| 298 | K | 25.9 | Very low | 28 | Very low | 106 Ų | 106 | 80.5 Ų | 80.5 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -97.7 | -22.3 | 175.8 | -67.1 | 168.5 | 165.5 | -177.8 | 0 | 115.9 | V294 E295 G296 A301 E302 | V294-K298 WeakPolarHBondContact O-CG 3.32Å; V294-K298 PolarHBondContact O-N 3.33Å; E295-K298 HydrophobicContact CG-CD 4.35Å; E295-K298 CarbonylContact O-C 3.58Å; E295-K298 PolarHBondContact O-N 3.01Å; E295-K298 WeakPolarHBondContact OE1-CD 2.82Å; E295-K298 IonicContact OE1-NZ 3.45Å; E295-K298 PolarHBondContact OE1-NZ 2.97Å; G296-K298 VanDerWaalsContact C-N 3.28Å; G296-K298 PolarHBondContact O-N 3.1Å; K298-A301 VanDerWaalsContact C-N 3.29Å; K298-A301 CarbonylContact O-C 3.53Å; K298-A301 WeakPolarHBondContact O-CA 3.5Å; K298-A301 WeakPolarHBondContact O-CB 3.46Å; K298-A301 PolarHBondContact O-N 3.4Å; K298-E302 PolarHBondContact O-N 3.2Å |
| 299 | A | 28.5 | Very low | 27.9 | Very low | 54 Ų | 54 | 81 Ų | 81 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -83.6 | -22.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E295 A301 E302 K303 | E295-A299 WeakPolarHBondContact O-CA 3.02Å; E295-A299 WeakPolarHBondContact O-CB 2.98Å; E295-A299 PolarHBondContact O-N 3.4Å; A299-A301 PolarHBondContact O-N 3.41Å; A299-E302 PolarHBondContact O-N 2.88Å; A299-K303 PolarHBondContact O-N 3.17Å |
| 300 | A | 28.3 | Very low | 27.9 | Very low | 87 Ų | 87 | 88.3 Ų | 88.3 | 72% | 0.719 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.7 | -23.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G296 | G296-A300 WeakPolarHBondContact O-CB 3.14Å; G296-A300 PolarHBondContact O-N 2.97Å |
| 301 | A | 26.9 | Very low | 27.7 | Very low | 62 Ų | 62 | 91.3 Ų | 91.3 | 51% | 0.512 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -97.3 | -16.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | K298 A299 | K298-A301 VanDerWaalsContact C-N 3.29Å; K298-A301 CarbonylContact O-C 3.53Å; K298-A301 WeakPolarHBondContact O-CA 3.5Å; K298-A301 WeakPolarHBondContact O-CB 3.46Å; K298-A301 PolarHBondContact O-N 3.4Å; A299-A301 PolarHBondContact O-N 3.41Å |
| 302 | E | 26.5 | Very low | 27.4 | Very low | 91 Ų | 91 | 88.1 Ų | 88.1 | 43% | 0.425 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -129 | 17.5 | -173.7 | -106.6 | -162.7 | 153.2 | 0 | 0 | 116.3 | K298 A299 T304 E305 | K298-E302 PolarHBondContact O-N 3.2Å; A299-E302 PolarHBondContact O-N 2.88Å; E302-T304 PolarHBondContact O-N 3.3Å; E302-E305 HydrophobicContact CG-CB 3.69Å |
| 303 | K | 28.8 | Very low | 27.3 | Very low | 203 Ų | 203 | 92.5 Ų | 92.5 | 88% | 0.883 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 0.4 | 143.5 | -127.5 | 178.7 | -170.3 | 170.5 | 0 | 111.7 | A299 | A299-K303 PolarHBondContact O-N 3.17Š|
| 304 | T | 26.6 | Very low | 27.4 | Very low | 121 Ų | 121 | 89.6 Ų | 89.6 | 74% | 0.742 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -20.1 | -175.8 | -55 | 0 | 0 | 0 | 0 | 114.7 | E302 | E302-T304 PolarHBondContact O-N 3.3Š|
| 305 | E | 26.6 | Very low | 27.3 | Very low | 28 Ų | 28 | 92 Ų | 92 | 13% | 0.131 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -33.6 | -164.3 | -150.1 | 167.7 | 164.3 | 0 | 0 | 118.8 | E302 A340 G341 | E302-E305 HydrophobicContact CG-CB 3.69Å; E305-A340 HydrophobicContact CG-CB 4.29Å; E305-A340 WeakPolarHBondContact OE1-CB 3.42Å; E305-G341 PolarHBondContact OE1-N 2.75Å |
| 306 | S | 31.6 | Very low | 27 | Very low | 76 Ų | 76 | 91.5 Ų | 91.5 | 53% | 0.531 | 56% | 0.556 | S | S | . | * | trans | -120.5 | 38.8 | -164.1 | -78.7 | 0 | 0 | 0 | 0 | 117.5 | I308 | S306-I308 PolarHBondContact O-N 3.01Š| ||
| 307 | G | 27.6 | Very low | 27.3 | Very low | 88 Ų | 88 | 98.9 Ų | 98.9 | 91% | 0.907 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -67.5 | -0.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 308 | I | 27.3 | Very low | 27.1 | Very low | 87 Ų | 87 | 99.8 Ų | 99.8 | 45% | 0.446 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -102.1 | -22 | -166.3 | -62.4 | -178.1 | 0 | 0 | 0 | 112.5 | S306 V333 | S306-I308 PolarHBondContact O-N 3.01Å; I308-V333 HydrophobicContact CG2-CB 3.95Å; I308-V333 HydrophobicContact CG2-CG1 3.97Å; I308-V333 HydrophobicContact CG2-CG2 3.64Å; I308-V333 WeakPolarHBondContact O-CG1 3.18Å; I308-V333 WeakPolarHBondContact O-CG2 3.18Å |
| 309 | A | 25.8 | Very low | 27.1 | Very low | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -93.9 | -11.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | V311 G312 V333 | A309-V311 PolarHBondContact O-N 3.02Å; A309-V311 VanDerWaalsContact O-N 3.15Å; A309-G312 PolarHBondContact O-N 3.46Å; A309-V333 HydrophobicContact CB-CG1 4.12Å |
| 310 | F | 28.4 | Very low | 27.2 | Very low | 212 Ų | 212 | 100.4 Ų | 100.4 | 93% | 0.93 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -72 | -7 | -176.3 | -168.8 | -103 | 0 | 0 | 0 | 115.2 | ||
| 311 | V | 25.1 | Very low | 27.3 | Very low | 99 Ų | 99 | 101.7 Ų | 101.7 | 60% | 0.6 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -94.4 | -16.5 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | A309 A329 | A309-V311 PolarHBondContact O-N 3.02Å; A309-V311 VanDerWaalsContact O-N 3.15Å; V311-A329 HydrophobicContact CG1-CB 3.86Å |
| 312 | G | 22.6 | Very low | 27.5 | Very low | 12 Ų | 12 | 102.7 Ų | 102.7 | 12% | 0.124 | 63% | 0.629 | C | S | . | * | S | Bend | trans | -84.3 | -33.3 | -159.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | A309 G330 | A309-G312 PolarHBondContact O-N 3.46Å; G312-G330 VanDerWaalsContact CA-CA 3.41Å |
| 313 | Q | 27.6 | Very low | 27.5 | Very low | 184 Ų | 184 | 101.8 Ų | 101.8 | 86% | 0.86 | 64% | 0.638 | S | S | * | * | trans | -141.1 | 91.6 | -175.5 | -118.2 | 170.9 | 9.4 | 0 | 0 | 111.9 | ||||
| 314 | K | 29.3 | Very low | 27.6 | Very low | 57 Ų | 57 | 95.1 Ų | 95.1 | 25% | 0.248 | 63% | 0.626 | C | S | . | * | 62.4 | 115.9 | 76.8 | -74.8 | -92.5 | 177 | -177.1 | 0 | 111 | A316 V322 A326 | K314-A316 HydrophobicContact CB-CB 4.4Å; K314-A316 PolarHBondContact O-N 2.69Å; K314-V322 WeakPolarHBondContact CE-O 3.3Å; K314-V322 VanDerWaalsContact NZ-CB 3.28Å; K314-V322 VanDerWaalsContact NZ-CG1 3.32Å; K314-V322 PolarHBondContact NZ-O 2.96Å; K314-A326 HydrophobicContact CD-CB 3.63Å; K314-A326 HydrophobicContact CG-CB 3.28Å | |||
| 315 | I | 27.6 | Very low | 27.7 | Very low | 131 Ų | 131 | 92.1 Ų | 92.1 | 67% | 0.672 | 62% | 0.62 | S | S | * | * | 37.3 | 57 | 57.4 | -46.1 | 177 | 0 | 0 | 0 | 110.4 | |||||
| 316 | A | 22.8 | Very low | 27.7 | Very low | 75 Ų | 75 | 91.7 Ų | 91.7 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | trans | -133.6 | 113.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | K314 | K314-A316 HydrophobicContact CB-CB 4.4Å; K314-A316 PolarHBondContact O-N 2.69Å | ||
| 317 | E | 32 | Very low | 27.5 | Very low | 197 Ų | 197 | 96.3 Ų | 96.3 | 92% | 0.921 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 86.3 | 101 | -170.5 | -55.4 | 176.1 | -172.4 | 0 | 0 | 112.5 | ||
| 318 | G | 23.7 | Very low | 27.8 | Very low | 72 Ų | 72 | 95.6 Ų | 95.6 | 74% | 0.742 | 62% | 0.617 | S | S | * | * | S | Bend | cis | -81.5 | 156.6 | 22.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 319 | A | 25 | Very low | 27.8 | Very low | 112 Ų | 112 | 93.1 Ų | 93.1 | 93% | 0.926 | 61% | 0.609 | S | S | * | * | trans | -59.6 | 154.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 320 | G | 31.1 | Very low | 27.9 | Very low | 61 Ų | 61 | 91 Ų | 91 | 63% | 0.629 | 59% | 0.592 | S | S | * | * | S | Bend | trans | 125.7 | 111.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V322 | G320-V322 VanDerWaalsContact C-N 3.34Å; G320-V322 PolarHBondContact O-N 2.89Å |
| 321 | A | 29.7 | Very low | 27.9 | Very low | 114 Ų | 114 | 82 Ų | 82 | 94% | 0.942 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 62.8 | -15.8 | 160 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||
| 322 | V | 32 | Very low | 28.2 | Very low | 83 Ų | 83 | 80.7 Ų | 80.7 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | trans | -94.3 | -6.3 | -177.8 | -168.7 | 0 | 0 | 0 | 0 | 112.7 | K314 G320 G324 | K314-V322 WeakPolarHBondContact CE-O 3.3Å; K314-V322 VanDerWaalsContact NZ-CB 3.28Å; K314-V322 VanDerWaalsContact NZ-CG1 3.32Å; K314-V322 PolarHBondContact NZ-O 2.96Å; G320-V322 VanDerWaalsContact C-N 3.34Å; G320-V322 PolarHBondContact O-N 2.89Å; V322-G324 PolarHBondContact O-N 3.31Å | ||
| 323 | A | 26.6 | Very low | 28.5 | Very low | 72 Ų | 72 | 81 Ų | 81 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -11.8 | -161.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 324 | G | 30.4 | Very low | 28.6 | Very low | 63 Ų | 63 | 76.7 Ų | 76.7 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -37.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V322 | V322-G324 PolarHBondContact O-N 3.31Š|
| 325 | G | 27.9 | Very low | 28.8 | Very low | 58 Ų | 58 | 79.5 Ų | 79.5 | 60% | 0.598 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -79.4 | -42.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K327 A328 A329 | G325-K327 VanDerWaalsContact C-N 3.31Å; G325-K327 PolarHBondContact O-N 2.83Å; G325-A328 PolarHBondContact O-N 3.2Å; G325-A329 PolarHBondContact O-N 2.86Å |
| 326 | A | 27 | Very low | 28.8 | Very low | 19 Ų | 19 | 74.9 Ų | 74.9 | 16% | 0.157 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -75.9 | -19 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K314 A328 G330 | K314-A326 HydrophobicContact CD-CB 3.63Å; K314-A326 HydrophobicContact CG-CB 3.28Å; A326-A328 VanDerWaalsContact C-N 3.31Å; A326-G330 WeakPolarHBondContact O-CA 3.25Å; A326-G330 PolarHBondContact O-N 3.23Å |
| 327 | K | 28.8 | Very low | 29.1 | Very low | 173 Ų | 173 | 73.4 Ų | 73.4 | 75% | 0.752 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.9 | -26.6 | 176 | -145.7 | 176.1 | -173.8 | -176.3 | 0 | 111.9 | G325 G331 | G325-K327 VanDerWaalsContact C-N 3.31Å; G325-K327 PolarHBondContact O-N 2.83Å; K327-G331 PolarHBondContact O-N 2.85Å |
| 328 | A | 32.9 | Very low | 29 | Very low | 73 Ų | 73 | 67 Ų | 67 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -81.1 | -39 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G325 A326 A332 | G325-A328 PolarHBondContact O-N 3.2Å; A326-A328 VanDerWaalsContact C-N 3.31Å; A328-A332 PolarHBondContact O-N 3.37Å; A328-A332 VanDerWaalsContact O-N 3.17Å |
| 329 | A | 28.2 | Very low | 29.3 | Very low | 35 Ų | 35 | 66.5 Ų | 66.5 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.6 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V311 G325 G331 A332 V333 | V311-A329 HydrophobicContact CG1-CB 3.86Å; G325-A329 PolarHBondContact O-N 2.86Å; A329-G331 VanDerWaalsContact C-N 3.29Å; A329-G331 PolarHBondContact O-N 2.86Å; A329-A332 PolarHBondContact O-N 3.46Å; A329-V333 VanDerWaalsContact O-CB 3.29Å; A329-V333 WeakPolarHBondContact O-CB 3.4Å; A329-V333 WeakPolarHBondContact O-CG2 3.31Å; A329-V333 PolarHBondContact O-N 3.32Å; A329-V333 VanDerWaalsContact O-N 3.12Å |
| 330 | G | 28 | Very low | 29.5 | Very low | 8 Ų | 8 | 62.8 Ų | 62.8 | 8% | 0.082 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.3 | -30.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | G312 A326 V334 | G312-G330 VanDerWaalsContact CA-CA 3.41Å; A326-G330 WeakPolarHBondContact O-CA 3.25Å; A326-G330 PolarHBondContact O-N 3.23Å; G330-V334 WeakPolarHBondContact O-CB 3.36Å; G330-V334 WeakPolarHBondContact O-CG2 3.33Å; G330-V334 PolarHBondContact O-N 2.82Å |
| 331 | G | 28 | Very low | 29.4 | Very low | 24 Ų | 24 | 61.1 Ų | 61.1 | 25% | 0.247 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.5 | -50.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K327 A329 V333 V334 D335 | K327-G331 PolarHBondContact O-N 2.85Å; A329-G331 VanDerWaalsContact C-N 3.29Å; A329-G331 PolarHBondContact O-N 2.86Å; G331-V333 VanDerWaalsContact C-N 3.28Å; G331-V333 PolarHBondContact O-N 3.27Å; G331-V334 PolarHBondContact O-N 2.81Å; G331-D335 WeakPolarHBondContact O-CA 3.24Å; G331-D335 WeakPolarHBondContact O-CB 3.38Å; G331-D335 PolarHBondContact O-N 3.17Å |
| 332 | A | 30.9 | Very low | 29.3 | Very low | 71 Ų | 71 | 57.6 Ų | 57.6 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.8 | -27.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A328 A329 G336 | A328-A332 PolarHBondContact O-N 3.37Å; A328-A332 VanDerWaalsContact O-N 3.17Å; A329-A332 PolarHBondContact O-N 3.46Å; A332-G336 WeakPolarHBondContact O-CA 3.39Å; A332-G336 PolarHBondContact O-N 3.36Å |
| 333 | V | 29.2 | Very low | 29.2 | Very low | 19 Ų | 19 | 56.7 Ų | 56.7 | 12% | 0.115 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -77.6 | -45 | 177.8 | 155.7 | 0 | 0 | 0 | 0 | 111.9 | I308 A309 A329 G331 G336 V337 | I308-V333 HydrophobicContact CG2-CB 3.95Å; I308-V333 HydrophobicContact CG2-CG1 3.97Å; I308-V333 HydrophobicContact CG2-CG2 3.64Å; I308-V333 WeakPolarHBondContact O-CG1 3.18Å; I308-V333 WeakPolarHBondContact O-CG2 3.18Å; A309-V333 HydrophobicContact CB-CG1 4.12Å; A329-V333 VanDerWaalsContact O-CB 3.29Å; A329-V333 WeakPolarHBondContact O-CB 3.4Å; A329-V333 WeakPolarHBondContact O-CG2 3.31Å; A329-V333 PolarHBondContact O-N 3.32Å; A329-V333 VanDerWaalsContact O-N 3.12Å; G331-V333 VanDerWaalsContact C-N 3.28Å; G331-V333 PolarHBondContact O-N 3.27Å; V333-G336 PolarHBondContact O-N 3.01Å; V333-V337 WeakPolarHBondContact O-CB 3.14Å; V333-V337 VanDerWaalsContact O-CG2 3.23Å; V333-V337 WeakPolarHBondContact O-CG2 3.42Å; V333-V337 PolarHBondContact O-N 3.32Å |
| 334 | V | 30.3 | Very low | 29.3 | Very low | 93 Ų | 93 | 57.5 Ų | 57.5 | 56% | 0.564 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -75.8 | -36.2 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | G330 G331 G336 A338 | G330-V334 WeakPolarHBondContact O-CB 3.36Å; G330-V334 WeakPolarHBondContact O-CG2 3.33Å; G330-V334 PolarHBondContact O-N 2.82Å; G331-V334 PolarHBondContact O-N 2.81Å; V334-G336 VanDerWaalsContact C-N 3.31Å; V334-A338 WeakPolarHBondContact O-CA 3.39Å; V334-A338 WeakPolarHBondContact O-CB 3.45Å; V334-A338 PolarHBondContact O-N 2.72Å |
| 335 | D | 32.1 | Very low | 29.3 | Very low | 117 Ų | 117 | 59.3 Ų | 59.3 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.5 | -29.3 | 170.7 | -69.6 | -26.9 | 0 | 0 | 0 | 111.3 | G331 A339 | G331-D335 WeakPolarHBondContact O-CA 3.24Å; G331-D335 WeakPolarHBondContact O-CB 3.38Å; G331-D335 PolarHBondContact O-N 3.17Å; D335-A339 WeakPolarHBondContact O-CA 3.36Å; D335-A339 WeakPolarHBondContact O-CB 3.3Å; D335-A339 PolarHBondContact O-N 2.77Å |
| 336 | G | 28.4 | Very low | 29.4 | Very low | 33 Ų | 33 | 58.1 Ų | 58.1 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.5 | -44 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A332 V333 V334 A339 A340 | A332-G336 WeakPolarHBondContact O-CA 3.39Å; A332-G336 PolarHBondContact O-N 3.36Å; V333-G336 PolarHBondContact O-N 3.01Å; V334-G336 VanDerWaalsContact C-N 3.31Å; G336-A339 CarbonylContact O-C 3.57Å; G336-A339 PolarHBondContact O-N 2.74Å; G336-A340 WeakPolarHBondContact O-CB 3.37Å; G336-A340 PolarHBondContact O-N 2.89Å |
| 337 | V | 28.2 | Very low | 29.5 | Very low | 45 Ų | 45 | 58.1 Ų | 58.1 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -76.6 | -27.7 | 175.9 | 172 | 0 | 0 | 0 | 0 | 111.8 | V333 G341 | V333-V337 WeakPolarHBondContact O-CB 3.14Å; V333-V337 VanDerWaalsContact O-CG2 3.23Å; V333-V337 WeakPolarHBondContact O-CG2 3.42Å; V333-V337 PolarHBondContact O-N 3.32Å; V337-G341 VanDerWaalsContact O-CA 3.32Å; V337-G341 WeakPolarHBondContact O-CA 3.34Å; V337-G341 PolarHBondContact O-N 3.21Å |
| 338 | A | 30.6 | Very low | 29.6 | Very low | 61 Ų | 61 | 53.1 Ų | 53.1 | 50% | 0.504 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -79.6 | -28.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V334 G342 | V334-A338 WeakPolarHBondContact O-CA 3.39Å; V334-A338 WeakPolarHBondContact O-CB 3.45Å; V334-A338 PolarHBondContact O-N 2.72Å; A338-G342 WeakPolarHBondContact O-CA 2.91Å; A338-G342 PolarHBondContact O-N 2.79Å |
| 339 | A | 30.5 | Very low | 29.4 | Very low | 62 Ų | 62 | 56.9 Ų | 56.9 | 51% | 0.512 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -76 | -30.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D335 G336 A343 | D335-A339 WeakPolarHBondContact O-CA 3.36Å; D335-A339 WeakPolarHBondContact O-CB 3.3Å; D335-A339 PolarHBondContact O-N 2.77Å; G336-A339 CarbonylContact O-C 3.57Å; G336-A339 PolarHBondContact O-N 2.74Å; A339-A343 WeakPolarHBondContact O-CA 3.22Å; A339-A343 WeakPolarHBondContact O-CB 2.93Å; A339-A343 PolarHBondContact O-N 3.49Å |
| 340 | A | 29.1 | Very low | 29.6 | Very low | 34 Ų | 34 | 58.2 Ų | 58.2 | 28% | 0.281 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -84.1 | -50.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E305 G336 G342 A343 V344 | E305-A340 HydrophobicContact CG-CB 4.29Å; E305-A340 WeakPolarHBondContact OE1-CB 3.42Å; G336-A340 WeakPolarHBondContact O-CB 3.37Å; G336-A340 PolarHBondContact O-N 2.89Å; A340-G342 VanDerWaalsContact C-N 3.27Å; A340-G342 PolarHBondContact O-N 3.29Å; A340-A343 CarbonylContact O-C 3.49Å; A340-A343 VanDerWaalsContact O-C 3.3Å; A340-A343 WeakPolarHBondContact O-CA 3.45Å; A340-A343 PolarHBondContact O-N 3.44Å; A340-V344 VanDerWaalsContact O-CB 3.24Å; A340-V344 WeakPolarHBondContact O-CB 3.34Å; A340-V344 WeakPolarHBondContact O-CG2 3.48Å; A340-V344 PolarHBondContact O-N 3.23Å |
| 341 | G | 28.3 | Very low | 29.7 | Very low | 26 Ų | 26 | 61.8 Ų | 61.8 | 27% | 0.268 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.5 | -34 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E305 V337 V344 V345 | E305-G341 PolarHBondContact OE1-N 2.75Å; V337-G341 VanDerWaalsContact O-CA 3.32Å; V337-G341 WeakPolarHBondContact O-CA 3.34Å; V337-G341 PolarHBondContact O-N 3.21Å; G341-V344 PolarHBondContact O-N 3Å; G341-V345 VanDerWaalsContact O-CB 3.26Å; G341-V345 WeakPolarHBondContact O-CB 2.81Å; G341-V345 WeakPolarHBondContact O-CG2 3.33Å; G341-V345 PolarHBondContact O-N 3.15Å |
| 342 | G | 28.4 | Very low | 29.8 | Very low | 41 Ų | 41 | 62.3 Ų | 62.3 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -76.7 | -23.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A338 A340 G346 | A338-G342 WeakPolarHBondContact O-CA 2.91Å; A338-G342 PolarHBondContact O-N 2.79Å; A340-G342 VanDerWaalsContact C-N 3.27Å; A340-G342 PolarHBondContact O-N 3.29Å; G342-G346 WeakPolarHBondContact O-CA 3.19Å; G342-G346 PolarHBondContact O-N 3.41Å |
| 343 | A | 29.4 | Very low | 29.7 | Very low | 63 Ų | 63 | 61.5 Ų | 61.5 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -92.2 | -8.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A339 A340 G347 | A339-A343 WeakPolarHBondContact O-CA 3.22Å; A339-A343 WeakPolarHBondContact O-CB 2.93Å; A339-A343 PolarHBondContact O-N 3.49Å; A340-A343 CarbonylContact O-C 3.49Å; A340-A343 VanDerWaalsContact O-C 3.3Å; A340-A343 WeakPolarHBondContact O-CA 3.45Å; A340-A343 PolarHBondContact O-N 3.44Å; A343-G347 VanDerWaalsContact C-N 3.25Å; A343-G347 WeakPolarHBondContact O-CA 3.36Å; A343-G347 PolarHBondContact O-N 3.06Å |
| 344 | V | 28.8 | Very low | 29.6 | Very low | 89 Ų | 89 | 62.3 Ų | 62.3 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -97.5 | -37.2 | 173.4 | 168.3 | 0 | 0 | 0 | 0 | 109.6 | A340 G341 A348 | A340-V344 VanDerWaalsContact O-CB 3.24Å; A340-V344 WeakPolarHBondContact O-CB 3.34Å; A340-V344 WeakPolarHBondContact O-CG2 3.48Å; A340-V344 PolarHBondContact O-N 3.23Å; G341-V344 PolarHBondContact O-N 3Å; V344-A348 WeakPolarHBondContact O-CA 3.27Å; V344-A348 WeakPolarHBondContact O-CB 3.03Å; V344-A348 PolarHBondContact O-N 3.49Å |
| 345 | V | 30.6 | Very low | 29.6 | Very low | 102 Ų | 102 | 63.2 Ų | 63.2 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -79.4 | -43 | 165.3 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | G341 G347 K349 | G341-V345 VanDerWaalsContact O-CB 3.26Å; G341-V345 WeakPolarHBondContact O-CB 2.81Å; G341-V345 WeakPolarHBondContact O-CG2 3.33Å; G341-V345 PolarHBondContact O-N 3.15Å; V345-G347 VanDerWaalsContact C-N 3.33Å; V345-K349 WeakPolarHBondContact O-CA 3.25Å; V345-K349 WeakPolarHBondContact O-CB 3.48Å; V345-K349 PolarHBondContact O-N 3.07Å |
| 346 | G | 30.2 | Very low | 29.6 | Very low | 33 Ų | 33 | 60.3 Ų | 60.3 | 34% | 0.34 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.7 | -25.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G342 K349 A350 | G342-G346 WeakPolarHBondContact O-CA 3.19Å; G342-G346 PolarHBondContact O-N 3.41Å; G346-K349 CarbonylContact O-C 3.44Å; G346-A350 WeakPolarHBondContact O-CA 3.09Å; G346-A350 WeakPolarHBondContact O-CB 3.37Å; G346-A350 PolarHBondContact O-N 3.41Å |
| 347 | G | 28.8 | Very low | 29.8 | Very low | 19 Ų | 19 | 63.4 Ų | 63.4 | 20% | 0.196 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -85.5 | -34.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A343 V345 K349 A350 V351 | A343-G347 VanDerWaalsContact C-N 3.25Å; A343-G347 WeakPolarHBondContact O-CA 3.36Å; A343-G347 PolarHBondContact O-N 3.06Å; V345-G347 VanDerWaalsContact C-N 3.33Å; G347-K349 PolarHBondContact O-N 3.01Å; G347-A350 CarbonylContact O-C 3.59Å; G347-A350 PolarHBondContact O-N 3.07Å; G347-V351 VanDerWaalsContact O-CA 3.23Å; G347-V351 WeakPolarHBondContact O-CA 3.36Å; G347-V351 WeakPolarHBondContact O-CB 3.4Å; G347-V351 WeakPolarHBondContact O-CG2 3.44Å; G347-V351 PolarHBondContact O-N 2.83Å |
| 348 | A | 30.1 | Very low | 29.7 | Very low | 68 Ų | 68 | 62.3 Ų | 62.3 | 56% | 0.562 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.9 | -22.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V344 G352 | V344-A348 WeakPolarHBondContact O-CA 3.27Å; V344-A348 WeakPolarHBondContact O-CB 3.03Å; V344-A348 PolarHBondContact O-N 3.49Å; A348-G352 WeakPolarHBondContact O-CA 3.22Å; A348-G352 PolarHBondContact O-N 3.26Å |
| 349 | K | 30.3 | Very low | 29.7 | Very low | 151 Ų | 151 | 62.3 Ų | 62.3 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -92.7 | -16.2 | 171.4 | -160.1 | 176.6 | -172.6 | -176.9 | 0 | 113 | V345 G346 G347 S353 | V345-K349 WeakPolarHBondContact O-CA 3.25Å; V345-K349 WeakPolarHBondContact O-CB 3.48Å; V345-K349 PolarHBondContact O-N 3.07Å; G346-K349 CarbonylContact O-C 3.44Å; G347-K349 PolarHBondContact O-N 3.01Å; K349-S353 VanDerWaalsContact O-CA 3.31Å; K349-S353 WeakPolarHBondContact O-CA 3.26Å; K349-S353 WeakPolarHBondContact O-CB 3.49Å; K349-S353 PolarHBondContact O-N 3.48Å; K349-S353 PolarHBondContact O-OG 3.15Å |
| 350 | A | 30.5 | Very low | 29.6 | Very low | 63 Ų | 63 | 65.5 Ų | 65.5 | 52% | 0.521 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -104.4 | -14.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G346 G347 G354 | G346-A350 WeakPolarHBondContact O-CA 3.09Å; G346-A350 WeakPolarHBondContact O-CB 3.37Å; G346-A350 PolarHBondContact O-N 3.41Å; G347-A350 CarbonylContact O-C 3.59Å; G347-A350 PolarHBondContact O-N 3.07Å; A350-G354 VanDerWaalsContact C-N 3.31Å; A350-G354 WeakPolarHBondContact O-CA 3.47Å; A350-G354 PolarHBondContact O-N 2.9Å |
| 351 | V | 30.3 | Very low | 29.7 | Very low | 83 Ų | 83 | 70.1 Ų | 70.1 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -34.1 | 159.6 | 175.2 | 0 | 0 | 0 | 0 | 107 | G347 I355 | G347-V351 VanDerWaalsContact O-CA 3.23Å; G347-V351 WeakPolarHBondContact O-CA 3.36Å; G347-V351 WeakPolarHBondContact O-CB 3.4Å; G347-V351 WeakPolarHBondContact O-CG2 3.44Å; G347-V351 PolarHBondContact O-N 2.83Å; V351-I355 HydrophobicContact CG1-CD1 3.34Å; V351-I355 HydrophobicContact CG1-CG1 3.79Å; V351-I355 VanDerWaalsContact O-CA 3.26Å; V351-I355 WeakPolarHBondContact O-CA 3.23Å; V351-I355 WeakPolarHBondContact O-CB 3.35Å; V351-I355 WeakPolarHBondContact O-CD1 3.44Å; V351-I355 WeakPolarHBondContact O-CG1 3.45Å; V351-I355 PolarHBondContact O-N 2.84Å |
| 352 | G | 30 | Very low | 29.7 | Very low | 36 Ų | 36 | 73 Ų | 73 | 37% | 0.371 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.1 | -49.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A348 A356 | A348-G352 WeakPolarHBondContact O-CA 3.22Å; A348-G352 PolarHBondContact O-N 3.26Å; G352-A356 WeakPolarHBondContact O-CB 3.49Å; G352-A356 PolarHBondContact O-N 3.29Å |
| 353 | S | 29.2 | Very low | 29.7 | Very low | 54 Ų | 54 | 72.6 Ų | 72.6 | 38% | 0.378 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -78.9 | -14.8 | 173.1 | -51.5 | 0 | 0 | 0 | 0 | 113 | K349 D357 | K349-S353 VanDerWaalsContact O-CA 3.31Å; K349-S353 WeakPolarHBondContact O-CA 3.26Å; K349-S353 WeakPolarHBondContact O-CB 3.49Å; K349-S353 PolarHBondContact O-N 3.48Å; K349-S353 PolarHBondContact O-OG 3.15Å; S353-D357 VanDerWaalsContact O-CA 3.27Å; S353-D357 WeakPolarHBondContact O-CA 3.38Å; S353-D357 WeakPolarHBondContact O-CB 3.36Å; S353-D357 PolarHBondContact O-N 2.8Å; S353-D357 VanDerWaalsContact O-OD2 3.09Å |
| 354 | G | 28.7 | Very low | 29.7 | Very low | 35 Ų | 35 | 75.6 Ų | 75.6 | 36% | 0.361 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -103.5 | -10.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | A350 G358 | A350-G354 VanDerWaalsContact C-N 3.31Å; A350-G354 WeakPolarHBondContact O-CA 3.47Å; A350-G354 PolarHBondContact O-N 2.9Å; G354-G358 WeakPolarHBondContact O-CA 3.42Å; G354-G358 PolarHBondContact O-N 3.46Å |
| 355 | I | 30 | Very low | 29.7 | Very low | 113 Ų | 113 | 75 Ų | 75 | 58% | 0.579 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -85.1 | -28.2 | 153.9 | -66.5 | 167.6 | 0 | 0 | 0 | 107.9 | V351 A359 | V351-I355 HydrophobicContact CG1-CD1 3.34Å; V351-I355 HydrophobicContact CG1-CG1 3.79Å; V351-I355 VanDerWaalsContact O-CA 3.26Å; V351-I355 WeakPolarHBondContact O-CA 3.23Å; V351-I355 WeakPolarHBondContact O-CB 3.35Å; V351-I355 WeakPolarHBondContact O-CD1 3.44Å; V351-I355 WeakPolarHBondContact O-CG1 3.45Å; V351-I355 PolarHBondContact O-N 2.84Å; I355-A359 VanDerWaalsContact O-CA 3.27Å; I355-A359 WeakPolarHBondContact O-CA 3.32Å; I355-A359 WeakPolarHBondContact O-CB 3.46Å; I355-A359 PolarHBondContact O-N 3.39Å |
| 356 | A | 31.2 | Very low | 29.6 | Very low | 55 Ų | 55 | 74.2 Ų | 74.2 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -78.8 | -45.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G352 A359 K360 | G352-A356 WeakPolarHBondContact O-CB 3.49Å; G352-A356 PolarHBondContact O-N 3.29Å; A356-A359 CarbonylContact O-C 3.46Å; A356-K360 WeakPolarHBondContact O-CB 3.17Å; A356-K360 PolarHBondContact O-N 2.92Å |
| 357 | D | 31.9 | Very low | 29.5 | Very low | 99 Ų | 99 | 75.9 Ų | 75.9 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.3 | -25.5 | 171.1 | -67.3 | -27.8 | 0 | 0 | 0 | 111 | S353 K360 F361 | S353-D357 VanDerWaalsContact O-CA 3.27Å; S353-D357 WeakPolarHBondContact O-CA 3.38Å; S353-D357 WeakPolarHBondContact O-CB 3.36Å; S353-D357 PolarHBondContact O-N 2.8Å; S353-D357 VanDerWaalsContact O-OD2 3.09Å; D357-K360 CarbonylContact O-C 3.3Å; D357-F361 WeakPolarHBondContact O-CA 3.08Å; D357-F361 WeakPolarHBondContact O-CB 3.12Å; D357-F361 PolarHBondContact O-N 3.06Å |
| 358 | G | 28.1 | Very low | 29.6 | Very low | 21 Ų | 21 | 83.8 Ų | 83.8 | 22% | 0.216 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -84.5 | -22.8 | 169 | 0 | 0 | 0 | 0 | 0 | 113.5 | G354 V362 | G354-G358 WeakPolarHBondContact O-CA 3.42Å; G354-G358 PolarHBondContact O-N 3.46Å; G358-V362 VanDerWaalsContact O-CA 3.27Å; G358-V362 WeakPolarHBondContact O-CA 3.07Å; G358-V362 WeakPolarHBondContact O-CB 3.11Å; G358-V362 WeakPolarHBondContact O-CG2 3.37Å; G358-V362 PolarHBondContact O-N 3.06Å |
| 359 | A | 29.4 | Very low | 29.4 | Very low | 61 Ų | 61 | 81.8 Ų | 81.8 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -87.2 | -13.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I355 A356 G363 | I355-A359 VanDerWaalsContact O-CA 3.27Å; I355-A359 WeakPolarHBondContact O-CA 3.32Å; I355-A359 WeakPolarHBondContact O-CB 3.46Å; I355-A359 PolarHBondContact O-N 3.39Å; A356-A359 CarbonylContact O-C 3.46Å; A359-G363 WeakPolarHBondContact O-CA 3.38Å; A359-G363 PolarHBondContact O-N 2.77Å |
| 360 | K | 29.2 | Very low | 29.3 | Very low | 129 Ų | 129 | 77 Ų | 77 | 56% | 0.561 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -83.8 | -29.6 | 161 | -111.5 | 177.5 | 175.8 | 176.8 | 0 | 112 | A356 D357 G363 E364 | A356-K360 WeakPolarHBondContact O-CB 3.17Å; A356-K360 PolarHBondContact O-N 2.92Å; D357-K360 CarbonylContact O-C 3.3Å; K360-G363 CarbonylContact O-C 3.59Å; K360-E364 WeakPolarHBondContact O-CA 3.3Å; K360-E364 WeakPolarHBondContact O-CB 3.45Å; K360-E364 WeakPolarHBondContact O-CG 3.39Å; K360-E364 PolarHBondContact O-N 2.92Å |
| 361 | F | 29.6 | Very low | 29.2 | Very low | 131 Ų | 131 | 75.9 Ų | 75.9 | 58% | 0.575 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -90.4 | -38.7 | 177.2 | 178.5 | -89.9 | 0 | 0 | 0 | 110.2 | D357 G363 N365 | D357-F361 WeakPolarHBondContact O-CA 3.08Å; D357-F361 WeakPolarHBondContact O-CB 3.12Å; D357-F361 PolarHBondContact O-N 3.06Å; F361-G363 VanDerWaalsContact C-N 3.29Å; F361-N365 VanDerWaalsContact CD1-ND2 3.32Å; F361-N365 WeakPolarHBondContact CD1-ND2 3.5Å; F361-N365 WeakPolarHBondContact CD2-ND2 3.13Å; F361-N365 VanDerWaalsContact CE1-ND2 3.29Å; F361-N365 WeakPolarHBondContact CE1-ND2 3.49Å; F361-N365 WeakPolarHBondContact CE2-ND2 3.48Å; F361-N365 VanDerWaalsContact CG-ND2 3.28Å; F361-N365 WeakPolarHBondContact CG-ND2 3.26Å; F361-N365 WeakPolarHBondContact CZ-ND2 3.4Å; F361-N365 VanDerWaalsContact O-CA 3.29Å; F361-N365 WeakPolarHBondContact O-CA 3.28Å; F361-N365 WeakPolarHBondContact O-CB 3.26Å; F361-N365 VanDerWaalsContact O-CG 3.29Å; F361-N365 PolarHBondContact O-N 2.78Å; F361-N365 PolarHBondContact O-ND2 3.3Å |
| 362 | V | 29.6 | Very low | 29.2 | Very low | 87 Ų | 87 | 74.7 Ų | 74.7 | 53% | 0.527 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.4 | -29.8 | 160.1 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | G358 V366 | G358-V362 VanDerWaalsContact O-CA 3.27Å; G358-V362 WeakPolarHBondContact O-CA 3.07Å; G358-V362 WeakPolarHBondContact O-CB 3.11Å; G358-V362 WeakPolarHBondContact O-CG2 3.37Å; G358-V362 PolarHBondContact O-N 3.06Å; V362-V366 HydrophobicContact CG1-CB 4.48Å; V362-V366 HydrophobicContact CG1-CG2 3.47Å; V362-V366 VanDerWaalsContact CG1-CG2 3.47Å; V362-V366 WeakPolarHBondContact O-CA 3.43Å; V362-V366 WeakPolarHBondContact O-CB 3.18Å; V362-V366 WeakPolarHBondContact O-CG2 3.32Å; V362-V366 PolarHBondContact O-N 2.73Å |
| 363 | G | 28.5 | Very low | 29.2 | Very low | 33 Ų | 33 | 77.8 Ų | 77.8 | 34% | 0.34 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.8 | -38.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | A359 K360 F361 A367 | A359-G363 WeakPolarHBondContact O-CA 3.38Å; A359-G363 PolarHBondContact O-N 2.77Å; K360-G363 CarbonylContact O-C 3.59Å; F361-G363 VanDerWaalsContact C-N 3.29Å; G363-A367 WeakPolarHBondContact O-CA 3.29Å; G363-A367 WeakPolarHBondContact O-CB 3.03Å; G363-A367 PolarHBondContact O-N 2.73Å |
| 364 | E | 29 | Very low | 29.2 | Very low | 126 Ų | 126 | 78 Ų | 78 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -83.6 | -28.9 | 176.7 | -77.6 | 170.7 | 166 | 0 | 0 | 111.4 | K360 A367 Y368 | K360-E364 WeakPolarHBondContact O-CA 3.3Å; K360-E364 WeakPolarHBondContact O-CB 3.45Å; K360-E364 WeakPolarHBondContact O-CG 3.39Å; K360-E364 PolarHBondContact O-N 2.92Å; E364-A367 CarbonylContact O-C 3.59Å; E364-Y368 WeakPolarHBondContact O-CA 3.37Å; E364-Y368 WeakPolarHBondContact O-CB 3.1Å; E364-Y368 PolarHBondContact O-N 3.33Å |
| 365 | N | 29 | Very low | 29.3 | Very low | 75 Ų | 75 | 78.1 Ų | 78.1 | 40% | 0.401 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -91.5 | -16.9 | 171.6 | -71.2 | -89.1 | 0 | 0 | 0 | 113 | F361 G369 | F361-N365 VanDerWaalsContact CD1-ND2 3.32Å; F361-N365 WeakPolarHBondContact CD1-ND2 3.5Å; F361-N365 WeakPolarHBondContact CD2-ND2 3.13Å; F361-N365 VanDerWaalsContact CE1-ND2 3.29Å; F361-N365 WeakPolarHBondContact CE1-ND2 3.49Å; F361-N365 WeakPolarHBondContact CE2-ND2 3.48Å; F361-N365 VanDerWaalsContact CG-ND2 3.28Å; F361-N365 WeakPolarHBondContact CG-ND2 3.26Å; F361-N365 WeakPolarHBondContact CZ-ND2 3.4Å; F361-N365 VanDerWaalsContact O-CA 3.29Å; F361-N365 WeakPolarHBondContact O-CA 3.28Å; F361-N365 WeakPolarHBondContact O-CB 3.26Å; F361-N365 VanDerWaalsContact O-CG 3.29Å; F361-N365 PolarHBondContact O-N 2.78Å; F361-N365 PolarHBondContact O-ND2 3.3Å; N365-G369 WeakPolarHBondContact O-CA 3.13Å; N365-G369 PolarHBondContact O-N 3.36Å |
| 366 | V | 28.3 | Very low | 29.3 | Very low | 87 Ų | 87 | 74.2 Ų | 74.2 | 53% | 0.527 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -86.7 | -19.1 | 159.3 | 177.7 | 0 | 0 | 0 | 0 | 109 | V362 A370 | V362-V366 HydrophobicContact CG1-CB 4.48Å; V362-V366 HydrophobicContact CG1-CG2 3.47Å; V362-V366 VanDerWaalsContact CG1-CG2 3.47Å; V362-V366 WeakPolarHBondContact O-CA 3.43Å; V362-V366 WeakPolarHBondContact O-CB 3.18Å; V362-V366 WeakPolarHBondContact O-CG2 3.32Å; V362-V366 PolarHBondContact O-N 2.73Å; V366-A370 HydrophobicContact CG1-CB 4.45Å; V366-A370 WeakPolarHBondContact O-CA 3.35Å; V366-A370 WeakPolarHBondContact O-CB 3.39Å; V366-A370 PolarHBondContact O-N 3.49Å |
| 367 | A | 29 | Very low | 29.1 | Very low | 67 Ų | 67 | 74.4 Ų | 74.4 | 55% | 0.554 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -85.1 | -32.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G363 E364 G371 | G363-A367 WeakPolarHBondContact O-CA 3.29Å; G363-A367 WeakPolarHBondContact O-CB 3.03Å; G363-A367 PolarHBondContact O-N 2.73Å; E364-A367 CarbonylContact O-C 3.59Å; A367-G371 VanDerWaalsContact O-CA 3.23Å; A367-G371 WeakPolarHBondContact O-CA 3.45Å; A367-G371 PolarHBondContact O-N 2.84Å |
| 368 | Y | 29.4 | Very low | 29 | Very low | 185 Ų | 185 | 78.1 Ų | 78.1 | 73% | 0.725 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -84.6 | -32.1 | 173 | -162 | -85.6 | 0 | 0 | 0 | 110.7 | E364 G371 A372 | E364-Y368 WeakPolarHBondContact O-CA 3.37Å; E364-Y368 WeakPolarHBondContact O-CB 3.1Å; E364-Y368 PolarHBondContact O-N 3.33Å; Y368-G371 CarbonylContact O-C 3.56Å; Y368-G371 PolarHBondContact O-N 2.85Å; Y368-A372 WeakPolarHBondContact O-CB 2.96Å; Y368-A372 PolarHBondContact O-N 3.43Å |
| 369 | G | 27.3 | Very low | 29.2 | Very low | 26 Ų | 26 | 80.2 Ų | 80.2 | 27% | 0.268 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -85.5 | -31.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N365 G371 A372 V373 | N365-G369 WeakPolarHBondContact O-CA 3.13Å; N365-G369 PolarHBondContact O-N 3.36Å; G369-G371 VanDerWaalsContact C-N 3.26Å; G369-A372 CarbonylContact O-C 3.59Å; G369-A372 PolarHBondContact O-N 2.89Å; G369-V373 WeakPolarHBondContact O-CA 3.42Å; G369-V373 WeakPolarHBondContact O-CB 3.36Å; G369-V373 WeakPolarHBondContact O-CG2 3.48Å; G369-V373 PolarHBondContact O-N 2.81Å |
| 370 | A | 27.9 | Very low | 29.2 | Very low | 50 Ų | 50 | 79.7 Ų | 79.7 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -77.2 | -12.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V366 A374 | V366-A370 HydrophobicContact CG1-CB 4.45Å; V366-A370 WeakPolarHBondContact O-CA 3.35Å; V366-A370 WeakPolarHBondContact O-CB 3.39Å; V366-A370 PolarHBondContact O-N 3.49Å; A370-A374 VanDerWaalsContact O-CA 3.29Å; A370-A374 WeakPolarHBondContact O-CA 3.23Å; A370-A374 WeakPolarHBondContact O-CB 3.22Å; A370-A374 PolarHBondContact O-N 3.47Å |
| 371 | G | 27.9 | Very low | 29.2 | Very low | 41 Ų | 41 | 75 Ų | 75 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -79.1 | -32.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A367 Y368 G369 G375 | A367-G371 VanDerWaalsContact O-CA 3.23Å; A367-G371 WeakPolarHBondContact O-CA 3.45Å; A367-G371 PolarHBondContact O-N 2.84Å; Y368-G371 CarbonylContact O-C 3.56Å; Y368-G371 PolarHBondContact O-N 2.85Å; G369-G371 VanDerWaalsContact C-N 3.26Å; G371-G375 VanDerWaalsContact O-CA 3.31Å; G371-G375 WeakPolarHBondContact O-CA 3.32Å; G371-G375 PolarHBondContact O-N 3.32Å |
| 372 | A | 30.8 | Very low | 29.2 | Very low | 58 Ų | 58 | 69.9 Ų | 69.9 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -91.2 | -20.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y368 G369 G376 | Y368-A372 WeakPolarHBondContact O-CB 2.96Å; Y368-A372 PolarHBondContact O-N 3.43Å; G369-A372 CarbonylContact O-C 3.59Å; G369-A372 PolarHBondContact O-N 2.89Å; A372-G376 WeakPolarHBondContact O-CA 3.38Å; A372-G376 PolarHBondContact O-N 2.71Å |
| 373 | V | 28.4 | Very low | 29.3 | Very low | 101 Ų | 101 | 68.7 Ų | 68.7 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -91.2 | -26.4 | 166.9 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | G369 A377 | G369-V373 WeakPolarHBondContact O-CA 3.42Å; G369-V373 WeakPolarHBondContact O-CB 3.36Å; G369-V373 WeakPolarHBondContact O-CG2 3.48Å; G369-V373 PolarHBondContact O-N 2.81Å; V373-A377 VanDerWaalsContact O-CA 3.25Å; V373-A377 WeakPolarHBondContact O-CA 3.28Å; V373-A377 WeakPolarHBondContact O-CB 3.38Å; V373-A377 PolarHBondContact O-N 2.78Å |
| 374 | A | 30.1 | Very low | 29.4 | Very low | 58 Ų | 58 | 72 Ų | 72 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -78 | -37.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A370 K378 | A370-A374 VanDerWaalsContact O-CA 3.29Å; A370-A374 WeakPolarHBondContact O-CA 3.23Å; A370-A374 WeakPolarHBondContact O-CB 3.22Å; A370-A374 PolarHBondContact O-N 3.47Å; A374-K378 WeakPolarHBondContact O-CA 3.25Å; A374-K378 WeakPolarHBondContact O-CB 3.46Å; A374-K378 PolarHBondContact O-N 3.29Å |
| 375 | G | 30.6 | Very low | 29.5 | Very low | 38 Ų | 38 | 70.6 Ų | 70.6 | 39% | 0.392 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | G371 K378 A379 | G371-G375 VanDerWaalsContact O-CA 3.31Å; G371-G375 WeakPolarHBondContact O-CA 3.32Å; G371-G375 PolarHBondContact O-N 3.32Å; G375-K378 CarbonylContact O-C 3.54Å; G375-K378 PolarHBondContact O-N 3.49Å; G375-A379 WeakPolarHBondContact O-CB 3.44Å; G375-A379 PolarHBondContact O-N 2.98Å |
| 376 | G | 29.5 | Very low | 29.8 | Very low | 31 Ų | 31 | 72.4 Ų | 72.4 | 32% | 0.32 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -80.2 | -27.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A372 A380 | A372-G376 WeakPolarHBondContact O-CA 3.38Å; A372-G376 PolarHBondContact O-N 2.71Å; G376-A380 WeakPolarHBondContact O-CA 3.28Å; G376-A380 WeakPolarHBondContact O-CB 3.48Å; G376-A380 PolarHBondContact O-N 2.78Å |
| 377 | A | 27.9 | Very low | 29.9 | Very low | 58 Ų | 58 | 70 Ų | 70 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -86.3 | -13 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V373 G381 | V373-A377 VanDerWaalsContact O-CA 3.25Å; V373-A377 WeakPolarHBondContact O-CA 3.28Å; V373-A377 WeakPolarHBondContact O-CB 3.38Å; V373-A377 PolarHBondContact O-N 2.78Å; A377-G381 WeakPolarHBondContact O-CA 3.36Å; A377-G381 PolarHBondContact O-N 3.35Å |
| 378 | K | 29.6 | Very low | 30 | Very low | 177 Ų | 177 | 69.7 Ų | 69.7 | 77% | 0.77 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -85.9 | -26.3 | 165 | -162.2 | 178.1 | -157.4 | -175.4 | 0 | 111.3 | A374 G375 G382 | A374-K378 WeakPolarHBondContact O-CA 3.25Å; A374-K378 WeakPolarHBondContact O-CB 3.46Å; A374-K378 PolarHBondContact O-N 3.29Å; G375-K378 CarbonylContact O-C 3.54Å; G375-K378 PolarHBondContact O-N 3.49Å; K378-G382 WeakPolarHBondContact O-CA 3.3Å; K378-G382 PolarHBondContact O-N 2.8Å |
| 379 | A | 32.3 | Very low | 30.1 | Very low | 65 Ų | 65 | 63.8 Ų | 63.8 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -85.1 | -38.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G375 G382 A383 | G375-A379 WeakPolarHBondContact O-CB 3.44Å; G375-A379 PolarHBondContact O-N 2.98Å; A379-G382 CarbonylContact O-C 3.6Å; A379-A383 VanDerWaalsContact O-CB 3.27Å; A379-A383 WeakPolarHBondContact O-CB 3.19Å; A379-A383 PolarHBondContact O-N 3.43Å |
| 380 | A | 30.2 | Very low | 30.4 | Very low | 51 Ų | 51 | 65.6 Ų | 65.6 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -80.9 | -34.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G376 G382 A383 V384 | G376-A380 WeakPolarHBondContact O-CA 3.28Å; G376-A380 WeakPolarHBondContact O-CB 3.48Å; G376-A380 PolarHBondContact O-N 2.78Å; A380-G382 VanDerWaalsContact C-N 3.32Å; A380-A383 CarbonylContact O-C 3.58Å; A380-A383 PolarHBondContact O-N 3.38Å; A380-V384 WeakPolarHBondContact O-CA 3.29Å; A380-V384 WeakPolarHBondContact O-CB 3.46Å; A380-V384 WeakPolarHBondContact O-CG2 3.24Å; A380-V384 PolarHBondContact O-N 3.4Å |
| 381 | G | 27.5 | Very low | 30.6 | Very low | 30 Ų | 30 | 65.8 Ų | 65.8 | 31% | 0.309 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A377 V385 | A377-G381 WeakPolarHBondContact O-CA 3.36Å; A377-G381 PolarHBondContact O-N 3.35Å; G381-V385 WeakPolarHBondContact O-CB 3.29Å; G381-V385 WeakPolarHBondContact O-CG2 3.41Å; G381-V385 PolarHBondContact O-N 3.37Å |
| 382 | G | 30.4 | Very low | 30.6 | Very low | 24 Ų | 24 | 65.2 Ų | 65.2 | 25% | 0.247 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K378 A379 A380 V385 D386 | K378-G382 WeakPolarHBondContact O-CA 3.3Å; K378-G382 PolarHBondContact O-N 2.8Å; A379-G382 CarbonylContact O-C 3.6Å; A380-G382 VanDerWaalsContact C-N 3.32Å; G382-V385 PolarHBondContact O-N 3.07Å; G382-D386 WeakPolarHBondContact O-CB 3.25Å; G382-D386 PolarHBondContact O-N 3.34Å |
| 383 | A | 31.8 | Very low | 30.6 | Very low | 62 Ų | 62 | 63.7 Ų | 63.7 | 51% | 0.512 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.9 | -26.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | A379 A380 G387 | A379-A383 VanDerWaalsContact O-CB 3.27Å; A379-A383 WeakPolarHBondContact O-CB 3.19Å; A379-A383 PolarHBondContact O-N 3.43Å; A380-A383 CarbonylContact O-C 3.58Å; A380-A383 PolarHBondContact O-N 3.38Å; A383-G387 VanDerWaalsContact O-CA 3.26Å; A383-G387 WeakPolarHBondContact O-CA 3.26Å; A383-G387 PolarHBondContact O-N 2.97Å |
| 384 | V | 29.8 | Very low | 31 | Very low | 101 Ų | 101 | 61.9 Ų | 61.9 | 61% | 0.612 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -79.7 | -33.3 | 172.1 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | A380 A388 | A380-V384 WeakPolarHBondContact O-CA 3.29Å; A380-V384 WeakPolarHBondContact O-CB 3.46Å; A380-V384 WeakPolarHBondContact O-CG2 3.24Å; A380-V384 PolarHBondContact O-N 3.4Å; V384-A388 WeakPolarHBondContact O-CA 3.17Å; V384-A388 WeakPolarHBondContact O-CB 3.27Å; V384-A388 PolarHBondContact O-N 3.39Å |
| 385 | V | 31.9 | Very low | 31 | Very low | 97 Ų | 97 | 64.1 Ų | 64.1 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -76.1 | -39.5 | 172.5 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | G381 G382 A389 | G381-V385 WeakPolarHBondContact O-CB 3.29Å; G381-V385 WeakPolarHBondContact O-CG2 3.41Å; G381-V385 PolarHBondContact O-N 3.37Å; G382-V385 PolarHBondContact O-N 3.07Å; V385-A389 WeakPolarHBondContact O-CA 3.2Å; V385-A389 WeakPolarHBondContact O-CB 3.34Å; V385-A389 PolarHBondContact O-N 2.69Å |
| 386 | D | 34.7 | Very low | 31.2 | Very low | 114 Ų | 114 | 65.9 Ų | 65.9 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.2 | -36.3 | 172.9 | -70.5 | -25.9 | 0 | 0 | 0 | 110.8 | G382 A389 A390 | G382-D386 WeakPolarHBondContact O-CB 3.25Å; G382-D386 PolarHBondContact O-N 3.34Å; D386-A389 PolarHBondContact O-N 2.9Å; D386-A390 WeakPolarHBondContact O-CB 3.23Å; D386-A390 PolarHBondContact O-N 3.16Å |
| 387 | G | 31.7 | Very low | 31.8 | Very low | 37 Ų | 37 | 69.1 Ų | 69.1 | 38% | 0.381 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.4 | -37.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | A383 A391 | A383-G387 VanDerWaalsContact O-CA 3.26Å; A383-G387 WeakPolarHBondContact O-CA 3.26Å; A383-G387 PolarHBondContact O-N 2.97Å; G387-A391 WeakPolarHBondContact O-CB 3.3Å; G387-A391 PolarHBondContact O-N 2.76Å |
| 388 | A | 29.7 | Very low | 32 | Very low | 59 Ų | 59 | 67.9 Ų | 67.9 | 49% | 0.488 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.6 | -26.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V384 G392 | V384-A388 WeakPolarHBondContact O-CA 3.17Å; V384-A388 WeakPolarHBondContact O-CB 3.27Å; V384-A388 PolarHBondContact O-N 3.39Å; A388-G392 VanDerWaalsContact O-CA 3.28Å; A388-G392 WeakPolarHBondContact O-CA 3.13Å; A388-G392 PolarHBondContact O-N 2.92Å |
| 389 | A | 31.3 | Very low | 32 | Very low | 62 Ų | 62 | 62.4 Ų | 62.4 | 51% | 0.512 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -77.8 | -30.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V385 D386 G393 | V385-A389 WeakPolarHBondContact O-CA 3.2Å; V385-A389 WeakPolarHBondContact O-CB 3.34Å; V385-A389 PolarHBondContact O-N 2.69Å; D386-A389 PolarHBondContact O-N 2.9Å; A389-G393 VanDerWaalsContact O-CA 3.3Å; A389-G393 WeakPolarHBondContact O-CA 3.29Å; A389-G393 PolarHBondContact O-N 3.48Å |
| 390 | A | 34.9 | Very low | 32.1 | Very low | 64 Ų | 64 | 65.9 Ų | 65.9 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -77.3 | -38.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D386 A394 | D386-A390 WeakPolarHBondContact O-CB 3.23Å; D386-A390 PolarHBondContact O-N 3.16Å; A390-A394 WeakPolarHBondContact O-CB 3.16Å; A390-A394 PolarHBondContact O-N 2.77Å |
| 391 | A | 31.1 | Very low | 32.6 | Very low | 53 Ų | 53 | 66.4 Ų | 66.4 | 44% | 0.438 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.5 | -41.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | G387 G393 A394 V395 | G387-A391 WeakPolarHBondContact O-CB 3.3Å; G387-A391 PolarHBondContact O-N 2.76Å; A391-G393 VanDerWaalsContact C-N 3.35Å; A391-A394 PolarHBondContact O-N 2.88Å; A391-V395 VanDerWaalsContact O-CB 3.3Å; A391-V395 WeakPolarHBondContact O-CB 3.33Å; A391-V395 WeakPolarHBondContact O-CG2 3.19Å; A391-V395 PolarHBondContact O-N 3.49Å |
| 392 | G | 28.2 | Very low | 32.9 | Very low | 30 Ų | 30 | 69.5 Ų | 69.5 | 31% | 0.309 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A388 V395 V396 | A388-G392 VanDerWaalsContact O-CA 3.28Å; A388-G392 WeakPolarHBondContact O-CA 3.13Å; A388-G392 PolarHBondContact O-N 2.92Å; G392-V395 PolarHBondContact O-N 2.74Å; G392-V396 VanDerWaalsContact O-CB 3.27Å; G392-V396 WeakPolarHBondContact O-CB 3.34Å; G392-V396 WeakPolarHBondContact O-CG2 3.4Å; G392-V396 PolarHBondContact O-N 2.83Å |
| 393 | G | 31.8 | Very low | 32.9 | Very low | 25 Ų | 25 | 70.2 Ų | 70.2 | 26% | 0.258 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A389 A391 V396 D397 | A389-G393 VanDerWaalsContact O-CA 3.3Å; A389-G393 WeakPolarHBondContact O-CA 3.29Å; A389-G393 PolarHBondContact O-N 3.48Å; A391-G393 VanDerWaalsContact C-N 3.35Å; G393-V396 CarbonylContact O-C 3.58Å; G393-V396 PolarHBondContact O-N 3.33Å; G393-D397 WeakPolarHBondContact O-CB 3.25Å; G393-D397 VanDerWaalsContact O-CG 3.23Å; G393-D397 PolarHBondContact O-N 3.17Å |
| 394 | A | 35.3 | Very low | 33.2 | Very low | 64 Ų | 64 | 68.4 Ų | 68.4 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.2 | -31.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A390 A391 G398 | A390-A394 WeakPolarHBondContact O-CB 3.16Å; A390-A394 PolarHBondContact O-N 2.77Å; A391-A394 PolarHBondContact O-N 2.88Å; A394-G398 WeakPolarHBondContact O-CA 3.29Å; A394-G398 PolarHBondContact O-N 2.83Å |
| 395 | V | 30.9 | Very low | 33.7 | Very low | 105 Ų | 105 | 70.7 Ų | 70.7 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.6 | -38 | 172.1 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | A391 G392 A399 | A391-V395 VanDerWaalsContact O-CB 3.3Å; A391-V395 WeakPolarHBondContact O-CB 3.33Å; A391-V395 WeakPolarHBondContact O-CG2 3.19Å; A391-V395 PolarHBondContact O-N 3.49Å; G392-V395 PolarHBondContact O-N 2.74Å; V395-A399 WeakPolarHBondContact O-CB 3.25Å; V395-A399 PolarHBondContact O-N 2.73Å |
| 396 | V | 34.7 | Very low | 33.9 | Very low | 75 Ų | 75 | 70.1 Ų | 70.1 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -74.1 | -39.1 | 176 | 167.6 | 0 | 0 | 0 | 0 | 111.8 | G392 G393 A399 K400 | G392-V396 VanDerWaalsContact O-CB 3.27Å; G392-V396 WeakPolarHBondContact O-CB 3.34Å; G392-V396 WeakPolarHBondContact O-CG2 3.4Å; G392-V396 PolarHBondContact O-N 2.83Å; G393-V396 CarbonylContact O-C 3.58Å; G393-V396 PolarHBondContact O-N 3.33Å; V396-A399 CarbonylContact O-C 3.55Å; V396-A399 PolarHBondContact O-N 3.42Å; V396-K400 HydrophobicContact CG1-CD 4.27Å; V396-K400 VanDerWaalsContact O-CB 3.32Å; V396-K400 WeakPolarHBondContact O-CB 3.38Å; V396-K400 VanDerWaalsContact O-CG 3.25Å; V396-K400 WeakPolarHBondContact O-CG 3.11Å; V396-K400 PolarHBondContact O-N 2.76Å |
| 397 | D | 41.6 | Very low | 34.1 | Very low | 98 Ų | 98 | 67.7 Ų | 67.7 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.7 | -34 | 175.7 | -70.7 | -21 | 0 | 0 | 0 | 110.8 | G393 K400 A401 | G393-D397 WeakPolarHBondContact O-CB 3.25Å; G393-D397 VanDerWaalsContact O-CG 3.23Å; G393-D397 PolarHBondContact O-N 3.17Å; D397-K400 CarbonylContact O-C 3.58Å; D397-K400 PolarHBondContact O-N 3.41Å; D397-A401 WeakPolarHBondContact O-CB 3.3Å; D397-A401 PolarHBondContact O-N 2.79Å |
| 398 | G | 32.3 | Very low | 34.8 | Very low | 33 Ų | 33 | 70.9 Ų | 70.9 | 34% | 0.34 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112 | A394 A401 V402 | A394-G398 WeakPolarHBondContact O-CA 3.29Å; A394-G398 PolarHBondContact O-N 2.83Å; G398-A401 PolarHBondContact O-N 2.82Å; G398-V402 WeakPolarHBondContact O-CB 3.32Å; G398-V402 VanDerWaalsContact O-CG2 3.25Å; G398-V402 WeakPolarHBondContact O-CG2 3.15Å; G398-V402 PolarHBondContact O-N 3.3Å |
| 399 | A | 31.1 | Very low | 35.4 | Very low | 62 Ų | 62 | 71.6 Ų | 71.6 | 51% | 0.512 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.2 | -33.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V395 V396 G403 | V395-A399 WeakPolarHBondContact O-CB 3.25Å; V395-A399 PolarHBondContact O-N 2.73Å; V396-A399 CarbonylContact O-C 3.55Å; V396-A399 PolarHBondContact O-N 3.42Å; A399-G403 WeakPolarHBondContact O-CA 3.18Å; A399-G403 PolarHBondContact O-N 2.8Å |
| 400 | K | 34.3 | Very low | 35.8 | Very low | 137 Ų | 137 | 76 Ų | 76 | 60% | 0.596 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -74.2 | -31.9 | 171.2 | -77.7 | 173.8 | -175.7 | 168.7 | 0 | 112.5 | V396 D397 G404 | V396-K400 HydrophobicContact CG1-CD 4.27Å; V396-K400 VanDerWaalsContact O-CB 3.32Å; V396-K400 WeakPolarHBondContact O-CB 3.38Å; V396-K400 VanDerWaalsContact O-CG 3.25Å; V396-K400 WeakPolarHBondContact O-CG 3.11Å; V396-K400 PolarHBondContact O-N 2.76Å; D397-K400 CarbonylContact O-C 3.58Å; D397-K400 PolarHBondContact O-N 3.41Å; K400-G404 WeakPolarHBondContact O-CA 3.23Å; K400-G404 PolarHBondContact O-N 2.73Å |
| 401 | A | 39.1 | Very low | 36.3 | Very low | 63 Ų | 63 | 75.5 Ų | 75.5 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.2 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | D397 G398 F405 | D397-A401 WeakPolarHBondContact O-CB 3.3Å; D397-A401 PolarHBondContact O-N 2.79Å; G398-A401 PolarHBondContact O-N 2.82Å; A401-F405 VanDerWaalsContact O-CB 3.23Å; A401-F405 WeakPolarHBondContact O-CB 3.26Å; A401-F405 PolarHBondContact O-N 2.83Å |
| 402 | V | 34.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 76.1 Ų | 76.1 | 58% | 0.576 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.6 | -43.8 | 170.5 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | G398 G404 F405 V406 | G398-V402 WeakPolarHBondContact O-CB 3.32Å; G398-V402 VanDerWaalsContact O-CG2 3.25Å; G398-V402 WeakPolarHBondContact O-CG2 3.15Å; G398-V402 PolarHBondContact O-N 3.3Å; V402-G404 VanDerWaalsContact C-N 3.34Å; V402-G404 PolarHBondContact O-N 3.19Å; V402-F405 PolarHBondContact O-N 2.78Å; V402-V406 HydrophobicContact CG1-CG2 4.41Å; V402-V406 WeakPolarHBondContact O-CB 3.39Å; V402-V406 WeakPolarHBondContact O-CG2 3.35Å; V402-V406 PolarHBondContact O-N 3.37Å |
| 403 | G | 30.5 | Very low | 37.9 | Very low | 38 Ų | 38 | 76.9 Ų | 76.9 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A399 S407 | A399-G403 WeakPolarHBondContact O-CA 3.18Å; A399-G403 PolarHBondContact O-N 2.8Å; G403-S407 WeakPolarHBondContact O-CB 3.23Å; G403-S407 PolarHBondContact O-N 3.5Å |
| 404 | G | 37.8 | Very low | 38.5 | Very low | 25 Ų | 25 | 84.2 Ų | 84.2 | 26% | 0.258 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -46.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K400 V402 V406 S407 D408 | K400-G404 WeakPolarHBondContact O-CA 3.23Å; K400-G404 PolarHBondContact O-N 2.73Å; V402-G404 VanDerWaalsContact C-N 3.34Å; V402-G404 PolarHBondContact O-N 3.19Å; G404-V406 VanDerWaalsContact C-N 3.33Å; G404-V406 PolarHBondContact O-N 3.4Å; G404-S407 CarbonylContact O-C 3.44Å; G404-S407 PolarHBondContact O-N 3.47Å; G404-D408 VanDerWaalsContact O-CB 3.26Å; G404-D408 WeakPolarHBondContact O-CB 3.44Å; G404-D408 PolarHBondContact O-N 2.71Å |
| 405 | F | 39.6 | Very low | 39.3 | Very low | 148 Ų | 148 | 86 Ų | 86 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -42 | 173.7 | -179.1 | -97.6 | 0 | 0 | 0 | 111.9 | A401 V402 T409 | A401-F405 VanDerWaalsContact O-CB 3.23Å; A401-F405 WeakPolarHBondContact O-CB 3.26Å; A401-F405 PolarHBondContact O-N 2.83Å; V402-F405 PolarHBondContact O-N 2.78Å; F405-T409 WeakPolarHBondContact O-CB 3.18Å; F405-T409 PolarHBondContact O-N 2.67Å; F405-T409 PolarHBondContact O-OG1 2.86Å |
| 406 | V | 36.8 | Very low | 40.3 | Very low | 85 Ų | 85 | 87.9 Ų | 87.9 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | V402 G404 F410 | V402-V406 HydrophobicContact CG1-CG2 4.41Å; V402-V406 WeakPolarHBondContact O-CB 3.39Å; V402-V406 WeakPolarHBondContact O-CG2 3.35Å; V402-V406 PolarHBondContact O-N 3.37Å; G404-V406 VanDerWaalsContact C-N 3.33Å; G404-V406 PolarHBondContact O-N 3.4Å; V406-F410 VanDerWaalsContact O-CB 3.23Å; V406-F410 WeakPolarHBondContact O-CB 3.17Å; V406-F410 PolarHBondContact O-N 2.79Å |
| 407 | S | 38 | Very low | 40.8 | Very low | 63 Ų | 63 | 88.3 Ų | 88.3 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | G403 G404 F410 S411 | G403-S407 WeakPolarHBondContact O-CB 3.23Å; G403-S407 PolarHBondContact O-N 3.5Å; G404-S407 CarbonylContact O-C 3.44Å; G404-S407 PolarHBondContact O-N 3.47Å; S407-F410 PolarHBondContact O-N 2.67Å; S407-S411 WeakPolarHBondContact O-CB 3.21Å; S407-S411 PolarHBondContact O-N 3.45Å; S407-S411 PolarHBondContact O-OG 2.85Å |
| 408 | D | 46.4 | Very low | 41.1 | Very low | 105 Ų | 105 | 85 Ų | 85 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.4 | -37.2 | 177.8 | -71.5 | -15.8 | 0 | 0 | 0 | 110.6 | G404 S411 S412 | G404-D408 VanDerWaalsContact O-CB 3.26Å; G404-D408 WeakPolarHBondContact O-CB 3.44Å; G404-D408 PolarHBondContact O-N 2.71Å; D408-S411 PolarHBondContact O-N 2.79Å; D408-S412 WeakPolarHBondContact O-CB 3.18Å; D408-S412 PolarHBondContact O-N 2.82Å; D408-S412 PolarHBondContact O-OG 2.86Å |
| 409 | T | 42.8 | Very low | 42 | Very low | 73 Ų | 73 | 88.2 Ų | 88.2 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 171.8 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | F405 A413 | F405-T409 WeakPolarHBondContact O-CB 3.18Å; F405-T409 PolarHBondContact O-N 2.67Å; F405-T409 PolarHBondContact O-OG1 2.86Å; T409-A413 VanDerWaalsContact O-CB 3.23Å; T409-A413 WeakPolarHBondContact O-CB 3.35Å; T409-A413 PolarHBondContact O-N 2.9Å |
| 410 | F | 39.3 | Very low | 43 | Very low | 156 Ų | 156 | 88.1 Ų | 88.1 | 68% | 0.684 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.7 | -35.6 | 178.4 | -155.5 | -90.2 | 0 | 0 | 0 | 112.1 | V406 S407 R414 | V406-F410 VanDerWaalsContact O-CB 3.23Å; V406-F410 WeakPolarHBondContact O-CB 3.17Å; V406-F410 PolarHBondContact O-N 2.79Å; S407-F410 PolarHBondContact O-N 2.67Å; F410-R414 WeakPolarHBondContact O-CB 3.39Å; F410-R414 PolarHBondContact O-N 2.71Å |
| 411 | S | 46.7 | Very low | 43.6 | Very low | 52 Ų | 52 | 87.5 Ų | 87.5 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.3 | -41.2 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | S407 D408 R414 D415 | S407-S411 WeakPolarHBondContact O-CB 3.21Å; S407-S411 PolarHBondContact O-N 3.45Å; S407-S411 PolarHBondContact O-OG 2.85Å; D408-S411 PolarHBondContact O-N 2.79Å; S411-R414 CarbonylContact O-C 3.38Å; S411-R414 PolarHBondContact O-N 2.77Å; S411-D415 WeakPolarHBondContact O-CB 3.35Å; S411-D415 PolarHBondContact O-N 3.2Å |
| 412 | S | 50.9 | Low | 44.2 | Very low | 66 Ų | 66 | 91 Ų | 91 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 173.7 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | D408 R414 D415 E416 | D408-S412 WeakPolarHBondContact O-CB 3.18Å; D408-S412 PolarHBondContact O-N 2.82Å; D408-S412 PolarHBondContact O-OG 2.86Å; S412-R414 VanDerWaalsContact C-N 3.33Å; S412-R414 PolarHBondContact O-N 3.45Å; S412-D415 PolarHBondContact O-N 3.48Å; S412-E416 WeakPolarHBondContact O-CB 3.36Å; S412-E416 WeakPolarHBondContact O-CG 3.35Å; S412-E416 PolarHBondContact O-N 2.89Å |
| 413 | A | 41.4 | Very low | 45.2 | Very low | 46 Ų | 46 | 89.8 Ų | 89.8 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | T409 T417 | T409-A413 VanDerWaalsContact O-CB 3.23Å; T409-A413 WeakPolarHBondContact O-CB 3.35Å; T409-A413 PolarHBondContact O-N 2.9Å; A413-T417 VanDerWaalsContact O-CB 3.23Å; A413-T417 WeakPolarHBondContact O-CB 3.23Å; A413-T417 PolarHBondContact O-N 2.95Å; A413-T417 PolarHBondContact O-OG1 2.84Å |
| 414 | R | 43.5 | Very low | 46.3 | Very low | 180 Ų | 180 | 90.5 Ų | 90.5 | 68% | 0.679 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.4 | -37.9 | 176.7 | -169.9 | -176 | 117.5 | 159.4 | 3.7 | 112.2 | F410 S411 S412 T417 G418 | F410-R414 WeakPolarHBondContact O-CB 3.39Å; F410-R414 PolarHBondContact O-N 2.71Å; S411-R414 CarbonylContact O-C 3.38Å; S411-R414 PolarHBondContact O-N 2.77Å; S412-R414 VanDerWaalsContact C-N 3.33Å; S412-R414 PolarHBondContact O-N 3.45Å; R414-T417 PolarHBondContact O-N 2.78Å; R414-G418 PolarHBondContact O-N 3.22Å |
| 415 | D | 52 | Low | 46.7 | Very low | 100 Ų | 100 | 91 Ų | 91 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.4 | -39.3 | 179 | -73.9 | -18.2 | 0 | 0 | 0 | 111.3 | S411 S412 T417 G418 E419 | S411-D415 WeakPolarHBondContact O-CB 3.35Å; S411-D415 PolarHBondContact O-N 3.2Å; S412-D415 PolarHBondContact O-N 3.48Å; D415-T417 VanDerWaalsContact C-N 3.32Å; D415-T417 PolarHBondContact O-N 3.36Å; D415-G418 PolarHBondContact O-N 2.78Å; D415-E419 WeakPolarHBondContact O-CB 3.23Å; D415-E419 WeakPolarHBondContact O-CG 3.47Å; D415-E419 PolarHBondContact O-N 3.49Å |
| 416 | E | 52.7 | Low | 47.4 | Very low | 146 Ų | 146 | 87.2 Ų | 87.2 | 68% | 0.682 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 169.3 | -77.1 | -178.3 | 173.3 | 0 | 0 | 111.4 | S412 A420 | S412-E416 WeakPolarHBondContact O-CB 3.36Å; S412-E416 WeakPolarHBondContact O-CG 3.35Å; S412-E416 PolarHBondContact O-N 2.89Å; E416-A420 WeakPolarHBondContact O-CB 3.21Å; E416-A420 PolarHBondContact O-N 2.86Å |
| 417 | T | 45.6 | Very low | 48.2 | Very low | 83 Ų | 83 | 90.3 Ų | 90.3 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 174.9 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | A413 R414 D415 L421 | A413-T417 VanDerWaalsContact O-CB 3.23Å; A413-T417 WeakPolarHBondContact O-CB 3.23Å; A413-T417 PolarHBondContact O-N 2.95Å; A413-T417 PolarHBondContact O-OG1 2.84Å; R414-T417 PolarHBondContact O-N 2.78Å; D415-T417 VanDerWaalsContact C-N 3.32Å; D415-T417 PolarHBondContact O-N 3.36Å; T417-L421 HydrophobicContact CG2-CD1 4.12Å; T417-L421 WeakPolarHBondContact O-CB 3.2Å; T417-L421 WeakPolarHBondContact O-CD1 3.2Å; T417-L421 PolarHBondContact O-N 3.44Å |
| 418 | G | 46.9 | Very low | 48.7 | Very low | 29 Ų | 29 | 91.7 Ų | 91.7 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R414 D415 L421 K422 | R414-G418 PolarHBondContact O-N 3.22Å; D415-G418 PolarHBondContact O-N 2.78Å; G418-L421 PolarHBondContact O-N 2.65Å; G418-K422 WeakPolarHBondContact O-CG 3.48Å; G418-K422 PolarHBondContact O-N 2.73Å |
| 419 | E | 52.5 | Low | 48.9 | Very low | 101 Ų | 101 | 94.7 Ų | 94.7 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.6 | -35.6 | 175.1 | -73.7 | -59 | 128.8 | 0 | 0 | 111.6 | D415 K422 T423 | D415-E419 WeakPolarHBondContact O-CB 3.23Å; D415-E419 WeakPolarHBondContact O-CG 3.47Å; D415-E419 PolarHBondContact O-N 3.49Å; E419-K422 PolarHBondContact O-N 2.93Å; E419-K422 IonicContact OE1-NZ 2.68Å; E419-K422 PolarHBondContact OE1-NZ 2.99Å; E419-T423 WeakPolarHBondContact O-CB 3.33Å; E419-T423 PolarHBondContact O-N 2.9Å; E419-T423 PolarHBondContact O-OG1 3.48Å |
| 420 | A | 52.1 | Low | 49.4 | Very low | 60 Ų | 60 | 95.2 Ų | 95.2 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E416 T423 A424 | E416-A420 WeakPolarHBondContact O-CB 3.21Å; E416-A420 PolarHBondContact O-N 2.86Å; A420-T423 PolarHBondContact O-N 2.79Å; A420-A424 VanDerWaalsContact O-CB 3.28Å; A420-A424 WeakPolarHBondContact O-CB 3.45Å; A420-A424 PolarHBondContact O-N 3.49Å |
| 421 | L | 45.7 | Very low | 50 | Low | 124 Ų | 124 | 92.4 Ų | 92.4 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.6 | -40.7 | 175.7 | -110 | 101.4 | 0 | 0 | 0 | 112.9 | T417 G418 A424 G425 | T417-L421 HydrophobicContact CG2-CD1 4.12Å; T417-L421 WeakPolarHBondContact O-CB 3.2Å; T417-L421 WeakPolarHBondContact O-CD1 3.2Å; T417-L421 PolarHBondContact O-N 3.44Å; G418-L421 PolarHBondContact O-N 2.65Å; L421-A424 PolarHBondContact O-N 3.41Å; L421-G425 PolarHBondContact O-N 3.13Å |
| 422 | K | 52.5 | Low | 49.8 | Very low | 135 Ų | 135 | 100.2 Ų | 100.2 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.2 | -44.9 | 174.1 | -80.5 | -177.1 | -160.9 | 154.3 | 0 | 111.4 | G418 E419 A424 G425 S426 | G418-K422 WeakPolarHBondContact O-CG 3.48Å; G418-K422 PolarHBondContact O-N 2.73Å; E419-K422 PolarHBondContact O-N 2.93Å; E419-K422 IonicContact OE1-NZ 2.68Å; E419-K422 PolarHBondContact OE1-NZ 2.99Å; K422-A424 VanDerWaalsContact C-N 3.33Å; K422-A424 PolarHBondContact O-N 2.89Å; K422-G425 CarbonylContact O-C 3.58Å; K422-G425 PolarHBondContact O-N 2.84Å; K422-G425 VanDerWaalsContact O-N 3.13Å; K422-S426 PolarHBondContact O-N 2.83Å; K422-S426 PolarHBondContact O-OG 2.91Å |
| 423 | T | 56.1 | Low | 49.7 | Very low | 70 Ų | 70 | 101.9 Ų | 101.9 | 43% | 0.429 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.5 | -42.9 | 178.2 | -59.8 | 0 | 0 | 0 | 0 | 111 | E419 A420 S426 K427 | E419-T423 WeakPolarHBondContact O-CB 3.33Å; E419-T423 PolarHBondContact O-N 2.9Å; E419-T423 PolarHBondContact O-OG1 3.48Å; A420-T423 PolarHBondContact O-N 2.79Å; T423-S426 WeakPolarHBondContact CA-OG 3.5Å; T423-S426 PolarHBondContact O-N 3.49Å; T423-S426 PolarHBondContact O-OG 3.4Å; T423-K427 WeakPolarHBondContact O-CB 3.43Å; T423-K427 WeakPolarHBondContact O-CG 3.28Å; T423-K427 PolarHBondContact O-N 3.05Å |
| 424 | A | 53.7 | Low | 50.2 | Low | 53 Ų | 53 | 104.8 Ų | 104.8 | 44% | 0.438 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -44.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A420 L421 K422 S426 K427 V428 | A420-A424 VanDerWaalsContact O-CB 3.28Å; A420-A424 WeakPolarHBondContact O-CB 3.45Å; A420-A424 PolarHBondContact O-N 3.49Å; L421-A424 PolarHBondContact O-N 3.41Å; K422-A424 VanDerWaalsContact C-N 3.33Å; K422-A424 PolarHBondContact O-N 2.89Å; A424-S426 PolarHBondContact O-N 3.46Å; A424-K427 PolarHBondContact O-N 3.42Å; A424-V428 VanDerWaalsContact O-CG2 3.31Å; A424-V428 WeakPolarHBondContact O-CG2 3.36Å; A424-V428 PolarHBondContact O-N 2.98Å |
| 425 | G | 46.3 | Very low | 50.5 | Low | 36 Ų | 36 | 100.7 Ų | 100.7 | 37% | 0.371 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.7 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L421 K422 V428 K429 | L421-G425 PolarHBondContact O-N 3.13Å; K422-G425 CarbonylContact O-C 3.58Å; K422-G425 PolarHBondContact O-N 2.84Å; K422-G425 VanDerWaalsContact O-N 3.13Å; G425-V428 PolarHBondContact O-N 3.28Å; G425-K429 PolarHBondContact O-N 3.49Å |
| 426 | S | 53.8 | Low | 50.4 | Low | 68 Ų | 68 | 100.7 Ų | 100.7 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.3 | -31.8 | 174.5 | 43.9 | 0 | 0 | 0 | 0 | 113 | K422 T423 A424 K429 A430 | K422-S426 PolarHBondContact O-N 2.83Å; K422-S426 PolarHBondContact O-OG 2.91Å; T423-S426 WeakPolarHBondContact CA-OG 3.5Å; T423-S426 PolarHBondContact O-N 3.49Å; T423-S426 PolarHBondContact O-OG 3.4Å; A424-S426 PolarHBondContact O-N 3.46Å; S426-K429 PolarHBondContact O-N 3.5Å; S426-A430 WeakPolarHBondContact O-CB 3.31Å; S426-A430 PolarHBondContact O-N 3.04Å |
| 427 | K | 53.2 | Low | 50.3 | Low | 150 Ų | 150 | 97.9 Ų | 97.9 | 65% | 0.652 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.3 | -37.7 | 171.4 | -80.6 | -176.8 | 178.9 | -178.6 | 0 | 111.8 | T423 A424 A430 S431 | T423-K427 WeakPolarHBondContact O-CB 3.43Å; T423-K427 WeakPolarHBondContact O-CG 3.28Å; T423-K427 PolarHBondContact O-N 3.05Å; A424-K427 PolarHBondContact O-N 3.42Å; K427-A430 PolarHBondContact O-N 3.47Å; K427-S431 PolarHBondContact O-N 3.22Å; K427-S431 PolarHBondContact O-OG 3.36Å |
| 428 | V | 49.6 | Very low | 50.6 | Low | 92 Ų | 92 | 98.9 Ų | 98.9 | 56% | 0.558 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.6 | -41.9 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | A424 G425 A430 S431 | A424-V428 VanDerWaalsContact O-CG2 3.31Å; A424-V428 WeakPolarHBondContact O-CG2 3.36Å; A424-V428 PolarHBondContact O-N 2.98Å; G425-V428 PolarHBondContact O-N 3.28Å; V428-A430 VanDerWaalsContact C-N 3.32Å; V428-A430 PolarHBondContact O-N 2.99Å; V428-S431 PolarHBondContact O-N 2.87Å; V428-S431 PolarHBondContact O-OG 3.32Å |
| 429 | K | 50.1 | Low | 50.9 | Low | 169 Ų | 169 | 103.9 Ų | 103.9 | 74% | 0.735 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.6 | -17.2 | 175.2 | -78.9 | -172.9 | 176.8 | -177.4 | 0 | 115.4 | G425 S426 | G425-K429 PolarHBondContact O-N 3.49Å; S426-K429 PolarHBondContact O-N 3.5Å |
| 430 | A | 53.3 | Low | 50.8 | Low | 84 Ų | 84 | 104.1 Ų | 104.1 | 69% | 0.694 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S426 K427 V428 | S426-A430 WeakPolarHBondContact O-CB 3.31Å; S426-A430 PolarHBondContact O-N 3.04Å; K427-A430 PolarHBondContact O-N 3.47Å; V428-A430 VanDerWaalsContact C-N 3.32Å; V428-A430 PolarHBondContact O-N 2.99Å |
| 431 | S | 50.9 | Low | 50.7 | Low | 97 Ų | 97 | 107.8 Ų | 107.8 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | trans | -106.1 | -1.8 | 177 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | K427 V428 | K427-S431 PolarHBondContact O-N 3.22Å; K427-S431 PolarHBondContact O-OG 3.36Å; V428-S431 PolarHBondContact O-N 2.87Å; V428-S431 PolarHBondContact O-OG 3.32Å | ||
| 432 | E | 42.9 | Very low | 51.1 | Low | 215 Ų | 215 | 106.3 Ų | 106.3 | 100% | 1.005 | 60% | 0.602 | S | S | * | * | trans | -92.9 | 0 | 158.4 | -70.4 | -175.9 | 141.9 | 0 | 0 | 108.9 |
Retrieved 432 of 432 residues in 204.2 ms
(Link to these results)