| 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 | 70.6 | Confident | 88.5 | Confident | 133 Ų | 133 | 96.9 Ų | 96.9 | 66% | 0.655 | 51% | 0.509 | S | S | * | . | 0 | 141.3 | 0 | -66.2 | -176.9 | -169.7 | 0 | 0 | 107.1 | K200 K201 F204 | M1-K200 HydrophobicContact CE-CD 4.42Å; M1-K200 HydrophobicContact CE-CG 4.01Å; M1-K200 HydrophobicContact SD-CD 4.01Å; M1-K200 VanDerWaalsContact SD-CE 3.52Å; M1-K200 HydrophobicContact SD-CG 4.08Å; M1-K201 HydrophobicContact SD-CG 4.38Å; M1-F204 HydrophobicContact CE-CD1 4.46Å | |||
| 2 | P | 75.9 | Confident | 88.7 | Confident | 75 Ų | 75 | 88.9 Ų | 88.9 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | trans | -60.8 | 142.6 | 174.5 | 25.5 | -31.6 | 0 | 0 | 0 | 110.2 | L4 D29 | P2-L4 PolarHBondContact O-N 3.11Å; P2-D29 VanDerWaalsContact CD-OD1 3.28Å; P2-D29 WeakPolarHBondContact CD-OD1 3.45Å; P2-D29 HydrophobicContact CG-CB 4.28Å; P2-D29 WeakPolarHBondContact CG-OD1 3.45Å | ||
| 3 | V | 80.7 | Confident | 88.9 | Confident | 148 Ų | 148 | 87.6 Ų | 87.6 | 90% | 0.897 | 47% | 0.465 | S | S | * | . | trans | -88.6 | 105.6 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 4 | L | 88.9 | Confident | 89.1 | Confident | 51 Ų | 51 | 88.4 Ų | 88.4 | 27% | 0.267 | 47% | 0.474 | S | S | . | . | trans | -105.9 | 134.7 | 174.2 | -61.4 | 174.9 | 0 | 0 | 0 | 108.4 | P2 D25 H26 D29 | P2-L4 PolarHBondContact O-N 3.11Å; L4-D25 HydrophobicContact CD2-CB 4.44Å; L4-H26 VanDerWaalsContact CB-CE1 3.42Å; L4-H26 WeakPolarHBondContact CB-CE1 3.44Å; L4-H26 HydrophobicContact CD1-CB 4.38Å; L4-D29 HydrophobicContact CD1-CB 4.01Å | ||
| 5 | S | 90.5 | Very high | 89.3 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 62% | 0.615 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 141.3 | 173 | 50.3 | 0 | 0 | 0 | 0 | 110 | H26 | S5-H26 PolarHBondContact O-CE1 3.41Å; S5-H26 PolarHBondContact O-NE2 3.32Å |
| 6 | P | 94 | Very high | 89.6 | Confident | 87 Ų | 87 | 82.2 Ų | 82.2 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 143 | 174.5 | -24.9 | 34.5 | 0 | 0 | 0 | 112.2 | E8 | P6-E8 PolarHBondContact O-N 3.46Š|
| 7 | L | 95 | Very high | 89.9 | Confident | 11 Ų | 11 | 83.9 Ų | 83.9 | 6% | 0.058 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 122.3 | 175.7 | -69.2 | 170 | 0 | 0 | 0 | 109.6 | F19 A22 L23 H26 I190 I193 N194 | L7-F19 HydrophobicContact CD2-CD2 4.46Å; L7-F19 HydrophobicContact CD2-CE2 4.38Å; L7-A22 HydrophobicContact CD2-CB 3.86Å; L7-L23 HydrophobicContact CD1-CD1 3.73Å; L7-H26 HydrophobicContact CD1-CB 4.22Å; L7-I190 HydrophobicContact CB-CD1 4.43Å; L7-I190 HydrophobicContact CB-CG2 3.62Å; L7-I190 HydrophobicContact CD1-CD1 3.86Å; L7-I193 HydrophobicContact CD1-CG2 3.81Å; L7-N194 PolarHBondContact N-OD1 3.38Å; L7-N194 VanDerWaalsContact N-OD1 3.15Å; L7-N194 PolarHBondContact O-ND2 3.41Å |
| 8 | E | 94.8 | Very high | 90.1 | Very high | 112 Ų | 112 | 86.6 Ų | 86.6 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 139.3 | -177.5 | -67.8 | -64.7 | 161.2 | 0 | 0 | 112.1 | P6 R10 D11 C12 | P6-E8 PolarHBondContact O-N 3.46Å; E8-R10 VanDerWaalsContact C-N 3.26Å; E8-R10 PolarHBondContact O-N 3.19Å; E8-D11 HydrophobicContact CB-CB 4.47Å; E8-D11 PolarHBondContact O-N 2.58Å; E8-C12 PolarHBondContact O-N 3.38Å |
| 9 | F | 95.2 | Very high | 90.3 | Very high | 87 Ų | 87 | 82.4 Ų | 82.4 | 38% | 0.382 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.5 | -32.9 | 178.1 | -69.4 | -40 | 0 | 0 | 0 | 112.8 | D11 C12 V13 F187 I190 | F9-D11 PolarHBondContact O-N 3.47Å; F9-C12 WeakPolarHBondContact O-CB 3.32Å; F9-C12 PolarHBondContact O-N 3.03Å; F9-V13 WeakPolarHBondContact O-CG2 3.35Å; F9-V13 PolarHBondContact O-N 3.18Å; F9-V13 VanDerWaalsContact O-N 3.15Å; F9-F187 HydrophobicContact CB-CD1 4.13Å; F9-F187 HydrophobicContact CB-CE1 3.65Å; F9-F187 HydrophobicContact CB-CE2 4.34Å; F9-F187 HydrophobicContact CB-CZ 3.77Å; F9-F187 HydrophobicContact CD1-CB 4.18Å; F9-F187 AromaticContact CD1-CD1 3.6Å; F9-F187 HydrophobicContact CD1-CD1 3.6Å; F9-F187 HydrophobicContact CD1-CD2 4.43Å; F9-F187 HydrophobicContact CD1-CE1 4.04Å; F9-F187 AromaticContact CD1-CG 3.83Å; F9-F187 HydrophobicContact CD1-CG 3.83Å; F9-F187 HydrophobicContact CE1-CB 4.04Å; F9-F187 HydrophobicContact CE1-CD1 4.33Å; F9-F187 HydrophobicContact CE1-CG 4.18Å; F9-F187 HydrophobicContact CG-CD1 4.08Å; F9-F187 HydrophobicContact CG-CD2 4.46Å; F9-F187 HydrophobicContact CG-CE1 4.09Å; F9-F187 HydrophobicContact CG-CE2 4.48Å; F9-F187 HydrophobicContact CG-CG 4.27Å; F9-F187 HydrophobicContact CG-CZ 4.29Å; F9-F187 WeakPolarHBondContact O-CE1 3.47Å; F9-I190 HydrophobicContact CD1-CB 4.43Å; F9-I190 HydrophobicContact CD1-CG2 4.15Å; F9-I190 HydrophobicContact CE1-CB 4.23Å; F9-I190 HydrophobicContact CE1-CG2 4.06Å |
| 10 | R | 94.1 | Very high | 90.5 | Very high | 200 Ų | 200 | 81.9 Ų | 81.9 | 76% | 0.755 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.6 | -46.8 | 176.9 | -179.4 | -178.4 | 175.5 | -167.3 | -2.2 | 111.5 | E8 C12 V13 V14 | E8-R10 VanDerWaalsContact C-N 3.26Å; E8-R10 PolarHBondContact O-N 3.19Å; R10-C12 PolarHBondContact O-N 3.5Å; R10-V13 PolarHBondContact O-N 2.91Å; R10-V13 VanDerWaalsContact O-N 3.14Å; R10-V14 WeakPolarHBondContact O-CG2 3.38Å; R10-V14 PolarHBondContact O-N 3.38Å; R10-V14 VanDerWaalsContact O-N 3.11Å |
| 11 | D | 93.5 | Very high | 90.7 | Very high | 74 Ų | 74 | 84.6 Ų | 84.6 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.7 | -31.1 | -177.7 | -65.7 | -23.3 | 0 | 0 | 0 | 111.5 | E8 F9 V14 D15 F19 | E8-D11 HydrophobicContact CB-CB 4.47Å; E8-D11 PolarHBondContact O-N 2.58Å; F9-D11 PolarHBondContact O-N 3.47Å; D11-V14 PolarHBondContact O-N 2.74Å; D11-D15 PolarHBondContact O-N 2.85Å; D11-F19 HydrophobicContact CB-CB 4.17Å; D11-F19 HydrophobicContact CB-CD2 3.93Å; D11-F19 HydrophobicContact CB-CG 4.32Å |
| 12 | C | 91 | Very high | 91.9 | Very high | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.007 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 113.4 | E8 F9 R10 D15 F19 A186 F187 I190 | E8-C12 PolarHBondContact O-N 3.38Å; F9-C12 WeakPolarHBondContact O-CB 3.32Å; F9-C12 PolarHBondContact O-N 3.03Å; R10-C12 PolarHBondContact O-N 3.5Å; C12-D15 PolarHBondContact O-N 3.28Å; C12-F19 HydrophobicContact CB-CE1 4.26Å; C12-F19 HydrophobicContact CB-CE2 3.72Å; C12-F19 HydrophobicContact CB-CZ 3.57Å; C12-A186 WeakPolarHBondContact SG-CB 3.43Å; C12-F187 HydrophobicContact CB-CE1 4.5Å; C12-I190 HydrophobicContact CB-CG1 4.26Å |
| 13 | V | 91.3 | Very high | 92.8 | Very high | 72 Ų | 72 | 76.3 Ų | 76.3 | 44% | 0.436 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70 | -39.2 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | F9 R10 D15 I183 F187 | F9-V13 WeakPolarHBondContact O-CG2 3.35Å; F9-V13 PolarHBondContact O-N 3.18Å; F9-V13 VanDerWaalsContact O-N 3.15Å; R10-V13 PolarHBondContact O-N 2.91Å; R10-V13 VanDerWaalsContact O-N 3.14Å; V13-D15 VanDerWaalsContact C-N 3.29Å; V13-I183 HydrophobicContact CG1-CD1 4.11Å; V13-I183 HydrophobicContact CG2-CD1 4.35Å; V13-I183 HydrophobicContact CG2-CG1 4.39Å; V13-I183 HydrophobicContact CG2-CG2 4.19Å; V13-F187 HydrophobicContact CG2-CE1 3.62Å; V13-F187 HydrophobicContact CG2-CZ 3.62Å |
| 14 | V | 92.5 | Very high | 93.4 | Very high | 99 Ų | 99 | 72.2 Ų | 72.2 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.2 | -31.9 | 176.4 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | R10 D11 S16 | R10-V14 WeakPolarHBondContact O-CG2 3.38Å; R10-V14 PolarHBondContact O-N 3.38Å; R10-V14 VanDerWaalsContact O-N 3.11Å; D11-V14 PolarHBondContact O-N 2.74Å; V14-S16 PolarHBondContact O-N 3.45Å |
| 15 | D | 91.8 | Very high | 93.6 | Very high | 47 Ų | 47 | 73.2 Ų | 73.2 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 45.9 | 178.8 | -162 | 24.1 | 0 | 0 | 0 | 113.9 | D11 C12 V13 R20 Y182 | D11-D15 PolarHBondContact O-N 2.85Å; C12-D15 PolarHBondContact O-N 3.28Å; V13-D15 VanDerWaalsContact C-N 3.29Å; D15-R20 IonicContact OD1-CZ 3.06Å; D15-R20 IonicContact OD1-NE 3.05Å; D15-R20 PolarHBondContact OD1-NE 2.84Å; D15-R20 IonicContact OD1-NH2 3.13Å; D15-R20 PolarHBondContact OD1-NH2 3.02Å; D15-R20 IonicContact OD2-CZ 2.7Å; D15-R20 IonicContact OD2-NE 3.97Å; D15-R20 IonicContact OD2-NH2 3.55Å; D15-R20 PolarHBondContact OD2-NH2 3.35Å; D15-Y182 PolarHBondContact OD2-OH 3.21Å |
| 16 | S | 94.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 69.2 Ų | 69.2 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | trans | -71.9 | 158.9 | -176.8 | 73.6 | 0 | 0 | 0 | 0 | 113 | V14 N18 F19 R20 | V14-S16 PolarHBondContact O-N 3.45Å; S16-N18 PolarHBondContact O-N 2.95Å; S16-F19 WeakPolarHBondContact O-CB 3.13Å; S16-F19 PolarHBondContact O-N 3.47Å; S16-F19 VanDerWaalsContact O-N 3.11Å; S16-F19 PolarHBondContact OG-N 2.98Å; S16-F19 VanDerWaalsContact OG-N 3.11Å; S16-R20 PolarHBondContact O-N 3.45Å | ||
| 17 | P | 93.8 | Very high | 93.8 | Very high | 112 Ų | 112 | 67.4 Ų | 67.4 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -55.3 | -34.3 | 171 | -26.5 | 35.3 | 0 | 0 | 0 | 113.4 | R20 K21 | P17-R20 PolarHBondContact O-N 3.4Å; P17-K21 WeakPolarHBondContact O-CB 3.37Å; P17-K21 PolarHBondContact O-N 2.93Å |
| 18 | N | 93.5 | Very high | 93.6 | Very high | 131 Ų | 131 | 69.2 Ų | 69.2 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.2 | -43.5 | 176.9 | -68.2 | -16.4 | 0 | 0 | 0 | 111.5 | S16 K21 A22 | S16-N18 PolarHBondContact O-N 2.95Å; N18-K21 PolarHBondContact O-N 3.36Å; N18-A22 PolarHBondContact O-N 2.91Å |
| 19 | F | 94.8 | Very high | 93.5 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 173.4 | 165.4 | -104.5 | 0 | 0 | 0 | 111.4 | L7 D11 C12 S16 K21 A22 L23 I190 | L7-F19 HydrophobicContact CD2-CD2 4.46Å; L7-F19 HydrophobicContact CD2-CE2 4.38Å; D11-F19 HydrophobicContact CB-CB 4.17Å; D11-F19 HydrophobicContact CB-CD2 3.93Å; D11-F19 HydrophobicContact CB-CG 4.32Å; C12-F19 HydrophobicContact CB-CE1 4.26Å; C12-F19 HydrophobicContact CB-CE2 3.72Å; C12-F19 HydrophobicContact CB-CZ 3.57Å; S16-F19 WeakPolarHBondContact O-CB 3.13Å; S16-F19 PolarHBondContact O-N 3.47Å; S16-F19 VanDerWaalsContact O-N 3.11Å; S16-F19 PolarHBondContact OG-N 2.98Å; S16-F19 VanDerWaalsContact OG-N 3.11Å; F19-K21 VanDerWaalsContact C-N 3.27Å; F19-K21 PolarHBondContact O-N 2.97Å; F19-A22 PolarHBondContact O-N 3.41Å; F19-L23 HydrophobicContact CE1-CD2 4.42Å; F19-L23 HydrophobicContact CZ-CD2 4.31Å; F19-L23 WeakPolarHBondContact O-CB 2.96Å; F19-L23 PolarHBondContact O-N 3.46Å; F19-I190 HydrophobicContact CE2-CD1 3.92Å; F19-I190 HydrophobicContact CE2-CG1 4.39Å; F19-I190 HydrophobicContact CZ-CD1 3.73Å; F19-I190 HydrophobicContact CZ-CG1 4.18Å |
| 20 | R | 94.7 | Very high | 93.4 | Very high | 73 Ų | 73 | 61 Ų | 61 | 28% | 0.275 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -36.6 | 177.8 | -71.3 | -67.5 | -175.6 | 178.9 | -7.8 | 112.4 | D15 S16 P17 S24 F145 Y182 | D15-R20 IonicContact OD1-CZ 3.06Å; D15-R20 IonicContact OD1-NE 3.05Å; D15-R20 PolarHBondContact OD1-NE 2.84Å; D15-R20 IonicContact OD1-NH2 3.13Å; D15-R20 PolarHBondContact OD1-NH2 3.02Å; D15-R20 IonicContact OD2-CZ 2.7Å; D15-R20 IonicContact OD2-NE 3.97Å; D15-R20 IonicContact OD2-NH2 3.55Å; D15-R20 PolarHBondContact OD2-NH2 3.35Å; S16-R20 PolarHBondContact O-N 3.45Å; P17-R20 PolarHBondContact O-N 3.4Å; R20-S24 WeakPolarHBondContact O-CB 3.34Å; R20-S24 PolarHBondContact O-N 2.93Å; R20-F145 VanDerWaalsContact NH1-CE1 3.28Å; R20-Y182 PolarHBondContact NH2-OH 3.49Å |
| 21 | K | 94.5 | Very high | 93.3 | Very high | 139 Ų | 139 | 58.1 Ų | 58.1 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.6 | -50.4 | 172.9 | 179.1 | 161.9 | -179.7 | 160.5 | 0 | 111.7 | P17 N18 F19 L23 S24 D25 | P17-K21 WeakPolarHBondContact O-CB 3.37Å; P17-K21 PolarHBondContact O-N 2.93Å; N18-K21 PolarHBondContact O-N 3.36Å; F19-K21 VanDerWaalsContact C-N 3.27Å; F19-K21 PolarHBondContact O-N 2.97Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 3.36Å; K21-S24 WeakPolarHBondContact O-CB 3.42Å; K21-S24 PolarHBondContact O-N 3.18Å; K21-S24 VanDerWaalsContact O-N 3.12Å; K21-D25 VanDerWaalsContact O-CG 3.31Å; K21-D25 PolarHBondContact O-N 2.9Å |
| 22 | A | 94.8 | Very high | 93.3 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -48.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | L7 N18 F19 S24 D25 H26 | L7-A22 HydrophobicContact CD2-CB 3.86Å; N18-A22 PolarHBondContact O-N 2.91Å; F19-A22 PolarHBondContact O-N 3.41Å; A22-S24 VanDerWaalsContact C-N 3.32Å; A22-S24 PolarHBondContact O-N 3.13Å; A22-D25 WeakPolarHBondContact O-CB 3.46Å; A22-D25 PolarHBondContact O-N 3.4Å; A22-H26 PolarHBondContact O-CD2 2.84Å; A22-H26 PolarHBondContact O-N 3.24Å |
| 23 | L | 94.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.6 | -45.3 | 176 | 178.5 | 61 | 0 | 0 | 0 | 111.9 | L7 F19 K21 D25 H26 E27 F145 Y189 I190 I193 | L7-L23 HydrophobicContact CD1-CD1 3.73Å; F19-L23 HydrophobicContact CE1-CD2 4.42Å; F19-L23 HydrophobicContact CZ-CD2 4.31Å; F19-L23 WeakPolarHBondContact O-CB 2.96Å; F19-L23 PolarHBondContact O-N 3.46Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 3.36Å; L23-D25 VanDerWaalsContact C-N 3.29Å; L23-D25 PolarHBondContact O-N 3.44Å; L23-H26 WeakPolarHBondContact O-CB 3.39Å; L23-H26 PolarHBondContact O-N 3.07Å; L23-E27 HydrophobicContact CD1-CG 4.36Å; L23-E27 HydrophobicContact CG-CG 4.5Å; L23-E27 WeakPolarHBondContact O-CG 3.31Å; L23-E27 PolarHBondContact O-N 3.16Å; L23-F145 HydrophobicContact CD2-CD1 4.47Å; L23-F145 HydrophobicContact CD2-CE1 3.7Å; L23-Y189 HydrophobicContact CD1-CE1 4.02Å; L23-Y189 HydrophobicContact CD2-CE1 4.37Å; L23-I190 HydrophobicContact CD1-CD1 3.78Å; L23-I190 HydrophobicContact CD2-CD1 4.45Å; L23-I193 HydrophobicContact CD1-CG1 4.49Å |
| 24 | S | 93.6 | Very high | 93.4 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 43% | 0.434 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 175.5 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | R20 K21 A22 E27 A28 | R20-S24 WeakPolarHBondContact O-CB 3.34Å; R20-S24 PolarHBondContact O-N 2.93Å; K21-S24 WeakPolarHBondContact O-CB 3.42Å; K21-S24 PolarHBondContact O-N 3.18Å; K21-S24 VanDerWaalsContact O-N 3.12Å; A22-S24 VanDerWaalsContact C-N 3.32Å; A22-S24 PolarHBondContact O-N 3.13Å; S24-E27 PolarHBondContact O-N 2.9Å; S24-A28 VanDerWaalsContact O-CB 3.31Å; S24-A28 WeakPolarHBondContact O-CB 3.2Å; S24-A28 PolarHBondContact O-N 3.43Å |
| 25 | D | 94.3 | Very high | 93.5 | Very high | 72 Ų | 72 | 58.6 Ų | 58.6 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.6 | -41.7 | 177.7 | -65.2 | -26.1 | 0 | 0 | 0 | 111.1 | L4 K21 A22 L23 A28 D29 | L4-D25 HydrophobicContact CD2-CB 4.44Å; K21-D25 VanDerWaalsContact O-CG 3.31Å; K21-D25 PolarHBondContact O-N 2.9Å; A22-D25 WeakPolarHBondContact O-CB 3.46Å; A22-D25 PolarHBondContact O-N 3.4Å; L23-D25 VanDerWaalsContact C-N 3.29Å; L23-D25 PolarHBondContact O-N 3.44Å; D25-A28 PolarHBondContact O-N 3.48Å; D25-D29 PolarHBondContact O-N 3.25Å |
| 26 | H | 94.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 2% | 0.023 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.4 | -48 | 172.2 | -81.4 | -90.3 | 0 | 0 | 0 | 112.2 | L4 S5 L7 A22 L23 A28 D29 L30 I193 H197 | L4-H26 VanDerWaalsContact CB-CE1 3.42Å; L4-H26 WeakPolarHBondContact CB-CE1 3.44Å; L4-H26 HydrophobicContact CD1-CB 4.38Å; S5-H26 PolarHBondContact O-CE1 3.41Å; S5-H26 PolarHBondContact O-NE2 3.32Å; L7-H26 HydrophobicContact CD1-CB 4.22Å; A22-H26 PolarHBondContact O-CD2 2.84Å; A22-H26 PolarHBondContact O-N 3.24Å; L23-H26 WeakPolarHBondContact O-CB 3.39Å; L23-H26 PolarHBondContact O-N 3.07Å; H26-A28 VanDerWaalsContact C-N 3.33Å; H26-A28 PolarHBondContact O-N 3.44Å; H26-D29 PolarHBondContact O-N 2.84Å; H26-L30 WeakPolarHBondContact O-CG 3.32Å; H26-L30 PolarHBondContact O-N 3.36Å; H26-I193 HydrophobicContact CB-CG2 3.93Å; H26-H197 AromaticContact CE1-NE2 3.96Å; H26-H197 AromaticContact CG-NE2 3.6Å; H26-H197 AromaticContact ND1-CD2 3.27Å; H26-H197 PolarHBondContact ND1-CD2 3.5Å; H26-H197 VanDerWaalsContact ND1-CD2 3.27Å; H26-H197 AromaticContact ND1-CE1 3.5Å; H26-H197 PolarHBondContact ND1-CE1 3.03Å; H26-H197 AromaticContact ND1-NE2 2.85Å; H26-H197 PolarHBondContact ND1-NE2 3.04Å |
| 27 | E | 93 | Very high | 93.6 | Very high | 48 Ų | 48 | 62.2 Ų | 62.2 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 177 | -72.8 | 174.7 | 178.6 | 0 | 0 | 111.9 | L23 S24 L30 K31 V142 Y189 | L23-E27 HydrophobicContact CD1-CG 4.36Å; L23-E27 HydrophobicContact CG-CG 4.5Å; L23-E27 WeakPolarHBondContact O-CG 3.31Å; L23-E27 PolarHBondContact O-N 3.16Å; S24-E27 PolarHBondContact O-N 2.9Å; E27-L30 PolarHBondContact O-N 3.2Å; E27-K31 VanDerWaalsContact O-CB 3.3Å; E27-K31 WeakPolarHBondContact O-CB 3.15Å; E27-K31 PolarHBondContact O-N 3.4Å; E27-V142 HydrophobicContact CG-CG2 4.41Å; E27-Y189 PolarHBondContact OE1-OH 3.35Å |
| 28 | A | 92.2 | Very high | 93.6 | Very high | 50 Ų | 50 | 61.7 Ų | 61.7 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S24 D25 H26 T32 | S24-A28 VanDerWaalsContact O-CB 3.31Å; S24-A28 WeakPolarHBondContact O-CB 3.2Å; S24-A28 PolarHBondContact O-N 3.43Å; D25-A28 PolarHBondContact O-N 3.48Å; H26-A28 VanDerWaalsContact C-N 3.33Å; H26-A28 PolarHBondContact O-N 3.44Å; A28-T32 WeakPolarHBondContact O-CB 3.37Å; A28-T32 PolarHBondContact O-N 2.93Å; A28-T32 PolarHBondContact O-OG1 3.32Å |
| 29 | D | 93.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -47 | 175.2 | 175 | 64.6 | 0 | 0 | 0 | 111.6 | P2 L4 D25 H26 K31 T32 A33 H197 K200 | P2-D29 VanDerWaalsContact CD-OD1 3.28Å; P2-D29 WeakPolarHBondContact CD-OD1 3.45Å; P2-D29 HydrophobicContact CG-CB 4.28Å; P2-D29 WeakPolarHBondContact CG-OD1 3.45Å; L4-D29 HydrophobicContact CD1-CB 4.01Å; D25-D29 PolarHBondContact O-N 3.25Å; H26-D29 PolarHBondContact O-N 2.84Å; D29-K31 VanDerWaalsContact C-N 3.32Å; D29-K31 PolarHBondContact O-N 3.49Å; D29-T32 WeakPolarHBondContact O-CB 3.45Å; D29-T32 PolarHBondContact O-N 2.94Å; D29-T32 VanDerWaalsContact O-N 3.1Å; D29-A33 WeakPolarHBondContact O-CB 3.41Å; D29-A33 PolarHBondContact O-N 3.43Å; D29-H197 IonicContact OD2-CE1 2.8Å; D29-H197 PolarHBondContact OD2-CE1 3.28Å; D29-H197 IonicContact OD2-ND1 3.79Å; D29-K200 IonicContact OD1-NZ 2.63Å; D29-K200 IonicContact OD2-NZ 3.52Å; D29-K200 PolarHBondContact OD2-NZ 3.36Å |
| 30 | L | 93.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 176.5 | -70 | -179.9 | 0 | 0 | 0 | 112 | H26 E27 T32 A33 N34 L135 T140 I193 A196 | H26-L30 WeakPolarHBondContact O-CG 3.32Å; H26-L30 PolarHBondContact O-N 3.36Å; E27-L30 PolarHBondContact O-N 3.2Å; L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 2.84Å; L30-A33 PolarHBondContact O-N 2.95Å; L30-N34 WeakPolarHBondContact O-CB 3.28Å; L30-N34 PolarHBondContact O-N 3.3Å; L30-L135 HydrophobicContact CD2-CD2 3.79Å; L30-T140 HydrophobicContact CD1-CG2 4.25Å; L30-I193 HydrophobicContact CD1-CD1 3.59Å; L30-I193 HydrophobicContact CD1-CG2 4.26Å; L30-A196 HydrophobicContact CD1-CB 4.02Å; L30-A196 HydrophobicContact CD2-CB 4.04Å |
| 31 | K | 91.4 | Very high | 93.9 | Very high | 140 Ų | 140 | 57.3 Ų | 57.3 | 61% | 0.609 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.3 | -37.8 | 174.8 | -174.6 | 175.3 | -176.3 | 178.8 | 0 | 112.2 | E27 D29 K35 | E27-K31 VanDerWaalsContact O-CB 3.3Å; E27-K31 WeakPolarHBondContact O-CB 3.15Å; E27-K31 PolarHBondContact O-N 3.4Å; D29-K31 VanDerWaalsContact C-N 3.32Å; D29-K31 PolarHBondContact O-N 3.49Å; K31-K35 PolarHBondContact O-N 2.92Å |
| 32 | T | 92.3 | Very high | 94.1 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 47% | 0.466 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.4 | -45.4 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | A28 D29 L30 N34 K35 K36 | A28-T32 WeakPolarHBondContact O-CB 3.37Å; A28-T32 PolarHBondContact O-N 2.93Å; A28-T32 PolarHBondContact O-OG1 3.32Å; D29-T32 WeakPolarHBondContact O-CB 3.45Å; D29-T32 PolarHBondContact O-N 2.94Å; D29-T32 VanDerWaalsContact O-N 3.1Å; L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 2.84Å; T32-N34 VanDerWaalsContact C-N 3.33Å; T32-N34 PolarHBondContact O-N 3.17Å; T32-K35 WeakPolarHBondContact O-CB 3.36Å; T32-K35 PolarHBondContact O-N 3.47Å; T32-K36 WeakPolarHBondContact O-CG 3.38Å; T32-K36 PolarHBondContact O-N 3.3Å |
| 33 | A | 92.3 | Very high | 94.2 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D29 L30 K35 K36 V37 L135 K200 | D29-A33 WeakPolarHBondContact O-CB 3.41Å; D29-A33 PolarHBondContact O-N 3.43Å; L30-A33 PolarHBondContact O-N 2.95Å; A33-K35 VanDerWaalsContact C-N 3.3Å; A33-K35 PolarHBondContact O-N 3.42Å; A33-K36 PolarHBondContact O-N 3.27Å; A33-K36 VanDerWaalsContact O-N 3.09Å; A33-V37 WeakPolarHBondContact O-CG2 3.34Å; A33-V37 PolarHBondContact O-N 2.85Å; A33-L135 HydrophobicContact CB-CD1 4.28Å; A33-L135 HydrophobicContact CB-CD2 4.3Å; A33-K200 HydrophobicContact CB-CD 3.56Å; A33-K200 HydrophobicContact CB-CG 4.37Å |
| 34 | N | 93.5 | Very high | 94.3 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.8 | -45.4 | 176 | -172.6 | -84.9 | 0 | 0 | 0 | 112.2 | L30 T32 K38 R131 L135 G136 | L30-N34 WeakPolarHBondContact O-CB 3.28Å; L30-N34 PolarHBondContact O-N 3.3Å; T32-N34 VanDerWaalsContact C-N 3.33Å; T32-N34 PolarHBondContact O-N 3.17Å; N34-K38 WeakPolarHBondContact O-CB 3.31Å; N34-K38 PolarHBondContact O-N 2.75Å; N34-R131 PolarHBondContact ND2-O 3.46Å; N34-L135 HydrophobicContact CB-CB 3.87Å; N34-G136 PolarHBondContact ND2-N 3.28Å |
| 35 | K | 93.5 | Very high | 94.5 | Very high | 138 Ų | 138 | 59.3 Ų | 59.3 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 176.9 | -68.5 | 176.7 | -179.1 | -179.6 | 0 | 111.7 | K31 T32 A33 K38 S39 | K31-K35 PolarHBondContact O-N 2.92Å; T32-K35 WeakPolarHBondContact O-CB 3.36Å; T32-K35 PolarHBondContact O-N 3.47Å; A33-K35 VanDerWaalsContact C-N 3.3Å; A33-K35 PolarHBondContact O-N 3.42Å; K35-K38 WeakPolarHBondContact O-CB 3.28Å; K35-K38 PolarHBondContact O-N 3.49Å; K35-S39 PolarHBondContact O-N 2.84Å |
| 36 | K | 93.4 | Very high | 94.7 | Very high | 148 Ų | 148 | 63.6 Ų | 63.6 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.7 | -46.8 | 179.6 | -65.1 | -66.8 | -175.9 | 176.4 | 0 | 111.6 | T32 A33 K38 S39 V40 | T32-K36 WeakPolarHBondContact O-CG 3.38Å; T32-K36 PolarHBondContact O-N 3.3Å; A33-K36 PolarHBondContact O-N 3.27Å; A33-K36 VanDerWaalsContact O-N 3.09Å; K36-K38 VanDerWaalsContact C-N 3.29Å; K36-K38 PolarHBondContact O-N 3.49Å; K36-S39 VanDerWaalsContact O-CB 3.28Å; K36-S39 WeakPolarHBondContact O-CB 3.48Å; K36-S39 PolarHBondContact O-N 3.06Å; K36-V40 PolarHBondContact O-N 3.43Å |
| 37 | V | 94.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.6 | -36 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | A33 S39 V40 L41 R131 L135 F204 | A33-V37 WeakPolarHBondContact O-CG2 3.34Å; A33-V37 PolarHBondContact O-N 2.85Å; V37-S39 VanDerWaalsContact C-N 3.32Å; V37-S39 PolarHBondContact O-N 3.44Å; V37-V40 PolarHBondContact O-N 3.25Å; V37-L41 WeakPolarHBondContact O-CB 3.4Å; V37-L41 PolarHBondContact O-N 2.85Å; V37-R131 HydrophobicContact CG1-CB 4.08Å; V37-L135 HydrophobicContact CB-CD1 3.97Å; V37-L135 HydrophobicContact CG1-CD1 4.38Å; V37-L135 HydrophobicContact CG2-CD1 3.55Å; V37-F204 HydrophobicContact CG1-CD2 4.45Å; V37-F204 HydrophobicContact CG1-CE2 4.41Å; V37-F204 HydrophobicContact CG2-CD2 3.9Å; V37-F204 HydrophobicContact CG2-CE2 3.85Å; V37-F204 HydrophobicContact CG2-CZ 4.46Å |
| 38 | K | 95.1 | Very high | 95 | Very high | 102 Ų | 102 | 64.5 Ų | 64.5 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 171.2 | -173.4 | -177.2 | -178.5 | -175.4 | 0 | 112.1 | N34 K35 K36 L41 V42 | N34-K38 WeakPolarHBondContact O-CB 3.31Å; N34-K38 PolarHBondContact O-N 2.75Å; K35-K38 WeakPolarHBondContact O-CB 3.28Å; K35-K38 PolarHBondContact O-N 3.49Å; K36-K38 VanDerWaalsContact C-N 3.29Å; K36-K38 PolarHBondContact O-N 3.49Å; K38-L41 PolarHBondContact O-N 3.46Å; K38-V42 WeakPolarHBondContact O-CG2 3.4Å; K38-V42 PolarHBondContact O-N 3.25Å |
| 39 | S | 96.1 | Very high | 95.3 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.3 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | K35 K36 V37 V42 N43 | K35-S39 PolarHBondContact O-N 2.84Å; K36-S39 VanDerWaalsContact O-CB 3.28Å; K36-S39 WeakPolarHBondContact O-CB 3.48Å; K36-S39 PolarHBondContact O-N 3.06Å; V37-S39 VanDerWaalsContact C-N 3.32Å; V37-S39 PolarHBondContact O-N 3.44Å; S39-V42 PolarHBondContact O-N 3.18Å; S39-N43 PolarHBondContact O-N 3.37Å; S39-N43 PolarHBondContact O-ND2 2.95Å |
| 40 | V | 96.2 | Very high | 95.5 | Very high | 46 Ų | 46 | 68.6 Ų | 68.6 | 28% | 0.279 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59 | -50.4 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | K36 V37 V42 N43 T44 L127 F204 | K36-V40 PolarHBondContact O-N 3.43Å; V37-V40 PolarHBondContact O-N 3.25Å; V40-V42 VanDerWaalsContact C-N 3.34Å; V40-V42 PolarHBondContact O-N 3.42Å; V40-N43 PolarHBondContact O-N 2.7Å; V40-N43 VanDerWaalsContact O-N 3.13Å; V40-T44 WeakPolarHBondContact O-CB 3.49Å; V40-T44 PolarHBondContact O-N 3.06Å; V40-T44 PolarHBondContact O-OG1 2.93Å; V40-L127 HydrophobicContact CG1-CD1 4.39Å; V40-F204 HydrophobicContact CB-CE2 4.43Å; V40-F204 HydrophobicContact CG1-CE2 4.16Å; V40-F204 HydrophobicContact CG1-CZ 4.34Å; V40-F204 HydrophobicContact CG2-CZ 4.15Å |
| 41 | L | 96.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 69.6 Ų | 69.6 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.8 | -45.7 | 177.7 | 174.2 | 65 | 0 | 0 | 0 | 112.9 | V37 K38 R45 L124 L127 | V37-L41 WeakPolarHBondContact O-CB 3.4Å; V37-L41 PolarHBondContact O-N 2.85Å; K38-L41 PolarHBondContact O-N 3.46Å; L41-R45 PolarHBondContact O-N 3.49Å; L41-R45 VanDerWaalsContact O-N 3.07Å; L41-L124 HydrophobicContact CD1-CD2 3.8Å; L41-L127 HydrophobicContact CB-CB 4.35Å; L41-L127 HydrophobicContact CD1-CB 3.73Å; L41-L127 HydrophobicContact CD1-CD1 4.37Å |
| 42 | V | 97.6 | Very high | 96 | Very high | 63 Ų | 63 | 65.9 Ų | 65.9 | 38% | 0.382 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 178.5 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | K38 S39 V40 R45 R46 | K38-V42 WeakPolarHBondContact O-CG2 3.4Å; K38-V42 PolarHBondContact O-N 3.25Å; S39-V42 PolarHBondContact O-N 3.18Å; V40-V42 VanDerWaalsContact C-N 3.34Å; V40-V42 PolarHBondContact O-N 3.42Å; V42-R45 PolarHBondContact O-N 3.32Å; V42-R46 WeakPolarHBondContact O-CG 3.5Å; V42-R46 PolarHBondContact O-N 3.44Å; V42-R46 VanDerWaalsContact O-N 3.12Å |
| 43 | N | 97.3 | Very high | 96.2 | Very high | 75 Ų | 75 | 66.2 Ų | 66.2 | 40% | 0.401 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.8 | -38.8 | 179.9 | -70 | -23 | 0 | 0 | 0 | 112.1 | S39 V40 R45 R46 V47 | S39-N43 PolarHBondContact O-N 3.37Å; S39-N43 PolarHBondContact O-ND2 2.95Å; V40-N43 PolarHBondContact O-N 2.7Å; V40-N43 VanDerWaalsContact O-N 3.13Å; N43-R45 VanDerWaalsContact C-N 3.29Å; N43-R45 PolarHBondContact O-N 2.94Å; N43-R46 WeakPolarHBondContact O-CB 3.4Å; N43-R46 PolarHBondContact O-N 3.3Å; N43-R46 VanDerWaalsContact O-N 3.17Å; N43-V47 WeakPolarHBondContact O-CG2 3.31Å; N43-V47 PolarHBondContact O-N 3.44Å |
| 44 | T | 97.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 69.9 Ų | 69.9 | 9% | 0.092 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58 | -43.2 | 173.5 | -61 | 0 | 0 | 0 | 0 | 110.8 | V40 V47 F48 I123 L124 L127 I211 | V40-T44 WeakPolarHBondContact O-CB 3.49Å; V40-T44 PolarHBondContact O-N 3.06Å; V40-T44 PolarHBondContact O-OG1 2.93Å; T44-V47 PolarHBondContact O-N 3.48Å; T44-F48 HydrophobicContact CG2-CD2 3.93Å; T44-F48 HydrophobicContact CG2-CE2 3.74Å; T44-F48 VanDerWaalsContact O-CD2 3.27Å; T44-F48 WeakPolarHBondContact O-CD2 3.41Å; T44-F48 PolarHBondContact O-N 3.33Å; T44-I123 HydrophobicContact CG2-CG2 3.82Å; T44-L124 HydrophobicContact CG2-CD2 4.07Å; T44-L127 HydrophobicContact CG2-CD1 4.26Å; T44-I211 HydrophobicContact CG2-CD1 4.05Å |
| 45 | R | 97.5 | Very high | 96.7 | Very high | 123 Ų | 123 | 68.7 Ų | 68.7 | 46% | 0.464 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 174.3 | -177.8 | 178.6 | -60.5 | 175.4 | -1 | 112.1 | L41 V42 N43 V47 F48 E49 L124 | L41-R45 PolarHBondContact O-N 3.49Å; L41-R45 VanDerWaalsContact O-N 3.07Å; V42-R45 PolarHBondContact O-N 3.32Å; N43-R45 VanDerWaalsContact C-N 3.29Å; N43-R45 PolarHBondContact O-N 2.94Å; R45-V47 VanDerWaalsContact C-N 3.27Å; R45-V47 PolarHBondContact O-N 3Å; R45-F48 PolarHBondContact O-N 3.43Å; R45-F48 VanDerWaalsContact O-N 3.16Å; R45-E49 WeakPolarHBondContact CD-OE1 3.44Å; R45-E49 HydrophobicContact CG-CG 4.44Å; R45-E49 VanDerWaalsContact CG-OE1 3.27Å; R45-E49 WeakPolarHBondContact CG-OE1 3.49Å; R45-E49 WeakPolarHBondContact O-CG 3.28Å; R45-E49 PolarHBondContact O-N 2.92Å; R45-L124 HydrophobicContact CB-CD2 4.03Å |
| 46 | R | 97.9 | Very high | 96.9 | Very high | 161 Ų | 161 | 66.1 Ų | 66.1 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59 | -39 | 177.2 | -72.3 | 176.8 | 174.5 | -170.5 | -3.9 | 112.4 | V42 N43 E49 A50 | V42-R46 WeakPolarHBondContact O-CG 3.5Å; V42-R46 PolarHBondContact O-N 3.44Å; V42-R46 VanDerWaalsContact O-N 3.12Å; N43-R46 WeakPolarHBondContact O-CB 3.4Å; N43-R46 PolarHBondContact O-N 3.3Å; N43-R46 VanDerWaalsContact O-N 3.17Å; R46-E49 PolarHBondContact O-N 3.07Å; R46-A50 VanDerWaalsContact O-CB 3.31Å; R46-A50 WeakPolarHBondContact O-CB 3.48Å; R46-A50 PolarHBondContact O-N 3.4Å |
| 47 | V | 96.8 | Very high | 97.1 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | N43 T44 R45 A50 M51 | N43-V47 WeakPolarHBondContact O-CG2 3.31Å; N43-V47 PolarHBondContact O-N 3.44Å; T44-V47 PolarHBondContact O-N 3.48Å; R45-V47 VanDerWaalsContact C-N 3.27Å; R45-V47 PolarHBondContact O-N 3Å; V47-A50 PolarHBondContact O-N 3.32Å; V47-M51 HydrophobicContact CG1-CE 3.74Å; V47-M51 HydrophobicContact CG1-CG 4.48Å; V47-M51 HydrophobicContact CG1-SD 4.29Å; V47-M51 VanDerWaalsContact O-CG 3.3Å; V47-M51 WeakPolarHBondContact O-CG 3.25Å; V47-M51 PolarHBondContact O-N 3.49Å |
| 48 | F | 97.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.2 | -81.5 | -67.3 | 0 | 0 | 0 | 113 | T44 R45 A50 M51 E52 I116 K120 I123 M214 | T44-F48 HydrophobicContact CG2-CD2 3.93Å; T44-F48 HydrophobicContact CG2-CE2 3.74Å; T44-F48 VanDerWaalsContact O-CD2 3.27Å; T44-F48 WeakPolarHBondContact O-CD2 3.41Å; T44-F48 PolarHBondContact O-N 3.33Å; R45-F48 PolarHBondContact O-N 3.43Å; R45-F48 VanDerWaalsContact O-N 3.16Å; F48-A50 VanDerWaalsContact C-N 3.32Å; F48-A50 PolarHBondContact O-N 3.11Å; F48-M51 HydrophobicContact CD1-CE 3.49Å; F48-M51 VanDerWaalsContact CD1-CE 3.49Å; F48-M51 HydrophobicContact CE1-CE 3.8Å; F48-M51 HydrophobicContact CG-CE 4.07Å; F48-M51 PolarHBondContact O-N 3.27Å; F48-E52 WeakPolarHBondContact O-CG 3.36Å; F48-E52 PolarHBondContact O-N 3.47Å; F48-I116 HydrophobicContact CD1-CG1 4.47Å; F48-I116 HydrophobicContact CD1-CG2 3.95Å; F48-I116 HydrophobicContact CE1-CG2 4.4Å; F48-K120 HydrophobicContact CB-CD 4.13Å; F48-K120 HydrophobicContact CB-CG 4.09Å; F48-K120 HydrophobicContact CD1-CB 3.88Å; F48-K120 HydrophobicContact CD1-CG 4.08Å; F48-K120 HydrophobicContact CD2-CB 4.47Å; F48-K120 HydrophobicContact CD2-CG 4.17Å; F48-K120 HydrophobicContact CE1-CB 3.98Å; F48-K120 HydrophobicContact CG-CB 4.15Å; F48-K120 HydrophobicContact CG-CD 4.36Å; F48-K120 HydrophobicContact CG-CG 3.86Å; F48-K120 HydrophobicContact CZ-CB 4.33Å; F48-I123 HydrophobicContact CE2-CB 4.46Å; F48-I123 HydrophobicContact CE2-CD1 4.39Å; F48-I123 HydrophobicContact CE2-CG2 4.35Å; F48-I123 HydrophobicContact CZ-CD1 3.95Å; F48-M214 HydrophobicContact CE1-CE 4.06Å; F48-M214 HydrophobicContact CE1-SD 4.03Å; F48-M214 HydrophobicContact CZ-CE 4.02Å; F48-M214 HydrophobicContact CZ-SD 4.03Å |
| 49 | E | 97.2 | Very high | 97.5 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 176.7 | -70.5 | 165.3 | 179.1 | 0 | 0 | 111.6 | R45 R46 E52 S53 | R45-E49 WeakPolarHBondContact CD-OE1 3.44Å; R45-E49 HydrophobicContact CG-CG 4.44Å; R45-E49 VanDerWaalsContact CG-OE1 3.27Å; R45-E49 WeakPolarHBondContact CG-OE1 3.49Å; R45-E49 WeakPolarHBondContact O-CG 3.28Å; R45-E49 PolarHBondContact O-N 2.92Å; R46-E49 PolarHBondContact O-N 3.07Å; E49-E52 PolarHBondContact O-N 3.36Å; E49-S53 WeakPolarHBondContact O-CB 3.5Å; E49-S53 PolarHBondContact O-N 3.32Å |
| 50 | A | 97.8 | Very high | 97.6 | Very high | 59 Ų | 59 | 60 Ų | 60 | 49% | 0.488 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R46 V47 F48 E52 S53 L54 | R46-A50 VanDerWaalsContact O-CB 3.31Å; R46-A50 WeakPolarHBondContact O-CB 3.48Å; R46-A50 PolarHBondContact O-N 3.4Å; V47-A50 PolarHBondContact O-N 3.32Å; F48-A50 VanDerWaalsContact C-N 3.32Å; F48-A50 PolarHBondContact O-N 3.11Å; A50-E52 VanDerWaalsContact C-N 3.35Å; A50-S53 PolarHBondContact O-N 3.27Å; A50-L54 WeakPolarHBondContact O-CB 3.29Å; A50-L54 PolarHBondContact O-N 3.47Å |
| 51 | M | 96.8 | Very high | 97.7 | Very high | 27 Ų | 27 | 63.6 Ų | 63.6 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 176.5 | -72.6 | -172.4 | -65.3 | 0 | 0 | 111.9 | V47 F48 N55 M115 I116 M214 L215 | V47-M51 HydrophobicContact CG1-CE 3.74Å; V47-M51 HydrophobicContact CG1-CG 4.48Å; V47-M51 HydrophobicContact CG1-SD 4.29Å; V47-M51 VanDerWaalsContact O-CG 3.3Å; V47-M51 WeakPolarHBondContact O-CG 3.25Å; V47-M51 PolarHBondContact O-N 3.49Å; F48-M51 HydrophobicContact CD1-CE 3.49Å; F48-M51 VanDerWaalsContact CD1-CE 3.49Å; F48-M51 HydrophobicContact CE1-CE 3.8Å; F48-M51 HydrophobicContact CG-CE 4.07Å; F48-M51 PolarHBondContact O-N 3.27Å; M51-N55 VanDerWaalsContact O-CB 3.24Å; M51-N55 WeakPolarHBondContact O-CB 3.47Å; M51-N55 PolarHBondContact O-N 3.14Å; M51-M115 HydrophobicContact CE-CE 4.42Å; M51-M115 HydrophobicContact SD-CE 3.9Å; M51-I116 HydrophobicContact CB-CD1 3.63Å; M51-I116 HydrophobicContact CB-CG1 4.4Å; M51-I116 HydrophobicContact CE-CG1 4.46Å; M51-M214 HydrophobicContact CE-CE 4.28Å; M51-L215 HydrophobicContact SD-CD2 4.09Å |
| 52 | E | 97.2 | Very high | 97.8 | Very high | 62 Ų | 62 | 63.1 Ų | 63.1 | 29% | 0.29 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 174.1 | -72.6 | 169.5 | 166.6 | 0 | 0 | 111.6 | F48 E49 A50 N55 Q56 I116 K120 | F48-E52 WeakPolarHBondContact O-CG 3.36Å; F48-E52 PolarHBondContact O-N 3.47Å; E49-E52 PolarHBondContact O-N 3.36Å; A50-E52 VanDerWaalsContact C-N 3.35Å; E52-N55 WeakPolarHBondContact O-CB 3.33Å; E52-N55 PolarHBondContact O-N 3.15Å; E52-Q56 PolarHBondContact O-N 3.44Å; E52-I116 HydrophobicContact CG-CD1 4.27Å; E52-I116 HydrophobicContact CG-CG2 3.98Å; E52-K120 VanDerWaalsContact OE1-CD 3.23Å; E52-K120 WeakPolarHBondContact OE1-CD 3.46Å; E52-K120 WeakPolarHBondContact OE1-CE 3.2Å; E52-K120 IonicContact OE1-NZ 3.65Å; E52-K120 PolarHBondContact OE1-NZ 3.36Å; E52-K120 IonicContact OE2-NZ 2.56Å; E52-K120 PolarHBondContact OE2-NZ 3.2Å |
| 53 | S | 97.8 | Very high | 97.8 | Very high | 83 Ų | 83 | 65.3 Ų | 65.3 | 58% | 0.58 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 176.8 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | E49 A50 Q56 A57 | E49-S53 WeakPolarHBondContact O-CB 3.5Å; E49-S53 PolarHBondContact O-N 3.32Å; A50-S53 PolarHBondContact O-N 3.27Å; S53-Q56 PolarHBondContact O-N 2.86Å; S53-A57 WeakPolarHBondContact O-CB 3.25Å; S53-A57 PolarHBondContact O-N 3.41Å |
| 54 | L | 97.5 | Very high | 97.8 | Very high | 88 Ų | 88 | 65.1 Ų | 65.1 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 176.8 | 178.9 | 63.1 | 0 | 0 | 0 | 111.1 | A50 A57 L58 | A50-L54 WeakPolarHBondContact O-CB 3.29Å; A50-L54 PolarHBondContact O-N 3.47Å; L54-A57 PolarHBondContact O-N 2.86Å; L54-L58 HydrophobicContact CD1-CD1 3.92Å; L54-L58 HydrophobicContact CD1-CG 4.25Å; L54-L58 HydrophobicContact CG-CD1 4.01Å; L54-L58 PolarHBondContact O-N 3.43Å |
| 55 | N | 97.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.1 | -49.7 | 175.7 | -177.6 | -113.3 | 0 | 0 | 0 | 111.5 | M51 E52 L58 I59 E109 R113 | M51-N55 VanDerWaalsContact O-CB 3.24Å; M51-N55 WeakPolarHBondContact O-CB 3.47Å; M51-N55 PolarHBondContact O-N 3.14Å; E52-N55 WeakPolarHBondContact O-CB 3.33Å; E52-N55 PolarHBondContact O-N 3.15Å; N55-L58 PolarHBondContact O-N 2.99Å; N55-I59 VanDerWaalsContact O-CG1 3.32Å; N55-I59 WeakPolarHBondContact O-CG1 3.5Å; N55-I59 PolarHBondContact O-N 3.24Å; N55-E109 WeakPolarHBondContact CA-OE2 3.35Å; N55-E109 WeakPolarHBondContact ND2-CB 3.37Å; N55-E109 PolarHBondContact ND2-O 3.33Å; N55-E109 PolarHBondContact ND2-OE2 3.16Å; N55-R113 VanDerWaalsContact OD1-CZ 3.22Å; N55-R113 PolarHBondContact OD1-NH2 3.42Å |
| 56 | Q | 97.8 | Very high | 97.7 | Very high | 85 Ų | 85 | 62.3 Ų | 62.3 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 178.4 | -168.3 | 60.4 | 48.2 | 0 | 0 | 111.9 | E52 S53 L58 I59 D60 | E52-Q56 PolarHBondContact O-N 3.44Å; S53-Q56 PolarHBondContact O-N 2.86Å; Q56-L58 VanDerWaalsContact C-N 3.28Å; Q56-L58 PolarHBondContact O-N 2.88Å; Q56-I59 PolarHBondContact O-N 3.19Å; Q56-I59 VanDerWaalsContact O-N 3.14Å; Q56-D60 PolarHBondContact NE2-OD1 3.48Å; Q56-D60 PolarHBondContact O-N 3.45Å |
| 57 | A | 98.6 | Very high | 97.5 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 45% | 0.446 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -37 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S53 L54 Y61 | S53-A57 WeakPolarHBondContact O-CB 3.25Å; S53-A57 PolarHBondContact O-N 3.41Å; L54-A57 PolarHBondContact O-N 2.86Å; A57-Y61 WeakPolarHBondContact O-CB 3.17Å; A57-Y61 PolarHBondContact O-N 3.43Å |
| 58 | L | 98.5 | Very high | 97.3 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -76 | -32 | 177.5 | -75.9 | 169.4 | 0 | 0 | 0 | 112.8 | L54 N55 Q56 Y61 A62 I105 E109 | L54-L58 HydrophobicContact CD1-CD1 3.92Å; L54-L58 HydrophobicContact CD1-CG 4.25Å; L54-L58 HydrophobicContact CG-CD1 4.01Å; L54-L58 PolarHBondContact O-N 3.43Å; N55-L58 PolarHBondContact O-N 2.99Å; Q56-L58 VanDerWaalsContact C-N 3.28Å; Q56-L58 PolarHBondContact O-N 2.88Å; L58-Y61 PolarHBondContact O-N 3.43Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.07Å; L58-I105 HydrophobicContact CB-CG2 4.09Å; L58-I105 WeakPolarHBondContact O-CG2 3.3Å; L58-E109 HydrophobicContact CB-CG 3.68Å; L58-E109 HydrophobicContact CD1-CG 4.24Å; L58-E109 WeakPolarHBondContact CD1-OE1 3.41Å |
| 59 | I | 98.3 | Very high | 97 | Very high | 18 Ų | 18 | 62.5 Ų | 62.5 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 170.1 | -68.6 | -65.8 | 0 | 0 | 0 | 110.4 | N55 Q56 Y61 A62 E63 T106 E109 | N55-I59 VanDerWaalsContact O-CG1 3.32Å; N55-I59 WeakPolarHBondContact O-CG1 3.5Å; N55-I59 PolarHBondContact O-N 3.24Å; Q56-I59 PolarHBondContact O-N 3.19Å; Q56-I59 VanDerWaalsContact O-N 3.14Å; I59-Y61 PolarHBondContact O-N 3.44Å; I59-A62 WeakPolarHBondContact O-CB 3.42Å; I59-A62 PolarHBondContact O-N 3.39Å; I59-E63 WeakPolarHBondContact O-CG 3.28Å; I59-E63 PolarHBondContact O-N 2.78Å; I59-T106 HydrophobicContact CD1-CG2 4.2Å; I59-E109 HydrophobicContact CD1-CB 3.69Å; I59-E109 HydrophobicContact CG1-CB 4.06Å |
| 60 | D | 98.5 | Very high | 96.6 | Very high | 71 Ų | 71 | 63.1 Ų | 63.1 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -36.8 | 177.8 | -60.2 | -13.8 | 0 | 0 | 0 | 111.5 | Q56 E63 S64 | Q56-D60 PolarHBondContact NE2-OD1 3.48Å; Q56-D60 PolarHBondContact O-N 3.45Å; D60-E63 PolarHBondContact O-N 2.93Å; D60-S64 PolarHBondContact O-N 3.31Å; D60-S64 PolarHBondContact O-OG 3.34Å |
| 61 | Y | 98.6 | Very high | 96.1 | Very high | 122 Ų | 122 | 67.2 Ų | 67.2 | 48% | 0.478 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 173.3 | 176.8 | -114.3 | 0 | 0 | 0 | 112 | A57 L58 I59 E63 S64 L65 I105 | A57-Y61 WeakPolarHBondContact O-CB 3.17Å; A57-Y61 PolarHBondContact O-N 3.43Å; L58-Y61 PolarHBondContact O-N 3.43Å; I59-Y61 PolarHBondContact O-N 3.44Å; Y61-E63 VanDerWaalsContact C-N 3.34Å; Y61-E63 PolarHBondContact O-N 3.45Å; Y61-S64 WeakPolarHBondContact O-CB 3.39Å; Y61-S64 PolarHBondContact O-N 2.73Å; Y61-L65 HydrophobicContact CD1-CD1 4.31Å; Y61-L65 HydrophobicContact CE1-CD1 3.77Å; Y61-L65 HydrophobicContact CE1-CG 4.38Å; Y61-L65 HydrophobicContact CE2-CD2 4.28Å; Y61-L65 HydrophobicContact CE2-CG 4.36Å; Y61-L65 WeakPolarHBondContact O-CG 3.4Å; Y61-L65 PolarHBondContact O-N 3.01Å; Y61-L65 VanDerWaalsContact O-N 3.11Å; Y61-I105 HydrophobicContact CD1-CD1 3.8Å; Y61-I105 HydrophobicContact CE1-CD1 3.71Å |
| 62 | A | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L58 I59 L65 N66 A102 I105 | L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.07Å; I59-A62 WeakPolarHBondContact O-CB 3.42Å; I59-A62 PolarHBondContact O-N 3.39Å; A62-L65 WeakPolarHBondContact O-CB 3.41Å; A62-L65 PolarHBondContact O-N 2.63Å; A62-N66 PolarHBondContact O-N 2.88Å; A62-A102 HydrophobicContact CB-CB 4.12Å; A62-A102 VanDerWaalsContact O-CB 3.26Å; A62-A102 WeakPolarHBondContact O-CB 3.43Å; A62-I105 HydrophobicContact CB-CB 4.2Å; A62-I105 HydrophobicContact CB-CG2 4.04Å |
| 63 | E | 97.9 | Very high | 94.5 | Very high | 108 Ų | 108 | 67.8 Ų | 67.8 | 51% | 0.505 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 173.5 | -72 | 179.4 | -179.7 | 0 | 0 | 111.4 | I59 D60 Y61 L65 N66 D67 | I59-E63 WeakPolarHBondContact O-CG 3.28Å; I59-E63 PolarHBondContact O-N 2.78Å; D60-E63 PolarHBondContact O-N 2.93Å; Y61-E63 VanDerWaalsContact C-N 3.34Å; Y61-E63 PolarHBondContact O-N 3.45Å; E63-L65 VanDerWaalsContact C-N 3.26Å; E63-L65 PolarHBondContact O-N 3.41Å; E63-N66 PolarHBondContact O-N 3.38Å; E63-N66 VanDerWaalsContact O-N 3.09Å; E63-D67 PolarHBondContact O-N 2.97Å |
| 64 | S | 98 | Very high | 93.6 | Very high | 72 Ų | 72 | 68.9 Ų | 68.9 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.6 | -35.8 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 113 | D60 Y61 F68 | D60-S64 PolarHBondContact O-N 3.31Å; D60-S64 PolarHBondContact O-OG 3.34Å; Y61-S64 WeakPolarHBondContact O-CB 3.39Å; Y61-S64 PolarHBondContact O-N 2.73Å; S64-F68 PolarHBondContact O-N 3.39Å |
| 65 | L | 97.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 174.9 | -67.6 | -179.1 | 0 | 0 | 0 | 111.9 | Y61 A62 E63 F68 S69 L98 A102 I105 | Y61-L65 HydrophobicContact CD1-CD1 4.31Å; Y61-L65 HydrophobicContact CE1-CD1 3.77Å; Y61-L65 HydrophobicContact CE1-CG 4.38Å; Y61-L65 HydrophobicContact CE2-CD2 4.28Å; Y61-L65 HydrophobicContact CE2-CG 4.36Å; Y61-L65 WeakPolarHBondContact O-CG 3.4Å; Y61-L65 PolarHBondContact O-N 3.01Å; Y61-L65 VanDerWaalsContact O-N 3.11Å; A62-L65 WeakPolarHBondContact O-CB 3.41Å; A62-L65 PolarHBondContact O-N 2.63Å; E63-L65 VanDerWaalsContact C-N 3.26Å; E63-L65 PolarHBondContact O-N 3.41Å; L65-F68 PolarHBondContact O-N 3.43Å; L65-S69 PolarHBondContact O-N 3.41Å; L65-L98 HydrophobicContact CB-CB 4.37Å; L65-L98 HydrophobicContact CD2-CD2 4.27Å; L65-A102 HydrophobicContact CB-CB 4.06Å; L65-I105 HydrophobicContact CD1-CD1 4.32Å |
| 66 | N | 95.7 | Very high | 90.5 | Very high | 56 Ų | 56 | 69 Ų | 69 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 176.3 | -86.2 | -31.6 | 0 | 0 | 0 | 111.9 | A62 E63 F68 S69 E70 S99 A102 | A62-N66 PolarHBondContact O-N 2.88Å; E63-N66 PolarHBondContact O-N 3.38Å; E63-N66 VanDerWaalsContact O-N 3.09Å; N66-F68 VanDerWaalsContact C-N 3.26Å; N66-F68 PolarHBondContact O-N 3.44Å; N66-S69 WeakPolarHBondContact O-CB 3.43Å; N66-S69 PolarHBondContact O-N 3.16Å; N66-S69 VanDerWaalsContact O-N 3.09Å; N66-E70 PolarHBondContact O-N 2.98Å; N66-S99 WeakPolarHBondContact OD1-CA 3.42Å; N66-S99 PolarHBondContact OD1-OG 3.42Å; N66-A102 HydrophobicContact CB-CB 4.49Å; N66-A102 WeakPolarHBondContact OD1-CB 3.42Å |
| 67 | D | 94.2 | Very high | 88.5 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.3 | -41.9 | 176.4 | -74.8 | -7.4 | 0 | 0 | 0 | 111.3 | E63 E70 Y71 | E63-D67 PolarHBondContact O-N 2.97Å; D67-E70 PolarHBondContact O-N 3.22Å; D67-Y71 PolarHBondContact O-N 3.5Å |
| 68 | F | 92 | Very high | 86.4 | Confident | 126 Ų | 126 | 73.4 Ų | 73.4 | 55% | 0.553 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -69.3 | -37.2 | 177.4 | -171.5 | -146.5 | 0 | 0 | 0 | 112.4 | S64 L65 N66 Y71 A72 L98 | S64-F68 PolarHBondContact O-N 3.39Å; L65-F68 PolarHBondContact O-N 3.43Å; N66-F68 VanDerWaalsContact C-N 3.26Å; N66-F68 PolarHBondContact O-N 3.44Å; F68-Y71 HydrophobicContact CD2-CD1 4.23Å; F68-Y71 HydrophobicContact CE2-CD1 4.21Å; F68-Y71 PolarHBondContact O-N 3.11Å; F68-A72 PolarHBondContact O-N 3.15Å; F68-A72 VanDerWaalsContact O-N 3.12Å; F68-L98 HydrophobicContact CB-CD1 4.11Å; F68-L98 HydrophobicContact CD1-CD1 3.13Å; F68-L98 HydrophobicContact CE1-CD1 3.71Å; F68-L98 HydrophobicContact CG-CD1 3.89Å |
| 69 | S | 90.7 | Very high | 84.2 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 3% | 0.028 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 172.6 | -161.7 | 0 | 0 | 0 | 0 | 111.7 | L65 N66 A72 H73 | L65-S69 PolarHBondContact O-N 3.41Å; N66-S69 WeakPolarHBondContact O-CB 3.43Å; N66-S69 PolarHBondContact O-N 3.16Å; N66-S69 VanDerWaalsContact O-N 3.09Å; S69-A72 WeakPolarHBondContact O-CB 3.37Å; S69-A72 PolarHBondContact O-N 3.04Å; S69-H73 PolarHBondContact O-CD2 3.4Å; S69-H73 PolarHBondContact O-N 3.43Å; S69-H73 VanDerWaalsContact O-N 3.15Å |
| 70 | E | 89.3 | Confident | 81.7 | Confident | 110 Ų | 110 | 80 Ų | 80 | 51% | 0.514 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 179.3 | -164.5 | -174 | 157.6 | 0 | 0 | 111.2 | N66 D67 A72 H73 Q74 | N66-E70 PolarHBondContact O-N 2.98Å; D67-E70 PolarHBondContact O-N 3.22Å; E70-A72 VanDerWaalsContact C-N 3.3Å; E70-A72 PolarHBondContact O-N 2.83Å; E70-H73 PolarHBondContact O-N 3.35Å; E70-H73 VanDerWaalsContact O-N 3.11Å; E70-Q74 WeakPolarHBondContact O-CG 3.2Å; E70-Q74 PolarHBondContact O-N 3.11Å; E70-Q74 PolarHBondContact OE1-NE2 3.21Å |
| 71 | Y | 86.3 | Confident | 79 | Confident | 145 Ų | 145 | 82 Ų | 82 | 57% | 0.569 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56.6 | -42.4 | 174.1 | 172.7 | -100.5 | 0 | 0 | 0 | 112.6 | D67 F68 H73 Q74 S75 | D67-Y71 PolarHBondContact O-N 3.5Å; F68-Y71 HydrophobicContact CD2-CD1 4.23Å; F68-Y71 HydrophobicContact CE2-CD1 4.21Å; F68-Y71 PolarHBondContact O-N 3.11Å; Y71-H73 VanDerWaalsContact C-N 3.32Å; Y71-H73 PolarHBondContact O-N 2.86Å; Y71-Q74 PolarHBondContact O-N 3.29Å; Y71-S75 PolarHBondContact O-N 3.38Å; Y71-S75 VanDerWaalsContact O-N 3.11Å; Y71-S75 PolarHBondContact O-OG 3.18Å |
| 72 | A | 81.1 | Confident | 76.5 | Confident | 31 Ų | 31 | 84.4 Ų | 84.4 | 26% | 0.256 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F68 S69 E70 T76 K95 | F68-A72 PolarHBondContact O-N 3.15Å; F68-A72 VanDerWaalsContact O-N 3.12Å; S69-A72 WeakPolarHBondContact O-CB 3.37Å; S69-A72 PolarHBondContact O-N 3.04Å; E70-A72 VanDerWaalsContact C-N 3.3Å; E70-A72 PolarHBondContact O-N 2.83Å; A72-T76 PolarHBondContact O-OG1 2.88Å; A72-K95 HydrophobicContact CB-CG 4.29Å; A72-K95 WeakPolarHBondContact O-CE 3.35Å |
| 73 | H | 79.5 | Confident | 74.2 | Confident | 70 Ų | 70 | 90.7 Ų | 90.7 | 32% | 0.324 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.8 | -41.8 | 175.7 | -68.9 | -47.6 | 0 | 0 | 0 | 113.5 | S69 E70 Y71 S75 T76 C77 K95 N96 | S69-H73 PolarHBondContact O-CD2 3.4Å; S69-H73 PolarHBondContact O-N 3.43Å; S69-H73 VanDerWaalsContact O-N 3.15Å; E70-H73 PolarHBondContact O-N 3.35Å; E70-H73 VanDerWaalsContact O-N 3.11Å; Y71-H73 VanDerWaalsContact C-N 3.32Å; Y71-H73 PolarHBondContact O-N 2.86Å; H73-S75 VanDerWaalsContact C-N 3.29Å; H73-S75 PolarHBondContact O-N 2.97Å; H73-T76 PolarHBondContact O-N 3.3Å; H73-C77 PolarHBondContact O-N 3.37Å; H73-K95 VanDerWaalsContact ND1-CE 3.27Å; H73-K95 WeakPolarHBondContact ND1-CE 3.28Å; H73-N96 PolarHBondContact CE1-OD1 2.92Å; H73-N96 PolarHBondContact NE2-OD1 2.63Å |
| 74 | Q | 79 | Confident | 71.9 | Confident | 106 Ų | 106 | 93.6 Ų | 93.6 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 178.7 | -69.4 | 178.1 | 10.9 | 0 | 0 | 111.9 | E70 Y71 T76 C77 | E70-Q74 WeakPolarHBondContact O-CG 3.2Å; E70-Q74 PolarHBondContact O-N 3.11Å; E70-Q74 PolarHBondContact OE1-NE2 3.21Å; Y71-Q74 PolarHBondContact O-N 3.29Å; Q74-T76 VanDerWaalsContact C-N 3.31Å; Q74-T76 PolarHBondContact O-N 2.95Å; Q74-C77 PolarHBondContact O-N 3.25Å |
| 75 | S | 68.5 | Low | 70 | Confident | 49 Ų | 49 | 94.9 Ų | 94.9 | 34% | 0.343 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 179.3 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | Y71 H73 L78 | Y71-S75 PolarHBondContact O-N 3.38Å; Y71-S75 VanDerWaalsContact O-N 3.11Å; Y71-S75 PolarHBondContact O-OG 3.18Å; H73-S75 VanDerWaalsContact C-N 3.29Å; H73-S75 PolarHBondContact O-N 2.97Å; S75-L78 PolarHBondContact O-N 3.47Å |
| 76 | T | 62.1 | Low | 68.6 | Low | 45 Ų | 45 | 95.5 Ų | 95.5 | 28% | 0.276 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.5 | -31.2 | 177.3 | -49.7 | 0 | 0 | 0 | 0 | 112.9 | A72 H73 Q74 L78 S79 K95 | A72-T76 PolarHBondContact O-OG1 2.88Å; H73-T76 PolarHBondContact O-N 3.3Å; Q74-T76 VanDerWaalsContact C-N 3.31Å; Q74-T76 PolarHBondContact O-N 2.95Å; T76-L78 VanDerWaalsContact C-N 3.27Å; T76-L78 PolarHBondContact O-N 3.39Å; T76-S79 PolarHBondContact O-N 3.25Å; T76-S79 PolarHBondContact O-OG 3.41Å; T76-K95 WeakPolarHBondContact OG1-CE 3.44Å; T76-K95 PolarHBondContact OG1-NZ 2.89Å |
| 77 | C | 56.5 | Low | 67.9 | Low | 81 Ų | 81 | 95.8 Ų | 95.8 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -27.9 | 177.2 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | H73 Q74 S79 Q80 | H73-C77 PolarHBondContact O-N 3.37Å; Q74-C77 PolarHBondContact O-N 3.25Å; C77-S79 VanDerWaalsContact C-N 3.33Å; C77-S79 PolarHBondContact O-N 2.63Å; C77-Q80 WeakPolarHBondContact O-CG 3.35Å |
| 78 | L | 54.5 | Low | 67.5 | Low | 151 Ų | 151 | 91.3 Ų | 91.3 | 79% | 0.791 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73.9 | -22.3 | 180 | -68.4 | 169.3 | 0 | 0 | 0 | 113.1 | S75 T76 Q80 | S75-L78 PolarHBondContact O-N 3.47Å; T76-L78 VanDerWaalsContact C-N 3.27Å; T76-L78 PolarHBondContact O-N 3.39Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.13Å |
| 79 | S | 51.7 | Low | 67.3 | Low | 48 Ų | 48 | 87.7 Ų | 87.7 | 34% | 0.336 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 11.4 | -178.9 | 51.7 | 0 | 0 | 0 | 0 | 115.2 | T76 C77 T81 | T76-S79 PolarHBondContact O-N 3.25Å; T76-S79 PolarHBondContact O-OG 3.41Å; C77-S79 VanDerWaalsContact C-N 3.33Å; C77-S79 PolarHBondContact O-N 2.63Å; S79-T81 PolarHBondContact O-N 3.21Å |
| 80 | Q | 44.7 | Very low | 67.4 | Low | 156 Ų | 156 | 88.9 Ų | 88.9 | 73% | 0.729 | 47% | 0.472 | S | S | * | . | trans | -69.1 | 20.7 | -176.7 | -72 | -176.8 | -1.9 | 0 | 0 | 116.1 | C77 L78 D82 | C77-Q80 WeakPolarHBondContact O-CG 3.35Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.13Å; Q80-D82 PolarHBondContact O-N 2.91Å | ||
| 81 | T | 42.9 | Very low | 67.3 | Low | 113 Ų | 113 | 85.8 Ų | 85.8 | 69% | 0.693 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -83.3 | 95.1 | 169.6 | 52 | 0 | 0 | 0 | 0 | 110 | S79 N83 | S79-T81 PolarHBondContact O-N 3.21Å; T81-N83 PolarHBondContact O-N 3.33Å |
| 82 | D | 46.8 | Very low | 67.5 | Low | 171 Ų | 171 | 82.2 Ų | 82.2 | 91% | 0.914 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 50.4 | -11.5 | 164.8 | -64 | -29.5 | 0 | 0 | 0 | 119.9 | Q80 | Q80-D82 PolarHBondContact O-N 2.91Š|
| 83 | N | 49.5 | Very low | 68.1 | Low | 133 Ų | 133 | 83 Ų | 83 | 71% | 0.711 | 45% | 0.449 | S | S | * | . | trans | -115.3 | 78.5 | 173.6 | -74.6 | -20.7 | 0 | 0 | 0 | 107.7 | T81 V85 | T81-N83 PolarHBondContact O-N 3.33Å; N83-V85 PolarHBondContact O-N 3.47Å | ||
| 84 | E | 49.7 | Very low | 68.7 | Low | 169 Ų | 169 | 82.5 Ų | 82.5 | 79% | 0.79 | 45% | 0.448 | S | S | * | . | trans | -54 | 103.8 | 170.3 | -169.4 | 171.2 | -158.2 | 0 | 0 | 108.3 | C86 | E84-C86 VanDerWaalsContact C-N 3.26Å; E84-C86 PolarHBondContact O-N 3.34Å | ||
| 85 | V | 58.4 | Low | 69.2 | Low | 99 Ų | 99 | 79.1 Ų | 79.1 | 60% | 0.6 | 43% | 0.431 | S | S | * | . | trans | -66.2 | 94.8 | 175.7 | 179.4 | 0 | 0 | 0 | 0 | 105.7 | N83 E87 | N83-V85 PolarHBondContact O-N 3.47Å; V85-E87 PolarHBondContact O-N 2.8Å; V85-E87 VanDerWaalsContact O-N 3.11Å | ||
| 86 | C | 67 | Low | 70.4 | Confident | 35 Ų | 35 | 79.7 Ų | 79.7 | 24% | 0.236 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 116.1 | 178.4 | -68.4 | 0 | 0 | 0 | 0 | 108.5 | E84 K492 F565 | E84-C86 VanDerWaalsContact C-N 3.26Å; E84-C86 PolarHBondContact O-N 3.34Å; C86-K492 HydrophobicContact CB-CB 4.36Å; C86-K492 HydrophobicContact CB-CD 3.84Å; C86-K492 HydrophobicContact CB-CG 3.74Å; C86-K492 VanDerWaalsContact SG-CD 3.58Å; C86-F565 HydrophobicContact CB-CE1 4.46Å; C86-F565 HydrophobicContact CB-CE2 4.44Å; C86-F565 HydrophobicContact CB-CZ 3.74Å; C86-F565 WeakPolarHBondContact O-CZ 2.88Å |
| 87 | E | 80.6 | Confident | 72 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 29% | 0.29 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 144 | 171.4 | -66.8 | 177.2 | 163.8 | 0 | 0 | 108.3 | V85 D91 I92 K95 | V85-E87 PolarHBondContact O-N 2.8Å; V85-E87 VanDerWaalsContact O-N 3.11Å; E87-D91 HydrophobicContact CB-CB 3.94Å; E87-D91 HydrophobicContact CG-CB 4.45Å; E87-I92 HydrophobicContact CB-CG1 4.02Å; E87-K95 IonicContact OE1-NZ 3.51Å; E87-K95 PolarHBondContact OE1-NZ 3.39Å; E87-K95 IonicContact OE2-NZ 3.54Å; E87-K95 PolarHBondContact OE2-NZ 3.04Å; E87-K95 VanDerWaalsContact OE2-NZ 3.07Å |
| 88 | T | 86.3 | Confident | 73.9 | Confident | 14 Ų | 14 | 76 Ų | 76 | 9% | 0.086 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 166.5 | 168.1 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | D90 D91 I92 K564 F565 | T88-D90 PolarHBondContact O-N 3.47Å; T88-D91 WeakPolarHBondContact CB-OD2 3.33Å; T88-D91 PolarHBondContact N-OD2 2.94Å; T88-D91 WeakPolarHBondContact O-CB 3.27Å; T88-D91 PolarHBondContact O-N 2.92Å; T88-D91 VanDerWaalsContact O-N 3.07Å; T88-D91 PolarHBondContact OG1-N 3.03Å; T88-D91 PolarHBondContact OG1-OD2 3.17Å; T88-I92 WeakPolarHBondContact O-CG1 3.24Å; T88-I92 PolarHBondContact O-N 3.29Å; T88-K564 HydrophobicContact CG2-CB 4.11Å; T88-K564 HydrophobicContact CG2-CD 3.44Å; T88-K564 VanDerWaalsContact CG2-CD 3.44Å; T88-K564 HydrophobicContact CG2-CG 3.51Å; T88-F565 HydrophobicContact CG2-CD1 4.08Å; T88-F565 HydrophobicContact CG2-CE1 3.7Å; T88-F565 HydrophobicContact CG2-CZ 4.09Å |
| 89 | D | 88.8 | Confident | 75.9 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.6 | -38.7 | 175.2 | -62.6 | -3.8 | 0 | 0 | 0 | 111.7 | I92 I93 N495 R498 | D89-I92 PolarHBondContact O-N 2.96Å; D89-I93 VanDerWaalsContact O-CG1 3.27Å; D89-I93 WeakPolarHBondContact O-CG1 3.42Å; D89-I93 PolarHBondContact O-N 2.69Å; D89-N495 PolarHBondContact OD2-ND2 2.82Å; D89-N495 PolarHBondContact OD2-OD1 2.93Å; D89-N495 VanDerWaalsContact OD2-OD1 3.1Å; D89-R498 VanDerWaalsContact CG-NH1 3.28Å; D89-R498 IonicContact OD1-CZ 3.82Å; D89-R498 IonicContact OD1-NH1 2.73Å; D89-R498 PolarHBondContact OD1-NH1 2.81Å; D89-R498 IonicContact OD1-NH2 3.63Å; D89-R498 PolarHBondContact OD1-NH2 2.84Å; D89-R498 IonicContact OD2-CZ 2.88Å; D89-R498 IonicContact OD2-NH1 3.84Å; D89-R498 PolarHBondContact OD2-NH1 3.19Å; D89-R498 IonicContact OD2-NH2 3.65Å |
| 90 | D | 91.4 | Very high | 78 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 175.5 | -72.7 | -22.6 | 0 | 0 | 0 | 111.6 | T88 I92 I93 I94 A239 R242 | T88-D90 PolarHBondContact O-N 3.47Å; D90-I92 VanDerWaalsContact C-N 3.27Å; D90-I92 PolarHBondContact O-N 2.85Å; D90-I93 PolarHBondContact O-N 3.5Å; D90-I94 WeakPolarHBondContact O-CB 3.35Å; D90-I94 WeakPolarHBondContact O-CD1 3.29Å; D90-I94 WeakPolarHBondContact O-CG1 3.49Å; D90-I94 PolarHBondContact O-N 3.08Å; D90-A239 HydrophobicContact CB-CB 4.01Å; D90-A239 WeakPolarHBondContact OD1-CB 3.26Å; D90-R242 IonicContact OD1-CZ 2.6Å; D90-R242 VanDerWaalsContact OD1-CZ 3.32Å; D90-R242 IonicContact OD1-NE 2.74Å; D90-R242 PolarHBondContact OD1-NE 3.3Å; D90-R242 VanDerWaalsContact OD1-NE 3.11Å; D90-R242 IonicContact OD1-NH2 3Å; D90-R242 PolarHBondContact OD1-NH2 3.49Å; D90-R242 VanDerWaalsContact OD2-CB 3.31Å; D90-R242 WeakPolarHBondContact OD2-CB 3.02Å; D90-R242 WeakPolarHBondContact OD2-CD 3.42Å; D90-R242 IonicContact OD2-CZ 3.79Å; D90-R242 IonicContact OD2-NE 2.81Å; D90-R242 PolarHBondContact OD2-NE 3.17Å; D90-R242 IonicContact OD2-NH2 3.66Å |
| 91 | D | 89 | Confident | 80.6 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 175.3 | -62.7 | -46.3 | 0 | 0 | 0 | 110.5 | E87 T88 K95 K564 | E87-D91 HydrophobicContact CB-CB 3.94Å; E87-D91 HydrophobicContact CG-CB 4.45Å; T88-D91 WeakPolarHBondContact CB-OD2 3.33Å; T88-D91 PolarHBondContact N-OD2 2.94Å; T88-D91 WeakPolarHBondContact O-CB 3.27Å; T88-D91 PolarHBondContact O-N 2.92Å; T88-D91 VanDerWaalsContact O-N 3.07Å; T88-D91 PolarHBondContact OG1-N 3.03Å; T88-D91 PolarHBondContact OG1-OD2 3.17Å; D91-K95 WeakPolarHBondContact O-CB 3.38Å; D91-K95 PolarHBondContact O-N 3.33Å; D91-K564 IonicContact OD2-NZ 2.78Å; D91-K564 PolarHBondContact OD2-NZ 3.01Å |
| 92 | I | 89.6 | Confident | 83.2 | Confident | 69 Ų | 69 | 61 Ų | 61 | 35% | 0.354 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67 | -45.4 | 178.1 | -63.8 | 166.4 | 0 | 0 | 0 | 111 | E87 T88 D89 D90 I94 K95 N96 | E87-I92 HydrophobicContact CB-CG1 4.02Å; T88-I92 WeakPolarHBondContact O-CG1 3.24Å; T88-I92 PolarHBondContact O-N 3.29Å; D89-I92 PolarHBondContact O-N 2.96Å; D90-I92 VanDerWaalsContact C-N 3.27Å; D90-I92 PolarHBondContact O-N 2.85Å; I92-I94 PolarHBondContact O-N 3.16Å; I92-K95 PolarHBondContact O-N 3.27Å; I92-N96 WeakPolarHBondContact O-CB 3.25Å; I92-N96 VanDerWaalsContact O-CG 3.29Å; I92-N96 PolarHBondContact O-N 3.35Å; I92-N96 PolarHBondContact O-ND2 3.4Å |
| 93 | I | 93.1 | Very high | 85.6 | Confident | 48 Ų | 48 | 56 Ų | 56 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 177.6 | -70.3 | 165 | 0 | 0 | 0 | 110.3 | D89 D90 K95 N96 A97 I236 A239 | D89-I93 VanDerWaalsContact O-CG1 3.27Å; D89-I93 WeakPolarHBondContact O-CG1 3.42Å; D89-I93 PolarHBondContact O-N 2.69Å; D90-I93 PolarHBondContact O-N 3.5Å; I93-K95 VanDerWaalsContact C-N 3.34Å; I93-K95 PolarHBondContact O-N 3.18Å; I93-N96 PolarHBondContact O-N 3.26Å; I93-A97 PolarHBondContact O-N 2.95Å; I93-I236 HydrophobicContact CG2-CB 4.39Å; I93-I236 HydrophobicContact CG2-CG1 3.88Å; I93-A239 HydrophobicContact CB-CB 4.01Å; I93-A239 HydrophobicContact CD1-CB 4.35Å; I93-A239 HydrophobicContact CG2-CB 3.73Å |
| 94 | I | 92.6 | Very high | 87.9 | Confident | 60 Ų | 60 | 50 Ų | 50 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | -179.9 | -68 | 164.6 | 0 | 0 | 0 | 110.7 | D90 I92 N96 A97 A239 | D90-I94 WeakPolarHBondContact O-CB 3.35Å; D90-I94 WeakPolarHBondContact O-CD1 3.29Å; D90-I94 WeakPolarHBondContact O-CG1 3.49Å; D90-I94 PolarHBondContact O-N 3.08Å; I92-I94 PolarHBondContact O-N 3.16Å; I94-N96 VanDerWaalsContact C-N 3.3Å; I94-N96 PolarHBondContact O-N 3.12Å; I94-A97 WeakPolarHBondContact O-CB 2.89Å; I94-A97 PolarHBondContact O-N 2.94Å; I94-A239 HydrophobicContact CG1-CB 4.14Å |
| 95 | K | 89.6 | Confident | 90.2 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 15% | 0.148 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 177.4 | -171.5 | -175 | -162.7 | 171.6 | 0 | 112.3 | A72 H73 T76 E87 D91 I92 I93 | A72-K95 HydrophobicContact CB-CG 4.29Å; A72-K95 WeakPolarHBondContact O-CE 3.35Å; H73-K95 VanDerWaalsContact ND1-CE 3.27Å; H73-K95 WeakPolarHBondContact ND1-CE 3.28Å; T76-K95 WeakPolarHBondContact OG1-CE 3.44Å; T76-K95 PolarHBondContact OG1-NZ 2.89Å; E87-K95 IonicContact OE1-NZ 3.51Å; E87-K95 PolarHBondContact OE1-NZ 3.39Å; E87-K95 IonicContact OE2-NZ 3.54Å; E87-K95 PolarHBondContact OE2-NZ 3.04Å; E87-K95 VanDerWaalsContact OE2-NZ 3.07Å; D91-K95 WeakPolarHBondContact O-CB 3.38Å; D91-K95 PolarHBondContact O-N 3.33Å; I92-K95 PolarHBondContact O-N 3.27Å; I93-K95 VanDerWaalsContact C-N 3.34Å; I93-K95 PolarHBondContact O-N 3.18Å |
| 96 | N | 92.9 | Very high | 92 | Very high | 61 Ų | 61 | 41.1 Ų | 41.1 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -82.1 | -13 | 178.8 | -66.3 | -20.5 | 0 | 0 | 0 | 113.5 | H73 I92 I93 I94 L98 S99 V100 | H73-N96 PolarHBondContact CE1-OD1 2.92Å; H73-N96 PolarHBondContact NE2-OD1 2.63Å; I92-N96 WeakPolarHBondContact O-CB 3.25Å; I92-N96 VanDerWaalsContact O-CG 3.29Å; I92-N96 PolarHBondContact O-N 3.35Å; I92-N96 PolarHBondContact O-ND2 3.4Å; I93-N96 PolarHBondContact O-N 3.26Å; I94-N96 VanDerWaalsContact C-N 3.3Å; I94-N96 PolarHBondContact O-N 3.12Å; N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 2.99Å; N96-S99 PolarHBondContact O-N 3.3Å; N96-S99 VanDerWaalsContact O-N 3.15Å; N96-V100 PolarHBondContact O-N 2.93Å; N96-V100 VanDerWaalsContact O-N 3.13Å |
| 97 | A | 96.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.4 | -41.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I93 I94 S99 V100 Y101 I236 | I93-A97 PolarHBondContact O-N 2.95Å; I94-A97 WeakPolarHBondContact O-CB 2.89Å; I94-A97 PolarHBondContact O-N 2.94Å; A97-S99 PolarHBondContact O-N 3.49Å; A97-V100 WeakPolarHBondContact O-CB 3.49Å; A97-V100 PolarHBondContact O-N 3Å; A97-Y101 HydrophobicContact CB-CE2 4.31Å; A97-Y101 VanDerWaalsContact O-CD2 3.28Å; A97-Y101 WeakPolarHBondContact O-CD2 3.39Å; A97-Y101 PolarHBondContact O-N 3.21Å; A97-I236 HydrophobicContact CB-CB 4.4Å; A97-I236 HydrophobicContact CB-CD1 3.91Å; A97-I236 HydrophobicContact CB-CG1 3.99Å; A97-I236 HydrophobicContact CB-CG2 3.5Å; A97-I236 VanDerWaalsContact CB-CG2 3.5Å |
| 98 | L | 96.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 40.4 Ų | 40.4 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | -177.1 | -56.9 | -175.8 | 0 | 0 | 0 | 111.9 | L65 F68 N96 V100 Y101 A102 | L65-L98 HydrophobicContact CB-CB 4.37Å; L65-L98 HydrophobicContact CD2-CD2 4.27Å; F68-L98 HydrophobicContact CB-CD1 4.11Å; F68-L98 HydrophobicContact CD1-CD1 3.13Å; F68-L98 HydrophobicContact CE1-CD1 3.71Å; F68-L98 HydrophobicContact CG-CD1 3.89Å; N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 2.99Å; L98-V100 VanDerWaalsContact C-N 3.34Å; L98-Y101 PolarHBondContact O-N 2.88Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 3.2Å |
| 99 | S | 96.3 | Very high | 94.7 | Very high | 44 Ų | 44 | 40 Ų | 40 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.2 | -36.1 | 175.1 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | N66 N96 A97 A102 T103 | N66-S99 WeakPolarHBondContact OD1-CA 3.42Å; N66-S99 PolarHBondContact OD1-OG 3.42Å; N96-S99 PolarHBondContact O-N 3.3Å; N96-S99 VanDerWaalsContact O-N 3.15Å; A97-S99 PolarHBondContact O-N 3.49Å; S99-A102 PolarHBondContact O-N 3.5Å; S99-T103 WeakPolarHBondContact O-CB 3.48Å; S99-T103 PolarHBondContact O-N 3.13Å; S99-T103 PolarHBondContact O-OG1 2.88Å |
| 100 | V | 96.5 | Very high | 95 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -50.4 | 172.9 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | N96 A97 L98 A102 T103 I104 Q232 I236 | N96-V100 PolarHBondContact O-N 2.93Å; N96-V100 VanDerWaalsContact O-N 3.13Å; A97-V100 WeakPolarHBondContact O-CB 3.49Å; A97-V100 PolarHBondContact O-N 3Å; L98-V100 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 3.07Å; V100-T103 WeakPolarHBondContact O-CB 3.48Å; V100-T103 PolarHBondContact O-N 3.4Å; V100-I104 HydrophobicContact CG1-CD1 3.94Å; V100-I104 WeakPolarHBondContact O-CG1 3.33Å; V100-I104 PolarHBondContact O-N 3.46Å; V100-Q232 HydrophobicContact CG1-CB 4.19Å; V100-I236 HydrophobicContact CB-CD1 4.03Å; V100-I236 HydrophobicContact CG1-CD1 3.92Å |
| 101 | Y | 97.6 | Very high | 95.2 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 28% | 0.282 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 178 | -64 | -36.4 | 0 | 0 | 0 | 112.8 | A97 L98 T103 I104 I105 I233 I236 | A97-Y101 HydrophobicContact CB-CE2 4.31Å; A97-Y101 VanDerWaalsContact O-CD2 3.28Å; A97-Y101 WeakPolarHBondContact O-CD2 3.39Å; A97-Y101 PolarHBondContact O-N 3.21Å; L98-Y101 PolarHBondContact O-N 2.88Å; Y101-T103 VanDerWaalsContact C-N 3.32Å; Y101-T103 PolarHBondContact O-N 3.4Å; Y101-I104 HydrophobicContact CD1-CD1 4.47Å; Y101-I104 PolarHBondContact O-N 2.97Å; Y101-I105 VanDerWaalsContact O-CG1 3.3Å; Y101-I105 WeakPolarHBondContact O-CG1 3.36Å; Y101-I105 PolarHBondContact O-N 3.1Å; Y101-I233 HydrophobicContact CE1-CG1 4.14Å; Y101-I236 HydrophobicContact CD1-CD1 4.48Å; Y101-I236 HydrophobicContact CE1-CD1 3.87Å; Y101-I236 HydrophobicContact CE2-CG2 4.26Å; Y101-I236 WeakPolarHBondContact OH-CG2 3.2Å |
| 102 | A | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A62 L65 N66 L98 S99 V100 I104 I105 T106 | A62-A102 HydrophobicContact CB-CB 4.12Å; A62-A102 VanDerWaalsContact O-CB 3.26Å; A62-A102 WeakPolarHBondContact O-CB 3.43Å; L65-A102 HydrophobicContact CB-CB 4.06Å; N66-A102 HydrophobicContact CB-CB 4.49Å; N66-A102 WeakPolarHBondContact OD1-CB 3.42Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 3.2Å; S99-A102 PolarHBondContact O-N 3.5Å; V100-A102 PolarHBondContact O-N 3.07Å; A102-I104 PolarHBondContact O-N 3.38Å; A102-I105 PolarHBondContact O-N 2.83Å; A102-T106 WeakPolarHBondContact O-CB 3.18Å; A102-T106 PolarHBondContact O-N 3.48Å; A102-T106 PolarHBondContact O-OG1 3.28Å |
| 103 | T | 97.5 | Very high | 95.8 | Very high | 66 Ų | 66 | 40.3 Ų | 40.3 | 41% | 0.405 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 179.3 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | S99 V100 Y101 I105 T106 N107 | S99-T103 WeakPolarHBondContact O-CB 3.48Å; S99-T103 PolarHBondContact O-N 3.13Å; S99-T103 PolarHBondContact O-OG1 2.88Å; V100-T103 WeakPolarHBondContact O-CB 3.48Å; V100-T103 PolarHBondContact O-N 3.4Å; Y101-T103 VanDerWaalsContact C-N 3.32Å; Y101-T103 PolarHBondContact O-N 3.4Å; T103-I105 PolarHBondContact O-N 3.32Å; T103-T106 PolarHBondContact O-N 3.46Å; T103-N107 PolarHBondContact O-N 2.68Å; T103-N107 PolarHBondContact O-ND2 3.34Å |
| 104 | I | 97 | Very high | 95.8 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 178.1 | -63.4 | 164.5 | 0 | 0 | 0 | 110.3 | V100 Y101 A102 N107 V108 F226 I233 | V100-I104 HydrophobicContact CG1-CD1 3.94Å; V100-I104 WeakPolarHBondContact O-CG1 3.33Å; V100-I104 PolarHBondContact O-N 3.46Å; Y101-I104 HydrophobicContact CD1-CD1 4.47Å; Y101-I104 PolarHBondContact O-N 2.97Å; A102-I104 PolarHBondContact O-N 3.38Å; I104-N107 PolarHBondContact O-N 2.84Å; I104-V108 WeakPolarHBondContact O-CG2 3.42Å; I104-V108 PolarHBondContact O-N 3.4Å; I104-V108 VanDerWaalsContact O-N 3.13Å; I104-F226 HydrophobicContact CG2-CD1 3.87Å; I104-F226 HydrophobicContact CG2-CE1 3.69Å; I104-F226 HydrophobicContact CG2-CZ 4.47Å; I104-I233 HydrophobicContact CD1-CD1 4.3Å; I104-I233 HydrophobicContact CD1-CG1 4.13Å |
| 105 | I | 98.1 | Very high | 95.9 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 15% | 0.149 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 179.4 | -67 | 167.9 | 0 | 0 | 0 | 110.3 | L58 Y61 A62 L65 Y101 A102 T103 N107 V108 E109 | L58-I105 HydrophobicContact CB-CG2 4.09Å; L58-I105 WeakPolarHBondContact O-CG2 3.3Å; Y61-I105 HydrophobicContact CD1-CD1 3.8Å; Y61-I105 HydrophobicContact CE1-CD1 3.71Å; A62-I105 HydrophobicContact CB-CB 4.2Å; A62-I105 HydrophobicContact CB-CG2 4.04Å; L65-I105 HydrophobicContact CD1-CD1 4.32Å; Y101-I105 VanDerWaalsContact O-CG1 3.3Å; Y101-I105 WeakPolarHBondContact O-CG1 3.36Å; Y101-I105 PolarHBondContact O-N 3.1Å; A102-I105 PolarHBondContact O-N 2.83Å; T103-I105 PolarHBondContact O-N 3.32Å; I105-N107 VanDerWaalsContact C-N 3.29Å; I105-N107 PolarHBondContact O-N 2.99Å; I105-V108 PolarHBondContact O-N 3.49Å; I105-E109 HydrophobicContact CG2-CG 4.14Å; I105-E109 WeakPolarHBondContact O-CB 3.44Å; I105-E109 VanDerWaalsContact O-CG 3.3Å; I105-E109 WeakPolarHBondContact O-CG 3.38Å; I105-E109 PolarHBondContact O-N 2.89Å |
| 106 | T | 97.8 | Very high | 96.2 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 32% | 0.319 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57 | -42.1 | 178.5 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | I59 A102 T103 E109 E110 | I59-T106 HydrophobicContact CD1-CG2 4.2Å; A102-T106 WeakPolarHBondContact O-CB 3.18Å; A102-T106 PolarHBondContact O-N 3.48Å; A102-T106 PolarHBondContact O-OG1 3.28Å; T103-T106 PolarHBondContact O-N 3.46Å; T106-E109 PolarHBondContact O-N 3.14Å; T106-E110 WeakPolarHBondContact O-CB 3.48Å; T106-E110 PolarHBondContact O-N 2.56Å |
| 107 | N | 96 | Very high | 96.1 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -45 | 178.6 | -69.6 | -15.8 | 0 | 0 | 0 | 112.4 | T103 I104 I105 E109 E110 A111 | T103-N107 PolarHBondContact O-N 2.68Å; T103-N107 PolarHBondContact O-ND2 3.34Å; I104-N107 PolarHBondContact O-N 2.84Å; I105-N107 VanDerWaalsContact C-N 3.29Å; I105-N107 PolarHBondContact O-N 2.99Å; N107-E109 VanDerWaalsContact C-N 3.3Å; N107-E109 PolarHBondContact O-N 3.44Å; N107-E110 PolarHBondContact O-N 3.12Å; N107-A111 PolarHBondContact O-N 2.98Å |
| 108 | V | 97.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | I104 I105 A111 R112 F218 A222 Q225 F226 | I104-V108 WeakPolarHBondContact O-CG2 3.42Å; I104-V108 PolarHBondContact O-N 3.4Å; I104-V108 VanDerWaalsContact O-N 3.13Å; I105-V108 PolarHBondContact O-N 3.49Å; V108-A111 WeakPolarHBondContact O-CB 3.44Å; V108-A111 PolarHBondContact O-N 3.39Å; V108-R112 PolarHBondContact O-N 3.24Å; V108-R112 VanDerWaalsContact O-N 3.15Å; V108-F218 HydrophobicContact CG1-CE2 4.38Å; V108-F218 HydrophobicContact CG1-CZ 4.25Å; V108-A222 HydrophobicContact CG1-CB 3.87Å; V108-Q225 HydrophobicContact CG2-CB 3.74Å; V108-Q225 HydrophobicContact CG2-CG 4.28Å; V108-F226 HydrophobicContact CG1-CE2 4.36Å; V108-F226 HydrophobicContact CG2-CD2 4.33Å; V108-F226 HydrophobicContact CG2-CE2 3.84Å; V108-F226 HydrophobicContact CG2-CZ 4.12Å |
| 109 | E | 97 | Very high | 95.8 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.023 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.3 | -30.5 | -178.7 | -69.2 | -50 | 139 | 0 | 0 | 113.3 | N55 L58 I59 I105 T106 N107 A111 R112 R113 | N55-E109 WeakPolarHBondContact CA-OE2 3.35Å; N55-E109 WeakPolarHBondContact ND2-CB 3.37Å; N55-E109 PolarHBondContact ND2-O 3.33Å; N55-E109 PolarHBondContact ND2-OE2 3.16Å; L58-E109 HydrophobicContact CB-CG 3.68Å; L58-E109 HydrophobicContact CD1-CG 4.24Å; L58-E109 WeakPolarHBondContact CD1-OE1 3.41Å; I59-E109 HydrophobicContact CD1-CB 3.69Å; I59-E109 HydrophobicContact CG1-CB 4.06Å; I105-E109 HydrophobicContact CG2-CG 4.14Å; I105-E109 WeakPolarHBondContact O-CB 3.44Å; I105-E109 VanDerWaalsContact O-CG 3.3Å; I105-E109 WeakPolarHBondContact O-CG 3.38Å; I105-E109 PolarHBondContact O-N 2.89Å; T106-E109 PolarHBondContact O-N 3.14Å; N107-E109 VanDerWaalsContact C-N 3.3Å; N107-E109 PolarHBondContact O-N 3.44Å; E109-A111 VanDerWaalsContact C-N 3.31Å; E109-A111 PolarHBondContact O-N 2.91Å; E109-R112 VanDerWaalsContact CD-CZ 3.49Å; E109-R112 WeakPolarHBondContact O-CB 3.16Å; E109-R112 PolarHBondContact O-N 3.45Å; E109-R112 IonicContact OE1-CZ 3.75Å; E109-R112 IonicContact OE1-NH1 3.91Å; E109-R112 PolarHBondContact OE1-NH1 3.49Å; E109-R112 IonicContact OE1-NH2 3.76Å; E109-R112 PolarHBondContact OE1-NH2 3.39Å; E109-R112 IonicContact OE2-CZ 2.61Å; E109-R112 IonicContact OE2-NE 3.16Å; E109-R112 IonicContact OE2-NH1 2.82Å; E109-R112 PolarHBondContact OE2-NH1 3.49Å; E109-R112 IonicContact OE2-NH2 3.69Å; E109-R113 PolarHBondContact O-N 3.46Å |
| 110 | E | 95 | Very high | 95.8 | Very high | 89 Ų | 89 | 44.9 Ų | 44.9 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 170.8 | -168.9 | 56.4 | -151.5 | 0 | 0 | 111.4 | T106 N107 R112 R113 T114 | T106-E110 WeakPolarHBondContact O-CB 3.48Å; T106-E110 PolarHBondContact O-N 2.56Å; N107-E110 PolarHBondContact O-N 3.12Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 2.92Å; E110-R113 PolarHBondContact O-N 3.38Å; E110-R113 IonicContact OE2-NE 2.63Å; E110-T114 WeakPolarHBondContact O-CG2 3.46Å; E110-T114 PolarHBondContact O-N 3.23Å; E110-T114 PolarHBondContact O-OG1 2.91Å |
| 111 | A | 94.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N107 V108 E109 T114 M115 F218 Q221 | N107-A111 PolarHBondContact O-N 2.98Å; V108-A111 WeakPolarHBondContact O-CB 3.44Å; V108-A111 PolarHBondContact O-N 3.39Å; E109-A111 VanDerWaalsContact C-N 3.31Å; E109-A111 PolarHBondContact O-N 2.91Å; A111-T114 WeakPolarHBondContact CA-OG1 3.24Å; A111-T114 PolarHBondContact O-OG1 3.5Å; A111-M115 WeakPolarHBondContact O-CB 3.15Å; A111-M115 PolarHBondContact O-N 2.8Å; A111-M115 VanDerWaalsContact O-N 3.09Å; A111-F218 HydrophobicContact CB-CD2 4.49Å; A111-Q221 HydrophobicContact CB-CG 4.17Å |
| 112 | R | 96.5 | Very high | 95.6 | Very high | 27 Ų | 27 | 51 Ų | 51 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 174.2 | -169.3 | 177.3 | -63.9 | 139.5 | 10.1 | 111.7 | V108 E109 E110 M115 I116 F218 | V108-R112 PolarHBondContact O-N 3.24Å; V108-R112 VanDerWaalsContact O-N 3.15Å; E109-R112 VanDerWaalsContact CD-CZ 3.49Å; E109-R112 WeakPolarHBondContact O-CB 3.16Å; E109-R112 PolarHBondContact O-N 3.45Å; E109-R112 IonicContact OE1-CZ 3.75Å; E109-R112 IonicContact OE1-NH1 3.91Å; E109-R112 PolarHBondContact OE1-NH1 3.49Å; E109-R112 IonicContact OE1-NH2 3.76Å; E109-R112 PolarHBondContact OE1-NH2 3.39Å; E109-R112 IonicContact OE2-CZ 2.61Å; E109-R112 IonicContact OE2-NE 3.16Å; E109-R112 IonicContact OE2-NH1 2.82Å; E109-R112 PolarHBondContact OE2-NH1 3.49Å; E109-R112 IonicContact OE2-NH2 3.69Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 2.92Å; R112-M115 HydrophobicContact CG-CE 4.32Å; R112-M115 WeakPolarHBondContact O-CB 3.34Å; R112-M115 PolarHBondContact O-N 3.1Å; R112-I116 HydrophobicContact CG-CD1 3.82Å; R112-I116 HydrophobicContact CG-CG1 4.44Å; R112-I116 VanDerWaalsContact O-CG1 3.31Å; R112-I116 WeakPolarHBondContact O-CG1 3.46Å; R112-I116 PolarHBondContact O-N 2.91Å; R112-F218 HydrophobicContact CB-CD2 4Å; R112-F218 HydrophobicContact CB-CE2 3.5Å; R112-F218 VanDerWaalsContact CB-CE2 3.5Å; R112-F218 HydrophobicContact CB-CZ 3.99Å; R112-F218 HydrophobicContact CG-CD2 4.47Å; R112-F218 HydrophobicContact CG-CE2 4.15Å; R112-F218 HydrophobicContact CG-CZ 4.3Å; R112-F218 VanDerWaalsContact NE-CZ 3.32Å; R112-F218 VanDerWaalsContact NH2-CZ 3.3Å |
| 113 | R | 95.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 51 Ų | 51 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 179.6 | -175.8 | -175.7 | -59.4 | -74.4 | -0.8 | 111.8 | N55 E109 E110 M115 I116 Q117 | N55-R113 VanDerWaalsContact OD1-CZ 3.22Å; N55-R113 PolarHBondContact OD1-NH2 3.42Å; E109-R113 PolarHBondContact O-N 3.46Å; E110-R113 PolarHBondContact O-N 3.38Å; E110-R113 IonicContact OE2-NE 2.63Å; R113-M115 VanDerWaalsContact C-N 3.28Å; R113-M115 PolarHBondContact O-N 3.39Å; R113-I116 PolarHBondContact O-N 3.33Å; R113-Q117 HydrophobicContact CG-CG 4.47Å; R113-Q117 PolarHBondContact O-N 2.98Å; R113-Q117 VanDerWaalsContact O-N 3.11Å |
| 114 | T | 93.6 | Very high | 95.5 | Very high | 78 Ų | 78 | 49 Ų | 49 | 48% | 0.479 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -30.9 | 178.5 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | E110 A111 P118 | E110-T114 WeakPolarHBondContact O-CG2 3.46Å; E110-T114 PolarHBondContact O-N 3.23Å; E110-T114 PolarHBondContact O-OG1 2.91Å; A111-T114 WeakPolarHBondContact CA-OG1 3.24Å; A111-T114 PolarHBondContact O-OG1 3.5Å; T114-P118 WeakPolarHBondContact O-CD 3.08Å |
| 115 | M | 94.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 169.7 | -179.5 | -155.7 | 70 | 0 | 0 | 112.2 | M51 A111 R112 R113 N119 M214 F218 | M51-M115 HydrophobicContact CE-CE 4.42Å; M51-M115 HydrophobicContact SD-CE 3.9Å; A111-M115 WeakPolarHBondContact O-CB 3.15Å; A111-M115 PolarHBondContact O-N 2.8Å; A111-M115 VanDerWaalsContact O-N 3.09Å; R112-M115 HydrophobicContact CG-CE 4.32Å; R112-M115 WeakPolarHBondContact O-CB 3.34Å; R112-M115 PolarHBondContact O-N 3.1Å; R113-M115 VanDerWaalsContact C-N 3.28Å; R113-M115 PolarHBondContact O-N 3.39Å; M115-N119 PolarHBondContact O-ND2 2.96Å; M115-M214 HydrophobicContact CE-CE 4.11Å; M115-M214 HydrophobicContact CE-CG 4.36Å; M115-M214 HydrophobicContact CE-SD 4.29Å; M115-M214 HydrophobicContact CG-CB 4.48Å; M115-M214 HydrophobicContact CG-CG 3.17Å; M115-M214 HydrophobicContact CG-SD 3.94Å; M115-M214 HydrophobicContact SD-CE 4.23Å; M115-M214 HydrophobicContact SD-CG 3.49Å; M115-M214 WeakPolarHBondContact SD-CG 3.35Å; M115-M214 VanDerWaalsContact SD-O 3.41Å; M115-M214 HydrophobicContact SD-SD 4.18Å; M115-F218 HydrophobicContact CG-CB 4.38Å; M115-F218 HydrophobicContact SD-CB 3.3Å; M115-F218 WeakPolarHBondContact SD-CB 3.47Å; M115-F218 HydrophobicContact SD-CG 3.94Å |
| 116 | I | 95.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.5 | -50.5 | -172.9 | -70.2 | 165.8 | 0 | 0 | 0 | 112.3 | F48 M51 E52 R112 R113 N119 K120 | F48-I116 HydrophobicContact CD1-CG1 4.47Å; F48-I116 HydrophobicContact CD1-CG2 3.95Å; F48-I116 HydrophobicContact CE1-CG2 4.4Å; M51-I116 HydrophobicContact CB-CD1 3.63Å; M51-I116 HydrophobicContact CB-CG1 4.4Å; M51-I116 HydrophobicContact CE-CG1 4.46Å; E52-I116 HydrophobicContact CG-CD1 4.27Å; E52-I116 HydrophobicContact CG-CG2 3.98Å; R112-I116 HydrophobicContact CG-CD1 3.82Å; R112-I116 HydrophobicContact CG-CG1 4.44Å; R112-I116 VanDerWaalsContact O-CG1 3.31Å; R112-I116 WeakPolarHBondContact O-CG1 3.46Å; R112-I116 PolarHBondContact O-N 2.91Å; R113-I116 PolarHBondContact O-N 3.33Å; I116-N119 PolarHBondContact O-N 3.02Å; I116-N119 VanDerWaalsContact O-N 3.15Å; I116-K120 HydrophobicContact CG2-CB 4.38Å; I116-K120 WeakPolarHBondContact O-CB 3.38Å; I116-K120 PolarHBondContact O-N 2.64Å |
| 117 | Q | 91.1 | Very high | 95.3 | Very high | 124 Ų | 124 | 49.9 Ų | 49.9 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -51 | -56.6 | -166.7 | -81.9 | -70.4 | -10.7 | 0 | 0 | 114.5 | R113 N119 | R113-Q117 HydrophobicContact CG-CG 4.47Å; R113-Q117 PolarHBondContact O-N 2.98Å; R113-Q117 VanDerWaalsContact O-N 3.11Å; Q117-N119 PolarHBondContact O-N 2.95Å |
| 118 | P | 91.7 | Very high | 95.2 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 55% | 0.552 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -73.8 | -26.6 | -178.1 | 29.1 | -34.7 | 0 | 0 | 0 | 113.2 | T114 | T114-P118 WeakPolarHBondContact O-CD 3.08Å |
| 119 | N | 94.6 | Very high | 95.1 | Very high | 35 Ų | 35 | 53 Ų | 53 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -88 | -31.1 | -170.4 | -71.8 | -64.8 | 0 | 0 | 0 | 112.9 | M115 I116 Q117 L122 I123 M214 | M115-N119 PolarHBondContact O-ND2 2.96Å; I116-N119 PolarHBondContact O-N 3.02Å; I116-N119 VanDerWaalsContact O-N 3.15Å; Q117-N119 PolarHBondContact O-N 2.95Å; N119-L122 PolarHBondContact O-N 2.86Å; N119-I123 HydrophobicContact CB-CD1 3.97Å; N119-I123 VanDerWaalsContact O-CB 3.32Å; N119-I123 WeakPolarHBondContact O-CB 3.47Å; N119-I123 WeakPolarHBondContact O-CD1 3.37Å; N119-I123 VanDerWaalsContact O-CG1 3.29Å; N119-I123 WeakPolarHBondContact O-CG1 3.3Å; N119-I123 PolarHBondContact O-N 3.42Å; N119-M214 HydrophobicContact CB-CG 4.5Å; N119-M214 HydrophobicContact CB-SD 3.59Å; N119-M214 VanDerWaalsContact CB-SD 3.59Å |
| 120 | K | 96.3 | Very high | 94.9 | Very high | 48 Ų | 48 | 53 Ų | 53 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.3 | -55.3 | -176.4 | 179.5 | 179.6 | -178.3 | -178.7 | 0 | 112.2 | F48 E52 I116 L124 | F48-K120 HydrophobicContact CB-CD 4.13Å; F48-K120 HydrophobicContact CB-CG 4.09Å; F48-K120 HydrophobicContact CD1-CB 3.88Å; F48-K120 HydrophobicContact CD1-CG 4.08Å; F48-K120 HydrophobicContact CD2-CB 4.47Å; F48-K120 HydrophobicContact CD2-CG 4.17Å; F48-K120 HydrophobicContact CE1-CB 3.98Å; F48-K120 HydrophobicContact CG-CB 4.15Å; F48-K120 HydrophobicContact CG-CD 4.36Å; F48-K120 HydrophobicContact CG-CG 3.86Å; F48-K120 HydrophobicContact CZ-CB 4.33Å; E52-K120 VanDerWaalsContact OE1-CD 3.23Å; E52-K120 WeakPolarHBondContact OE1-CD 3.46Å; E52-K120 WeakPolarHBondContact OE1-CE 3.2Å; E52-K120 IonicContact OE1-NZ 3.65Å; E52-K120 PolarHBondContact OE1-NZ 3.36Å; E52-K120 IonicContact OE2-NZ 2.56Å; E52-K120 PolarHBondContact OE2-NZ 3.2Å; I116-K120 HydrophobicContact CG2-CB 4.38Å; I116-K120 WeakPolarHBondContact O-CB 3.38Å; I116-K120 PolarHBondContact O-N 2.64Å; K120-L124 HydrophobicContact CG-CD1 3.94Å; K120-L124 WeakPolarHBondContact O-CB 3.49Å; K120-L124 WeakPolarHBondContact O-CG 3.49Å; K120-L124 PolarHBondContact O-N 3.4Å; K120-L124 VanDerWaalsContact O-N 3.09Å |
| 121 | E | 94.8 | Very high | 94.9 | Very high | 157 Ų | 157 | 52.1 Ų | 52.1 | 73% | 0.734 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.9 | -41.9 | -176.9 | -65.7 | -170.4 | 162.3 | 0 | 0 | 111.7 | S125 | E121-S125 WeakPolarHBondContact O-CB 3.43Å; E121-S125 PolarHBondContact O-N 3.31Å |
| 122 | L | 95.7 | Very high | 94.7 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 42% | 0.424 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.3 | -55.9 | 177.3 | 176.4 | 62.3 | 0 | 0 | 0 | 111.4 | N119 L124 S125 E126 L210 | N119-L122 PolarHBondContact O-N 2.86Å; L122-L124 PolarHBondContact O-N 2.8Å; L122-S125 PolarHBondContact O-N 3.47Å; L122-E126 HydrophobicContact CD1-CG 4.38Å; L122-E126 WeakPolarHBondContact O-CG 3.45Å; L122-E126 PolarHBondContact O-N 3.08Å; L122-L210 HydrophobicContact CD2-CD2 3.96Å |
| 123 | I | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | -176 | -71.1 | 162.3 | 0 | 0 | 0 | 111.1 | T44 F48 N119 S125 E126 L127 T207 L210 I211 M214 | T44-I123 HydrophobicContact CG2-CG2 3.82Å; F48-I123 HydrophobicContact CE2-CB 4.46Å; F48-I123 HydrophobicContact CE2-CD1 4.39Å; F48-I123 HydrophobicContact CE2-CG2 4.35Å; F48-I123 HydrophobicContact CZ-CD1 3.95Å; N119-I123 HydrophobicContact CB-CD1 3.97Å; N119-I123 VanDerWaalsContact O-CB 3.32Å; N119-I123 WeakPolarHBondContact O-CB 3.47Å; N119-I123 WeakPolarHBondContact O-CD1 3.37Å; N119-I123 VanDerWaalsContact O-CG1 3.29Å; N119-I123 WeakPolarHBondContact O-CG1 3.3Å; N119-I123 PolarHBondContact O-N 3.42Å; I123-S125 VanDerWaalsContact C-N 3.32Å; I123-S125 PolarHBondContact O-N 2.96Å; I123-E126 PolarHBondContact O-N 3Å; I123-L127 HydrophobicContact CG2-CD1 4.15Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 WeakPolarHBondContact O-CG 3.39Å; I123-L127 PolarHBondContact O-N 2.94Å; I123-L127 VanDerWaalsContact O-N 3.08Å; I123-T207 HydrophobicContact CB-CG2 4.47Å; I123-T207 HydrophobicContact CG2-CG2 3.98Å; I123-L210 HydrophobicContact CD1-CD2 4.23Å; I123-L210 HydrophobicContact CD1-CG 4.27Å; I123-L210 HydrophobicContact CG1-CD2 3.85Å; I123-L210 HydrophobicContact CG1-CG 4.36Å; I123-I211 HydrophobicContact CD1-CG1 3.8Å; I123-I211 HydrophobicContact CG1-CG1 4.39Å; I123-I211 HydrophobicContact CG2-CD1 3.81Å; I123-I211 HydrophobicContact CG2-CG1 3.87Å; I123-M214 HydrophobicContact CD1-SD 4.42Å |
| 124 | L | 97.1 | Very high | 94 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 13% | 0.131 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 179 | -68.6 | 178.3 | 0 | 0 | 0 | 111.7 | L41 T44 R45 K120 L122 S128 | L41-L124 HydrophobicContact CD1-CD2 3.8Å; T44-L124 HydrophobicContact CG2-CD2 4.07Å; R45-L124 HydrophobicContact CB-CD2 4.03Å; K120-L124 HydrophobicContact CG-CD1 3.94Å; K120-L124 WeakPolarHBondContact O-CB 3.49Å; K120-L124 WeakPolarHBondContact O-CG 3.49Å; K120-L124 PolarHBondContact O-N 3.4Å; K120-L124 VanDerWaalsContact O-N 3.09Å; L122-L124 PolarHBondContact O-N 2.8Å; L124-S128 WeakPolarHBondContact O-CB 3.43Å; L124-S128 PolarHBondContact O-N 3.15Å |
| 125 | S | 96 | Very high | 93.7 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.9 | -50.9 | 175.2 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | E121 L122 I123 L127 S128 E129 | E121-S125 WeakPolarHBondContact O-CB 3.43Å; E121-S125 PolarHBondContact O-N 3.31Å; L122-S125 PolarHBondContact O-N 3.47Å; I123-S125 VanDerWaalsContact C-N 3.32Å; I123-S125 PolarHBondContact O-N 2.96Å; S125-L127 PolarHBondContact O-N 3.48Å; S125-S128 WeakPolarHBondContact O-CB 3.31Å; S125-S128 PolarHBondContact O-N 3.49Å; S125-S128 VanDerWaalsContact O-N 3.1Å; S125-E129 WeakPolarHBondContact O-CB 3.42Å; S125-E129 PolarHBondContact O-N 2.95Å |
| 126 | E | 95.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | -179.8 | -72 | -170.8 | 156.8 | 0 | 0 | 112.6 | L122 I123 S128 L130 K203 T207 | L122-E126 HydrophobicContact CD1-CG 4.38Å; L122-E126 WeakPolarHBondContact O-CG 3.45Å; L122-E126 PolarHBondContact O-N 3.08Å; I123-E126 PolarHBondContact O-N 3Å; E126-S128 VanDerWaalsContact C-N 3.34Å; E126-S128 PolarHBondContact O-N 3.09Å; E126-L130 WeakPolarHBondContact O-CB 3.29Å; E126-L130 PolarHBondContact O-N 3.06Å; E126-K203 IonicContact OE1-NZ 3.01Å; E126-K203 PolarHBondContact OE1-NZ 3.33Å; E126-K203 IonicContact OE2-NZ 2.73Å; E126-T207 HydrophobicContact CB-CG2 4.11Å; E126-T207 WeakPolarHBondContact OE2-CB 3.39Å; E126-T207 WeakPolarHBondContact OE2-CG2 3.5Å; E126-T207 PolarHBondContact OE2-OG1 3.26Å |
| 127 | L | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 176.7 | -71.3 | 177.7 | 0 | 0 | 0 | 112.2 | V40 L41 T44 I123 S125 R131 F204 T207 | V40-L127 HydrophobicContact CG1-CD1 4.39Å; L41-L127 HydrophobicContact CB-CB 4.35Å; L41-L127 HydrophobicContact CD1-CB 3.73Å; L41-L127 HydrophobicContact CD1-CD1 4.37Å; T44-L127 HydrophobicContact CG2-CD1 4.26Å; I123-L127 HydrophobicContact CG2-CD1 4.15Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 WeakPolarHBondContact O-CG 3.39Å; I123-L127 PolarHBondContact O-N 2.94Å; I123-L127 VanDerWaalsContact O-N 3.08Å; S125-L127 PolarHBondContact O-N 3.48Å; L127-R131 VanDerWaalsContact O-CB 3.29Å; L127-R131 WeakPolarHBondContact O-CB 3.4Å; L127-R131 PolarHBondContact O-N 2.81Å; L127-R131 VanDerWaalsContact O-N 3.13Å; L127-F204 HydrophobicContact CD2-CD2 3.93Å; L127-F204 HydrophobicContact CD2-CE2 3.99Å; L127-T207 HydrophobicContact CD2-CG2 3.99Å; L127-T207 HydrophobicContact CG-CG2 3.86Å |
| 128 | S | 95.5 | Very high | 92 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | L124 S125 E126 R131 S132 | L124-S128 WeakPolarHBondContact O-CB 3.43Å; L124-S128 PolarHBondContact O-N 3.15Å; S125-S128 WeakPolarHBondContact O-CB 3.31Å; S125-S128 PolarHBondContact O-N 3.49Å; S125-S128 VanDerWaalsContact O-N 3.1Å; E126-S128 VanDerWaalsContact C-N 3.34Å; E126-S128 PolarHBondContact O-N 3.09Å; S128-R131 PolarHBondContact O-N 3.04Å; S128-S132 VanDerWaalsContact O-CB 3.24Å; S128-S132 WeakPolarHBondContact O-CB 3.16Å; S128-S132 PolarHBondContact O-N 3.37Å; S128-S132 PolarHBondContact O-OG 3.36Å |
| 129 | E | 94.1 | Very high | 91.6 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 46% | 0.458 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -52.6 | 177.2 | -173.2 | -173.8 | 159.6 | 0 | 0 | 110.8 | S125 R131 S132 L133 | S125-E129 WeakPolarHBondContact O-CB 3.42Å; S125-E129 PolarHBondContact O-N 2.95Å; E129-R131 PolarHBondContact O-N 3.37Å; E129-S132 PolarHBondContact O-N 2.91Å; E129-L133 HydrophobicContact CG-CB 4.41Å; E129-L133 HydrophobicContact CG-CD2 4.23Å; E129-L133 VanDerWaalsContact O-CB 3.28Å; E129-L133 WeakPolarHBondContact O-CB 3.5Å; E129-L133 PolarHBondContact O-N 3.29Å |
| 130 | L | 93.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -53.5 | -44.2 | 177.7 | 179 | 66.7 | 0 | 0 | 0 | 111.4 | E126 W134 L135 L199 F204 | E126-L130 WeakPolarHBondContact O-CB 3.29Å; E126-L130 PolarHBondContact O-N 3.06Å; L130-W134 HydrophobicContact CD1-CB 4.46Å; L130-W134 WeakPolarHBondContact O-CB 3.34Å; L130-W134 PolarHBondContact O-N 3.23Å; L130-L135 HydrophobicContact CD1-CG 4.47Å; L130-L135 HydrophobicContact CD2-CD1 4.45Å; L130-L135 HydrophobicContact CG-CD1 4.1Å; L130-L135 HydrophobicContact CG-CG 4.31Å; L130-L135 WeakPolarHBondContact O-CG 3.32Å; L130-L135 PolarHBondContact O-N 3.03Å; L130-L199 HydrophobicContact CD1-CB 3.91Å; L130-F204 HydrophobicContact CD2-CB 3.59Å; L130-F204 HydrophobicContact CD2-CD2 3.98Å; L130-F204 HydrophobicContact CD2-CG 4.21Å |
| 131 | R | 93.2 | Very high | 90.5 | Very high | 70 Ų | 70 | 52.1 Ų | 52.1 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -68.1 | -51.2 | 178.8 | -179.2 | -172.2 | 161.4 | -125.3 | -11.5 | 112.3 | N34 V37 L127 S128 E129 G136 | N34-R131 PolarHBondContact ND2-O 3.46Å; V37-R131 HydrophobicContact CG1-CB 4.08Å; L127-R131 VanDerWaalsContact O-CB 3.29Å; L127-R131 WeakPolarHBondContact O-CB 3.4Å; L127-R131 PolarHBondContact O-N 2.81Å; L127-R131 VanDerWaalsContact O-N 3.13Å; S128-R131 PolarHBondContact O-N 3.04Å; E129-R131 PolarHBondContact O-N 3.37Å; R131-G136 PolarHBondContact O-N 3.25Å |
| 132 | S | 90.6 | Very high | 90.3 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 48% | 0.483 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -86.3 | -22.9 | -165.1 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | S128 E129 G137 | S128-S132 VanDerWaalsContact O-CB 3.24Å; S128-S132 WeakPolarHBondContact O-CB 3.16Å; S128-S132 PolarHBondContact O-N 3.37Å; S128-S132 PolarHBondContact O-OG 3.36Å; E129-S132 PolarHBondContact O-N 2.91Å; S132-G137 WeakPolarHBondContact O-CA 3.39Å |
| 133 | L | 88.2 | Confident | 90 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -100.7 | -40.4 | -179.6 | -172.7 | 57.6 | 0 | 0 | 0 | 111.9 | E129 G137 N139 | E129-L133 HydrophobicContact CG-CB 4.41Å; E129-L133 HydrophobicContact CG-CD2 4.23Å; E129-L133 VanDerWaalsContact O-CB 3.28Å; E129-L133 WeakPolarHBondContact O-CB 3.5Å; E129-L133 PolarHBondContact O-N 3.29Å; L133-G137 CarbonylContact O-C 3.57Å; L133-G137 WeakPolarHBondContact O-CA 3.29Å; L133-N139 PolarHBondContact O-N 3.14Å |
| 134 | W | 90.7 | Very high | 89.5 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -107.3 | -50.6 | -168.5 | -63.9 | 100.7 | 0 | 0 | 0 | 114.5 | L130 G136 N139 T140 E195 A196 L199 | L130-W134 HydrophobicContact CD1-CB 4.46Å; L130-W134 WeakPolarHBondContact O-CB 3.34Å; L130-W134 PolarHBondContact O-N 3.23Å; W134-G136 VanDerWaalsContact C-N 3.34Å; W134-G136 PolarHBondContact O-N 3.45Å; W134-N139 HydrophobicContact CE3-CB 4.04Å; W134-N139 VanDerWaalsContact CH2-ND2 3.29Å; W134-N139 WeakPolarHBondContact CH2-ND2 3.17Å; W134-N139 WeakPolarHBondContact CZ2-ND2 3.32Å; W134-N139 HydrophobicContact CZ3-CB 4.08Å; W134-N139 WeakPolarHBondContact CZ3-ND2 3.45Å; W134-T140 WeakPolarHBondContact O-CB 3.09Å; W134-T140 WeakPolarHBondContact O-CG2 3.48Å; W134-T140 PolarHBondContact O-OG1 3.06Å; W134-E195 HydrophobicContact CE3-CG 4.35Å; W134-E195 HydrophobicContact CH2-CG 3.86Å; W134-E195 VanDerWaalsContact CH2-OE1 3.27Å; W134-E195 WeakPolarHBondContact CH2-OE1 3.37Å; W134-E195 WeakPolarHBondContact CH2-OE2 3.37Å; W134-E195 HydrophobicContact CZ3-CB 4Å; W134-E195 VanDerWaalsContact CZ3-CD 3.43Å; W134-E195 HydrophobicContact CZ3-CG 3.66Å; W134-E195 WeakPolarHBondContact CZ3-OE2 3.44Å; W134-A196 HydrophobicContact CB-CB 4.28Å; W134-A196 HydrophobicContact CE3-CB 4.32Å; W134-L199 HydrophobicContact CD2-CD1 3.36Å; W134-L199 HydrophobicContact CE3-CD1 3.84Å; W134-L199 HydrophobicContact CG-CD1 3.66Å; W134-L199 HydrophobicContact CH2-CD1 4.23Å; W134-L199 HydrophobicContact CZ2-CD1 3.8Å; W134-L199 HydrophobicContact CZ3-CD1 4.24Å |
| 135 | L | 86.3 | Confident | 89.2 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -79.2 | -16.7 | -172.3 | -62.1 | 179.9 | 0 | 0 | 0 | 114.4 | L30 A33 N34 V37 L130 K200 | L30-L135 HydrophobicContact CD2-CD2 3.79Å; A33-L135 HydrophobicContact CB-CD1 4.28Å; A33-L135 HydrophobicContact CB-CD2 4.3Å; N34-L135 HydrophobicContact CB-CB 3.87Å; V37-L135 HydrophobicContact CB-CD1 3.97Å; V37-L135 HydrophobicContact CG1-CD1 4.38Å; V37-L135 HydrophobicContact CG2-CD1 3.55Å; L130-L135 HydrophobicContact CD1-CG 4.47Å; L130-L135 HydrophobicContact CD2-CD1 4.45Å; L130-L135 HydrophobicContact CG-CD1 4.1Å; L130-L135 HydrophobicContact CG-CG 4.31Å; L130-L135 WeakPolarHBondContact O-CG 3.32Å; L130-L135 PolarHBondContact O-N 3.03Å; L135-K200 HydrophobicContact CD2-CB 4Å; L135-K200 HydrophobicContact CD2-CD 4.28Å; L135-K200 HydrophobicContact CD2-CG 4.15Å |
| 136 | G | 81.1 | Confident | 89 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 58% | 0.577 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -164.6 | 29.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | N34 R131 W134 | N34-G136 PolarHBondContact ND2-N 3.28Å; R131-G136 PolarHBondContact O-N 3.25Å; W134-G136 VanDerWaalsContact C-N 3.34Å; W134-G136 PolarHBondContact O-N 3.45Å |
| 137 | G | 82 | Confident | 88.9 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -104.5 | -161.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S132 L133 N139 N141 | S132-G137 WeakPolarHBondContact O-CA 3.39Å; L133-G137 CarbonylContact O-C 3.57Å; L133-G137 WeakPolarHBondContact O-CA 3.29Å; G137-N139 VanDerWaalsContact C-N 3.33Å; G137-N139 PolarHBondContact O-N 3.03Å; G137-N141 PolarHBondContact O-N 3.38Å |
| 138 | Q | 80.7 | Confident | 88.7 | Confident | 161 Ų | 161 | 60.5 Ų | 60.5 | 75% | 0.752 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -63.9 | -37.8 | -179.6 | -172.9 | 174 | 0.6 | 0 | 0 | 112.2 | T140 N141 | Q138-T140 VanDerWaalsContact C-N 3.32Å; Q138-T140 PolarHBondContact O-N 2.92Å; Q138-N141 WeakPolarHBondContact O-CB 3.28Å; Q138-N141 PolarHBondContact O-N 2.8Å |
| 139 | N | 83.9 | Confident | 88.6 | Confident | 41 Ų | 41 | 59 Ų | 59 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -31.6 | -175.3 | -65.3 | -1.6 | 0 | 0 | 0 | 112.3 | L133 W134 G137 N192 | L133-N139 PolarHBondContact O-N 3.14Å; W134-N139 HydrophobicContact CE3-CB 4.04Å; W134-N139 VanDerWaalsContact CH2-ND2 3.29Å; W134-N139 WeakPolarHBondContact CH2-ND2 3.17Å; W134-N139 WeakPolarHBondContact CZ2-ND2 3.32Å; W134-N139 HydrophobicContact CZ3-CB 4.08Å; W134-N139 WeakPolarHBondContact CZ3-ND2 3.45Å; G137-N139 VanDerWaalsContact C-N 3.33Å; G137-N139 PolarHBondContact O-N 3.03Å; N139-N192 HydrophobicContact CB-CB 4.35Å; N139-N192 WeakPolarHBondContact O-CB 3.35Å; N139-N192 PolarHBondContact O-ND2 3.39Å |
| 140 | T | 84.8 | Confident | 88.6 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 22.5 | 179.5 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | L30 W134 Q138 V142 Y189 I193 A196 | L30-T140 HydrophobicContact CD1-CG2 4.25Å; W134-T140 WeakPolarHBondContact O-CB 3.09Å; W134-T140 WeakPolarHBondContact O-CG2 3.48Å; W134-T140 PolarHBondContact O-OG1 3.06Å; Q138-T140 VanDerWaalsContact C-N 3.32Å; Q138-T140 PolarHBondContact O-N 2.92Å; T140-V142 PolarHBondContact O-N 3.09Å; T140-V142 VanDerWaalsContact O-N 3.13Å; T140-Y189 PolarHBondContact O-OH 3.32Å; T140-I193 HydrophobicContact CG2-CD1 3.92Å; T140-A196 HydrophobicContact CG2-CB 3.77Å |
| 141 | N | 84.5 | Confident | 88.6 | Confident | 70 Ų | 70 | 63.3 Ų | 63.3 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | trans | -72.7 | 108.1 | -179.2 | -170.8 | -26.1 | 0 | 0 | 0 | 112.3 | G137 Q138 K143 | G137-N141 PolarHBondContact O-N 3.38Å; Q138-N141 WeakPolarHBondContact O-CB 3.28Å; Q138-N141 PolarHBondContact O-N 2.8Å; N141-K143 PolarHBondContact O-N 3.09Å; N141-K143 VanDerWaalsContact O-N 3.16Å; N141-K143 VanDerWaalsContact OD1-CB 3.25Å; N141-K143 WeakPolarHBondContact OD1-CB 3.44Å; N141-K143 WeakPolarHBondContact OD1-CG 3.49Å; N141-K143 PolarHBondContact OD1-N 3.07Å | ||
| 142 | V | 88.9 | Confident | 88.7 | Confident | 39 Ų | 39 | 61 Ų | 61 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.8 | -30.8 | 179.5 | -172 | 0 | 0 | 0 | 0 | 113 | E27 T140 A144 F145 Q146 Y189 | E27-V142 HydrophobicContact CG-CG2 4.41Å; T140-V142 PolarHBondContact O-N 3.09Å; T140-V142 VanDerWaalsContact O-N 3.13Å; V142-A144 PolarHBondContact O-N 3.31Å; V142-F145 PolarHBondContact O-N 2.94Å; V142-Q146 HydrophobicContact CG1-CG 3.73Å; V142-Q146 WeakPolarHBondContact O-CB 3.38Å; V142-Q146 WeakPolarHBondContact O-CG 3.25Å; V142-Q146 PolarHBondContact O-N 2.96Å; V142-Y189 VanDerWaalsContact CG2-OH 3.24Å; V142-Y189 WeakPolarHBondContact CG2-OH 3.11Å |
| 143 | K | 89.9 | Confident | 88.9 | Confident | 160 Ų | 160 | 59.9 Ų | 59.9 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | -170.3 | -65.9 | -178.4 | 177.5 | 179.9 | 0 | 113.4 | N141 K147 | N141-K143 PolarHBondContact O-N 3.09Å; N141-K143 VanDerWaalsContact O-N 3.16Å; N141-K143 VanDerWaalsContact OD1-CB 3.25Å; N141-K143 WeakPolarHBondContact OD1-CB 3.44Å; N141-K143 WeakPolarHBondContact OD1-CG 3.49Å; N141-K143 PolarHBondContact OD1-N 3.07Å; K143-K147 VanDerWaalsContact O-CB 3.29Å; K143-K147 WeakPolarHBondContact O-CB 3.45Å; K143-K147 PolarHBondContact O-N 3.45Å |
| 144 | A | 87.4 | Confident | 89.2 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -45.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V142 K147 E148 | V142-A144 PolarHBondContact O-N 3.31Å; A144-K147 PolarHBondContact O-N 3.42Å; A144-E148 PolarHBondContact O-N 2.84Å |
| 145 | F | 91.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 176.8 | 173.2 | -121.5 | 0 | 0 | 0 | 112.4 | R20 L23 V142 K147 E148 T149 Y182 A186 Y189 | R20-F145 VanDerWaalsContact NH1-CE1 3.28Å; L23-F145 HydrophobicContact CD2-CD1 4.47Å; L23-F145 HydrophobicContact CD2-CE1 3.7Å; V142-F145 PolarHBondContact O-N 2.94Å; F145-K147 VanDerWaalsContact C-N 3.34Å; F145-K147 PolarHBondContact O-N 2.97Å; F145-E148 PolarHBondContact O-N 2.76Å; F145-T149 WeakPolarHBondContact O-CB 3.41Å; F145-T149 PolarHBondContact O-N 2.77Å; F145-T149 PolarHBondContact O-OG1 3.32Å; F145-Y182 AromaticContact CE2-CE2 3.99Å; F145-Y182 HydrophobicContact CE2-CE2 3.99Å; F145-A186 HydrophobicContact CD2-CB 4.2Å; F145-A186 HydrophobicContact CE2-CB 3.53Å; F145-A186 HydrophobicContact CZ-CB 4.4Å; F145-Y189 HydrophobicContact CB-CD1 3.85Å; F145-Y189 HydrophobicContact CB-CD2 4.2Å; F145-Y189 HydrophobicContact CB-CE1 4.32Å; F145-Y189 HydrophobicContact CB-CG 3.78Å; F145-Y189 AromaticContact CD1-CD1 3.39Å; F145-Y189 HydrophobicContact CD1-CD1 3.39Å; F145-Y189 AromaticContact CD1-CE1 3.64Å; F145-Y189 HydrophobicContact CD1-CE1 3.64Å; F145-Y189 HydrophobicContact CD1-CG 4.2Å; F145-Y189 HydrophobicContact CD2-CD1 4.34Å; F145-Y189 AromaticContact CE1-CD1 3.99Å; F145-Y189 HydrophobicContact CE1-CD1 3.99Å; F145-Y189 HydrophobicContact CE1-CE1 4.3Å; F145-Y189 AromaticContact CG-CD1 3.58Å; F145-Y189 HydrophobicContact CG-CD1 3.58Å; F145-Y189 HydrophobicContact CG-CE1 4.19Å; F145-Y189 AromaticContact CG-CG 3.93Å; F145-Y189 HydrophobicContact CG-CG 3.93Å |
| 146 | Q | 91.4 | Very high | 89.7 | Confident | 108 Ų | 108 | 65.2 Ų | 65.2 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 176.5 | -78.8 | -179.7 | -12.9 | 0 | 0 | 112.8 | V142 T149 K150 | V142-Q146 HydrophobicContact CG1-CG 3.73Å; V142-Q146 WeakPolarHBondContact O-CB 3.38Å; V142-Q146 WeakPolarHBondContact O-CG 3.25Å; V142-Q146 PolarHBondContact O-N 2.96Å; Q146-T149 PolarHBondContact O-N 3.13Å; Q146-K150 WeakPolarHBondContact O-CB 3.46Å; Q146-K150 PolarHBondContact O-N 3.27Å |
| 147 | K | 92.4 | Very high | 90.3 | Very high | 140 Ų | 140 | 68.8 Ų | 68.8 | 61% | 0.609 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.8 | -47.1 | 176.1 | -177 | -177.6 | 177 | -172.4 | 0 | 110.7 | K143 A144 F145 K150 N151 | K143-K147 VanDerWaalsContact O-CB 3.29Å; K143-K147 WeakPolarHBondContact O-CB 3.45Å; K143-K147 PolarHBondContact O-N 3.45Å; A144-K147 PolarHBondContact O-N 3.42Å; F145-K147 VanDerWaalsContact C-N 3.34Å; F145-K147 PolarHBondContact O-N 2.97Å; K147-K150 PolarHBondContact O-N 3.43Å; K147-N151 PolarHBondContact O-N 3.46Å; K147-N151 PolarHBondContact O-ND2 3.16Å; K147-N151 PolarHBondContact O-OD1 3.36Å |
| 148 | E | 92.1 | Very high | 90.8 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 179.3 | -159.3 | 60.6 | -155.7 | 0 | 0 | 111.7 | A144 F145 K150 N151 F152 K185 | A144-E148 PolarHBondContact O-N 2.84Å; F145-E148 PolarHBondContact O-N 2.76Å; E148-K150 VanDerWaalsContact C-N 3.35Å; E148-K150 PolarHBondContact O-N 3.17Å; E148-N151 PolarHBondContact O-N 2.97Å; E148-F152 WeakPolarHBondContact O-CB 3.5Å; E148-F152 PolarHBondContact O-N 2.95Å; E148-K185 HydrophobicContact CB-CB 4.39Å; E148-K185 HydrophobicContact CB-CG 4.25Å; E148-K185 HydrophobicContact CG-CB 3.99Å; E148-K185 HydrophobicContact CG-CG 4.26Å |
| 149 | T | 93.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 70.5 Ų | 70.5 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.2 | -50.5 | 172.6 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | F145 Q146 N151 F152 C153 Y182 | F145-T149 WeakPolarHBondContact O-CB 3.41Å; F145-T149 PolarHBondContact O-N 2.77Å; F145-T149 PolarHBondContact O-OG1 3.32Å; Q146-T149 PolarHBondContact O-N 3.13Å; T149-N151 PolarHBondContact O-N 3.11Å; T149-F152 PolarHBondContact O-N 3.39Å; T149-C153 PolarHBondContact O-N 3.12Å; T149-C153 PolarHBondContact O-SG 3.28Å; T149-Y182 HydrophobicContact CG2-CE2 4.29Å |
| 150 | K | 94 | Very high | 91.6 | Very high | 128 Ų | 128 | 72.3 Ų | 72.3 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | -179.7 | -177.9 | 177.5 | 178 | 178.3 | 0 | 111.9 | Q146 K147 E148 F152 C153 Q154 | Q146-K150 WeakPolarHBondContact O-CB 3.46Å; Q146-K150 PolarHBondContact O-N 3.27Å; K147-K150 PolarHBondContact O-N 3.43Å; E148-K150 VanDerWaalsContact C-N 3.35Å; E148-K150 PolarHBondContact O-N 3.17Å; K150-F152 VanDerWaalsContact C-N 3.32Å; K150-F152 PolarHBondContact O-N 3.42Å; K150-C153 PolarHBondContact O-N 2.74Å; K150-Q154 HydrophobicContact CG-CG 4.43Å; K150-Q154 WeakPolarHBondContact O-CB 3.42Å; K150-Q154 VanDerWaalsContact O-CG 3.25Å; K150-Q154 WeakPolarHBondContact O-CG 3.28Å; K150-Q154 PolarHBondContact O-N 3.05Å |
| 151 | N | 93.4 | Very high | 91.9 | Very high | 65 Ų | 65 | 76.2 Ų | 76.2 | 35% | 0.348 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 177.8 | -70.5 | -14.4 | 0 | 0 | 0 | 110.9 | K147 E148 T149 Q154 Y155 | K147-N151 PolarHBondContact O-N 3.46Å; K147-N151 PolarHBondContact O-ND2 3.16Å; K147-N151 PolarHBondContact O-OD1 3.36Å; E148-N151 PolarHBondContact O-N 2.97Å; T149-N151 PolarHBondContact O-N 3.11Å; N151-Q154 PolarHBondContact O-N 3.19Å; N151-Y155 WeakPolarHBondContact O-CB 3.44Å; N151-Y155 PolarHBondContact O-N 2.99Å |
| 152 | F | 95 | Very high | 92.1 | Very high | 21 Ų | 21 | 75.2 Ų | 75.2 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 178.3 | 173.3 | -107.8 | 0 | 0 | 0 | 112.4 | E148 T149 K150 Q154 Y155 L156 M175 R179 Y182 | E148-F152 WeakPolarHBondContact O-CB 3.5Å; E148-F152 PolarHBondContact O-N 2.95Å; T149-F152 PolarHBondContact O-N 3.39Å; K150-F152 VanDerWaalsContact C-N 3.32Å; K150-F152 PolarHBondContact O-N 3.42Å; F152-Q154 PolarHBondContact O-N 3.07Å; F152-Y155 PolarHBondContact O-N 3.05Å; F152-L156 WeakPolarHBondContact O-CB 3.4Å; F152-L156 PolarHBondContact O-N 3.3Å; F152-M175 HydrophobicContact CD2-CE 4.2Å; F152-M175 HydrophobicContact CE2-CE 3.35Å; F152-M175 HydrophobicContact CZ-CE 3.93Å; F152-R179 VanDerWaalsContact CE2-CA 3.45Å; F152-R179 HydrophobicContact CE2-CB 3.67Å; F152-R179 HydrophobicContact CE2-CG 4.03Å; F152-R179 HydrophobicContact CZ-CB 4.29Å; F152-R179 HydrophobicContact CZ-CG 4.16Å; F152-Y182 HydrophobicContact CB-CD2 4.12Å; F152-Y182 HydrophobicContact CB-CG 4.02Å; F152-Y182 AromaticContact CD1-CD1 3.84Å; F152-Y182 HydrophobicContact CD1-CD1 3.84Å; F152-Y182 HydrophobicContact CD1-CD2 4.26Å; F152-Y182 HydrophobicContact CD1-CE1 4.25Å; F152-Y182 AromaticContact CD1-CG 3.85Å; F152-Y182 HydrophobicContact CD1-CG 3.85Å; F152-Y182 HydrophobicContact CD2-CG 4.32Å; F152-Y182 AromaticContact CE1-CD1 3.98Å; F152-Y182 HydrophobicContact CE1-CD1 3.98Å; F152-Y182 HydrophobicContact CE1-CE1 4.29Å; F152-Y182 HydrophobicContact CE1-CG 4.43Å; F152-Y182 HydrophobicContact CG-CD1 4.15Å; F152-Y182 HydrophobicContact CG-CD2 4.29Å; F152-Y182 AromaticContact CG-CG 3.78Å; F152-Y182 HydrophobicContact CG-CG 3.78Å; F152-Y182 HydrophobicContact CZ-CD1 4.41Å |
| 153 | C | 94.5 | Very high | 92 | Very high | 47 Ų | 47 | 80.3 Ų | 80.3 | 32% | 0.318 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.2 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | T149 K150 Y155 L156 E157 | T149-C153 PolarHBondContact O-N 3.12Å; T149-C153 PolarHBondContact O-SG 3.28Å; K150-C153 PolarHBondContact O-N 2.74Å; C153-Y155 VanDerWaalsContact C-N 3.31Å; C153-Y155 PolarHBondContact O-N 2.72Å; C153-L156 PolarHBondContact O-N 3.31Å; C153-E157 WeakPolarHBondContact O-CG 3.49Å; C153-E157 PolarHBondContact O-N 3.09Å |
| 154 | Q | 94.9 | Very high | 91.5 | Very high | 80 Ų | 80 | 78.2 Ų | 78.2 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 177.1 | -72.6 | -178.3 | -14 | 0 | 0 | 112.4 | K150 N151 F152 K158 | K150-Q154 HydrophobicContact CG-CG 4.43Å; K150-Q154 WeakPolarHBondContact O-CB 3.42Å; K150-Q154 VanDerWaalsContact O-CG 3.25Å; K150-Q154 WeakPolarHBondContact O-CG 3.28Å; K150-Q154 PolarHBondContact O-N 3.05Å; N151-Q154 PolarHBondContact O-N 3.19Å; F152-Q154 PolarHBondContact O-N 3.07Å; Q154-K158 VanDerWaalsContact O-CG 3.28Å; Q154-K158 WeakPolarHBondContact O-CG 3.39Å; Q154-K158 PolarHBondContact O-N 3.37Å |
| 155 | Y | 94.1 | Very high | 91.3 | Very high | 53 Ų | 53 | 85.3 Ų | 85.3 | 21% | 0.208 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.1 | -41.6 | 176.5 | -166.1 | -84.8 | 0 | 0 | 0 | 111.2 | N151 F152 C153 K158 Y159 K174 M175 E178 | N151-Y155 WeakPolarHBondContact O-CB 3.44Å; N151-Y155 PolarHBondContact O-N 2.99Å; F152-Y155 PolarHBondContact O-N 3.05Å; C153-Y155 VanDerWaalsContact C-N 3.31Å; C153-Y155 PolarHBondContact O-N 2.72Å; Y155-K158 PolarHBondContact O-N 3.27Å; Y155-Y159 VanDerWaalsContact O-CB 3.32Å; Y155-Y159 WeakPolarHBondContact O-CB 3.35Å; Y155-Y159 PolarHBondContact O-N 3.34Å; Y155-K174 WeakPolarHBondContact OH-CD 3.33Å; Y155-K174 WeakPolarHBondContact OH-CE 3.38Å; Y155-K174 WeakPolarHBondContact OH-CG 3.42Å; Y155-M175 HydrophobicContact CD1-SD 3.57Å; Y155-M175 VanDerWaalsContact CD1-SD 3.57Å; Y155-M175 HydrophobicContact CE1-CB 4.05Å; Y155-M175 HydrophobicContact CE1-SD 3.92Å; Y155-E178 HydrophobicContact CD1-CB 4.26Å; Y155-E178 HydrophobicContact CD1-CG 3.99Å; Y155-E178 HydrophobicContact CD2-CG 4.28Å; Y155-E178 HydrophobicContact CE1-CG 4.13Å; Y155-E178 HydrophobicContact CE2-CG 4.39Å; Y155-E178 HydrophobicContact CG-CG 4.09Å |
| 156 | L | 93.6 | Very high | 90.7 | Very high | 61 Ų | 61 | 91.1 Ų | 91.1 | 32% | 0.319 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.6 | 179.1 | 64.8 | 0 | 0 | 0 | 111.9 | F152 C153 Y159 A160 M175 | F152-L156 WeakPolarHBondContact O-CB 3.4Å; F152-L156 PolarHBondContact O-N 3.3Å; C153-L156 PolarHBondContact O-N 3.31Å; L156-Y159 PolarHBondContact O-N 2.95Å; L156-A160 VanDerWaalsContact O-CB 3.28Å; L156-A160 WeakPolarHBondContact O-CB 3.46Å; L156-A160 PolarHBondContact O-N 3.5Å; L156-M175 HydrophobicContact CB-CE 4.17Å; L156-M175 HydrophobicContact CB-SD 4.46Å; L156-M175 HydrophobicContact CD1-CE 3.62Å; L156-M175 HydrophobicContact CD1-SD 4.09Å; L156-M175 HydrophobicContact CG-CE 4.45Å |
| 157 | E | 94.2 | Very high | 90.2 | Very high | 131 Ų | 131 | 90.8 Ų | 90.8 | 61% | 0.612 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 175.2 | -74.9 | 172.3 | -172.7 | 0 | 0 | 111.7 | C153 A160 S161 | C153-E157 WeakPolarHBondContact O-CG 3.49Å; C153-E157 PolarHBondContact O-N 3.09Å; E157-A160 PolarHBondContact O-N 3.49Å; E157-S161 WeakPolarHBondContact O-CB 3.37Å; E157-S161 PolarHBondContact O-N 3.36Å; E157-S161 VanDerWaalsContact O-N 3.07Å; E157-S161 PolarHBondContact O-OG 3.45Å |
| 158 | K | 91.8 | Very high | 89.8 | Confident | 145 Ų | 145 | 87.4 Ų | 87.4 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.8 | -46.6 | 176.4 | -74.5 | 173.4 | -177 | 178.2 | 0 | 111.4 | Q154 Y155 S161 I162 | Q154-K158 VanDerWaalsContact O-CG 3.28Å; Q154-K158 WeakPolarHBondContact O-CG 3.39Å; Q154-K158 PolarHBondContact O-N 3.37Å; Y155-K158 PolarHBondContact O-N 3.27Å; K158-S161 PolarHBondContact O-N 3.39Å; K158-I162 PolarHBondContact O-N 3.14Å |
| 159 | Y | 92.3 | Very high | 89.3 | Confident | 63 Ų | 63 | 93.4 Ų | 93.4 | 25% | 0.247 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 177.8 | 169.9 | -93.5 | 0 | 0 | 0 | 111.7 | Y155 L156 S161 I162 N171 D172 M175 | Y155-Y159 VanDerWaalsContact O-CB 3.32Å; Y155-Y159 WeakPolarHBondContact O-CB 3.35Å; Y155-Y159 PolarHBondContact O-N 3.34Å; L156-Y159 PolarHBondContact O-N 2.95Å; Y159-S161 PolarHBondContact O-N 3.26Å; Y159-I162 HydrophobicContact CD2-CD1 4.21Å; Y159-I162 WeakPolarHBondContact O-CB 3.23Å; Y159-I162 WeakPolarHBondContact O-CG1 3.27Å; Y159-I162 PolarHBondContact O-N 2.95Å; Y159-N171 HydrophobicContact CD2-CB 4.37Å; Y159-N171 HydrophobicContact CE2-CB 4.25Å; Y159-D172 WeakPolarHBondContact CE2-OD1 3.32Å; Y159-D172 PolarHBondContact OH-OD1 3.45Å; Y159-M175 HydrophobicContact CD1-CB 4.44Å; Y159-M175 HydrophobicContact CD1-CG 3.81Å; Y159-M175 HydrophobicContact CD1-SD 4.16Å; Y159-M175 HydrophobicContact CD2-CB 3.72Å; Y159-M175 HydrophobicContact CD2-CG 4.01Å; Y159-M175 HydrophobicContact CE1-CG 4.02Å; Y159-M175 HydrophobicContact CE2-CB 3.85Å; Y159-M175 HydrophobicContact CE2-CG 4.19Å; Y159-M175 HydrophobicContact CG-CB 4.02Å; Y159-M175 HydrophobicContact CG-CG 3.81Å; Y159-M175 HydrophobicContact CG-SD 4.05Å |
| 160 | A | 90 | Very high | 89 | Confident | 79 Ų | 79 | 98.1 Ų | 98.1 | 65% | 0.653 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.5 | -21.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L156 E157 | L156-A160 VanDerWaalsContact O-CB 3.28Å; L156-A160 WeakPolarHBondContact O-CB 3.46Å; L156-A160 PolarHBondContact O-N 3.5Å; E157-A160 PolarHBondContact O-N 3.49Å |
| 161 | S | 91 | Very high | 88.7 | Confident | 94 Ų | 94 | 93.9 Ų | 93.9 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.6 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | E157 K158 Y159 K163 | E157-S161 WeakPolarHBondContact O-CB 3.37Å; E157-S161 PolarHBondContact O-N 3.36Å; E157-S161 VanDerWaalsContact O-N 3.07Å; E157-S161 PolarHBondContact O-OG 3.45Å; K158-S161 PolarHBondContact O-N 3.39Å; Y159-S161 PolarHBondContact O-N 3.26Å; S161-K163 PolarHBondContact O-N 3.46Å |
| 162 | I | 88.8 | Confident | 88.5 | Confident | 49 Ų | 49 | 93.7 Ų | 93.7 | 25% | 0.251 | 48% | 0.48 | S | S | . | . | trans | -65.5 | 125.6 | 178.6 | -63.4 | 172.8 | 0 | 0 | 0 | 109 | K158 Y159 E166 N171 | K158-I162 PolarHBondContact O-N 3.14Å; Y159-I162 HydrophobicContact CD2-CD1 4.21Å; Y159-I162 WeakPolarHBondContact O-CB 3.23Å; Y159-I162 WeakPolarHBondContact O-CG1 3.27Å; Y159-I162 PolarHBondContact O-N 2.95Å; I162-E166 HydrophobicContact CG2-CB 4.04Å; I162-N171 HydrophobicContact CD1-CB 4.28Å; I162-N171 WeakPolarHBondContact CD1-ND2 3.49Å | ||
| 163 | K | 85.5 | Confident | 88.3 | Confident | 145 Ų | 145 | 95.5 Ų | 95.5 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | trans | -69.4 | 144.7 | 178.7 | -66.1 | 176.9 | -176.6 | 170.7 | 0 | 109.4 | S161 K165 E166 F167 | S161-K163 PolarHBondContact O-N 3.46Å; K163-K165 PolarHBondContact O-N 2.94Å; K163-E166 PolarHBondContact O-N 3.36Å; K163-F167 PolarHBondContact O-N 3.38Å | ||
| 164 | S | 80.5 | Confident | 88.1 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 81% | 0.811 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -24.4 | -178.5 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 165 | K | 82.9 | Confident | 88 | Confident | 201 Ų | 201 | 95 Ų | 95 | 87% | 0.874 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -21 | 175.9 | -65.2 | -174.5 | 178.7 | -177.6 | 0 | 114.8 | K163 | K163-K165 PolarHBondContact O-N 2.94Š|
| 166 | E | 79.2 | Confident | 87.9 | Confident | 125 Ų | 125 | 96.9 Ų | 96.9 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 0.4 | -177.1 | -68 | 169.6 | -170.2 | 0 | 0 | 112.3 | I162 K163 | I162-E166 HydrophobicContact CG2-CB 4.04Å; K163-E166 PolarHBondContact O-N 3.36Å |
| 167 | F | 80.9 | Confident | 87.9 | Confident | 101 Ų | 101 | 98.3 Ų | 98.3 | 44% | 0.443 | 51% | 0.509 | S | S | . | . | trans | -70.1 | 133.1 | -177.1 | 179.8 | -91.5 | 0 | 0 | 0 | 111.9 | K163 D172 | K163-F167 PolarHBondContact O-N 3.38Å; F167-D172 WeakPolarHBondContact CE2-OD1 3.43Å; F167-D172 VanDerWaalsContact CZ-CG 3.47Å; F167-D172 WeakPolarHBondContact CZ-OD1 3.44Å; F167-D172 WeakPolarHBondContact CZ-OD2 3.42Å | ||
| 168 | T | 82.8 | Confident | 87.9 | Confident | 69 Ų | 69 | 94.4 Ų | 94.4 | 42% | 0.423 | 49% | 0.49 | S | S | . | . | trans | -132.6 | 153.7 | 171.3 | 78.1 | 0 | 0 | 0 | 0 | 110.5 | D170 N171 | T168-D170 PolarHBondContact O-N 3Å; T168-N171 WeakPolarHBondContact CB-OD1 3.27Å; T168-N171 PolarHBondContact N-OD1 3.36Å; T168-N171 WeakPolarHBondContact O-CB 3.41Å; T168-N171 PolarHBondContact O-N 3.35Å; T168-N171 PolarHBondContact O-OD1 3.41Å; T168-N171 PolarHBondContact OG1-OD1 2.99Å | ||
| 169 | E | 82 | Confident | 88 | Confident | 171 Ų | 171 | 93 Ų | 93 | 80% | 0.799 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.9 | -26.6 | 176.2 | -70.9 | -177.6 | 168.3 | 0 | 0 | 113.1 | N171 D172 A173 | E169-N171 VanDerWaalsContact C-N 3.3Å; E169-N171 PolarHBondContact O-N 3.32Å; E169-D172 PolarHBondContact O-N 3.2Å; E169-A173 PolarHBondContact O-N 3.36Å; E169-A173 VanDerWaalsContact O-N 3.11Å |
| 170 | D | 86.8 | Confident | 88.1 | Confident | 116 Ų | 116 | 95.4 Ų | 95.4 | 62% | 0.62 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.5 | -32.7 | 176 | -172.3 | 54.8 | 0 | 0 | 0 | 112 | T168 D172 A173 K174 | T168-D170 PolarHBondContact O-N 3Å; D170-D172 VanDerWaalsContact C-N 3.33Å; D170-D172 PolarHBondContact O-N 3.46Å; D170-A173 PolarHBondContact O-N 3.18Å; D170-K174 VanDerWaalsContact O-CB 3.31Å; D170-K174 WeakPolarHBondContact O-CB 3.3Å; D170-K174 PolarHBondContact O-N 2.74Å |
| 171 | N | 88.1 | Confident | 88.2 | Confident | 39 Ų | 39 | 94.5 Ų | 94.5 | 21% | 0.209 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.1 | -64.3 | 91.3 | 0 | 0 | 0 | 111.2 | Y159 I162 T168 E169 M175 | Y159-N171 HydrophobicContact CD2-CB 4.37Å; Y159-N171 HydrophobicContact CE2-CB 4.25Å; I162-N171 HydrophobicContact CD1-CB 4.28Å; I162-N171 WeakPolarHBondContact CD1-ND2 3.49Å; T168-N171 WeakPolarHBondContact CB-OD1 3.27Å; T168-N171 PolarHBondContact N-OD1 3.36Å; T168-N171 WeakPolarHBondContact O-CB 3.41Å; T168-N171 PolarHBondContact O-N 3.35Å; T168-N171 PolarHBondContact O-OD1 3.41Å; T168-N171 PolarHBondContact OG1-OD1 2.99Å; E169-N171 VanDerWaalsContact C-N 3.3Å; E169-N171 PolarHBondContact O-N 3.32Å; N171-M175 WeakPolarHBondContact O-CB 3.47Å; N171-M175 PolarHBondContact O-N 3.49Å |
| 172 | D | 88.7 | Confident | 88.3 | Confident | 62 Ų | 62 | 90.3 Ų | 90.3 | 33% | 0.332 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 178.6 | -78.6 | 20.7 | 0 | 0 | 0 | 111.4 | Y159 F167 E169 D170 K174 M175 L176 | Y159-D172 WeakPolarHBondContact CE2-OD1 3.32Å; Y159-D172 PolarHBondContact OH-OD1 3.45Å; F167-D172 WeakPolarHBondContact CE2-OD1 3.43Å; F167-D172 VanDerWaalsContact CZ-CG 3.47Å; F167-D172 WeakPolarHBondContact CZ-OD1 3.44Å; F167-D172 WeakPolarHBondContact CZ-OD2 3.42Å; E169-D172 PolarHBondContact O-N 3.2Å; D170-D172 VanDerWaalsContact C-N 3.33Å; D170-D172 PolarHBondContact O-N 3.46Å; D172-K174 VanDerWaalsContact C-N 3.28Å; D172-K174 PolarHBondContact O-N 2.83Å; D172-M175 PolarHBondContact O-N 3.26Å; D172-L176 WeakPolarHBondContact O-CB 3.48Å; D172-L176 PolarHBondContact O-N 2.94Å |
| 173 | A | 91.4 | Very high | 88.6 | Confident | 58 Ų | 58 | 89.8 Ų | 89.8 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | E169 D170 L176 Q177 | E169-A173 PolarHBondContact O-N 3.36Å; E169-A173 VanDerWaalsContact O-N 3.11Å; D170-A173 PolarHBondContact O-N 3.18Å; A173-L176 PolarHBondContact O-N 2.91Å; A173-Q177 WeakPolarHBondContact O-CB 3.4Å; A173-Q177 PolarHBondContact O-N 3.15Å |
| 174 | K | 91.3 | Very high | 89 | Confident | 106 Ų | 106 | 85.6 Ų | 85.6 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 178 | -168.9 | 171.8 | 170.8 | 179.7 | 0 | 112.4 | Y155 D170 D172 L176 Q177 E178 | Y155-K174 WeakPolarHBondContact OH-CD 3.33Å; Y155-K174 WeakPolarHBondContact OH-CE 3.38Å; Y155-K174 WeakPolarHBondContact OH-CG 3.42Å; D170-K174 VanDerWaalsContact O-CB 3.31Å; D170-K174 WeakPolarHBondContact O-CB 3.3Å; D170-K174 PolarHBondContact O-N 2.74Å; D172-K174 VanDerWaalsContact C-N 3.28Å; D172-K174 PolarHBondContact O-N 2.83Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 2.94Å; K174-Q177 WeakPolarHBondContact O-CB 3.31Å; K174-Q177 PolarHBondContact O-N 2.88Å; K174-Q177 VanDerWaalsContact O-N 3.16Å; K174-E178 WeakPolarHBondContact O-CG 3.41Å; K174-E178 PolarHBondContact O-N 3.34Å |
| 175 | M | 91.9 | Very high | 89.6 | Confident | 10 Ų | 10 | 83.4 Ų | 83.4 | 5% | 0.049 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 174.7 | 177.4 | 60.4 | -137 | 0 | 0 | 112 | F152 Y155 L156 Y159 N171 D172 Q177 E178 R179 | F152-M175 HydrophobicContact CD2-CE 4.2Å; F152-M175 HydrophobicContact CE2-CE 3.35Å; F152-M175 HydrophobicContact CZ-CE 3.93Å; Y155-M175 HydrophobicContact CD1-SD 3.57Å; Y155-M175 VanDerWaalsContact CD1-SD 3.57Å; Y155-M175 HydrophobicContact CE1-CB 4.05Å; Y155-M175 HydrophobicContact CE1-SD 3.92Å; L156-M175 HydrophobicContact CB-CE 4.17Å; L156-M175 HydrophobicContact CB-SD 4.46Å; L156-M175 HydrophobicContact CD1-CE 3.62Å; L156-M175 HydrophobicContact CD1-SD 4.09Å; L156-M175 HydrophobicContact CG-CE 4.45Å; Y159-M175 HydrophobicContact CD1-CB 4.44Å; Y159-M175 HydrophobicContact CD1-CG 3.81Å; Y159-M175 HydrophobicContact CD1-SD 4.16Å; Y159-M175 HydrophobicContact CD2-CB 3.72Å; Y159-M175 HydrophobicContact CD2-CG 4.01Å; Y159-M175 HydrophobicContact CE1-CG 4.02Å; Y159-M175 HydrophobicContact CE2-CB 3.85Å; Y159-M175 HydrophobicContact CE2-CG 4.19Å; Y159-M175 HydrophobicContact CG-CB 4.02Å; Y159-M175 HydrophobicContact CG-CG 3.81Å; Y159-M175 HydrophobicContact CG-SD 4.05Å; N171-M175 WeakPolarHBondContact O-CB 3.47Å; N171-M175 PolarHBondContact O-N 3.49Å; D172-M175 PolarHBondContact O-N 3.26Å; M175-Q177 VanDerWaalsContact C-N 3.28Å; M175-Q177 PolarHBondContact O-N 2.9Å; M175-E178 PolarHBondContact O-N 2.93Å; M175-R179 HydrophobicContact CE-CB 4.38Å; M175-R179 PolarHBondContact O-N 3.25Å |
| 176 | L | 93 | Very high | 90.2 | Very high | 94 Ų | 94 | 73.9 Ų | 73.9 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 175.7 | -173.2 | 67 | 0 | 0 | 0 | 111.1 | D172 A173 K174 R179 K180 | D172-L176 WeakPolarHBondContact O-CB 3.48Å; D172-L176 PolarHBondContact O-N 2.94Å; A173-L176 PolarHBondContact O-N 2.91Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 2.94Å; L176-R179 PolarHBondContact O-N 3.42Å; L176-K180 WeakPolarHBondContact O-CG 3.37Å; L176-K180 PolarHBondContact O-N 3.35Å |
| 177 | Q | 93.1 | Very high | 90.9 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 43% | 0.425 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 175.8 | -172.1 | 57.8 | 35.7 | 0 | 0 | 112 | A173 K174 M175 R179 K180 N181 | A173-Q177 WeakPolarHBondContact O-CB 3.4Å; A173-Q177 PolarHBondContact O-N 3.15Å; K174-Q177 WeakPolarHBondContact O-CB 3.31Å; K174-Q177 PolarHBondContact O-N 2.88Å; K174-Q177 VanDerWaalsContact O-N 3.16Å; M175-Q177 VanDerWaalsContact C-N 3.28Å; M175-Q177 PolarHBondContact O-N 2.9Å; Q177-R179 VanDerWaalsContact C-N 3.29Å; Q177-R179 PolarHBondContact O-N 3.44Å; Q177-K180 WeakPolarHBondContact O-CB 3.3Å; Q177-K180 PolarHBondContact O-N 3.17Å; Q177-K180 VanDerWaalsContact O-N 3.13Å; Q177-N181 PolarHBondContact NE2-OD1 3.49Å; Q177-N181 PolarHBondContact O-N 3.03Å; Q177-N181 PolarHBondContact O-OD1 3Å |
| 178 | E | 93.5 | Very high | 91.6 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 175.2 | -67 | -55.7 | 153.8 | 0 | 0 | 111.7 | Y155 K174 M175 K180 N181 Y182 | Y155-E178 HydrophobicContact CD1-CB 4.26Å; Y155-E178 HydrophobicContact CD1-CG 3.99Å; Y155-E178 HydrophobicContact CD2-CG 4.28Å; Y155-E178 HydrophobicContact CE1-CG 4.13Å; Y155-E178 HydrophobicContact CE2-CG 4.39Å; Y155-E178 HydrophobicContact CG-CG 4.09Å; K174-E178 WeakPolarHBondContact O-CG 3.41Å; K174-E178 PolarHBondContact O-N 3.34Å; M175-E178 PolarHBondContact O-N 2.93Å; E178-K180 PolarHBondContact O-N 3.36Å; E178-N181 PolarHBondContact O-N 3.37Å; E178-Y182 WeakPolarHBondContact O-CB 3.46Å; E178-Y182 PolarHBondContact O-N 3.41Å |
| 179 | R | 94.4 | Very high | 92.1 | Very high | 116 Ų | 116 | 68 Ų | 68 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 172.5 | -175.7 | 172.7 | -74.3 | -173.6 | -3.3 | 112 | F152 M175 L176 Q177 Y182 I183 | F152-R179 VanDerWaalsContact CE2-CA 3.45Å; F152-R179 HydrophobicContact CE2-CB 3.67Å; F152-R179 HydrophobicContact CE2-CG 4.03Å; F152-R179 HydrophobicContact CZ-CB 4.29Å; F152-R179 HydrophobicContact CZ-CG 4.16Å; M175-R179 HydrophobicContact CE-CB 4.38Å; M175-R179 PolarHBondContact O-N 3.25Å; L176-R179 PolarHBondContact O-N 3.42Å; Q177-R179 VanDerWaalsContact C-N 3.29Å; Q177-R179 PolarHBondContact O-N 3.44Å; R179-Y182 PolarHBondContact O-N 3.36Å; R179-I183 HydrophobicContact CG-CD1 3.8Å; R179-I183 HydrophobicContact CG-CG1 4.4Å; R179-I183 WeakPolarHBondContact O-CB 3.31Å; R179-I183 VanDerWaalsContact O-CG1 3.28Å; R179-I183 WeakPolarHBondContact O-CG1 3.48Å; R179-I183 PolarHBondContact O-N 2.96Å |
| 180 | K | 93.9 | Very high | 92.7 | Very high | 114 Ų | 114 | 59.9 Ų | 59.9 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.5 | -74.5 | 175 | -179.2 | 177.4 | 0 | 111.5 | L176 Q177 E178 I183 A184 | L176-K180 WeakPolarHBondContact O-CG 3.37Å; L176-K180 PolarHBondContact O-N 3.35Å; Q177-K180 WeakPolarHBondContact O-CB 3.3Å; Q177-K180 PolarHBondContact O-N 3.17Å; Q177-K180 VanDerWaalsContact O-N 3.13Å; E178-K180 PolarHBondContact O-N 3.36Å; K180-I183 PolarHBondContact O-N 3.45Å; K180-A184 VanDerWaalsContact O-CB 3.31Å; K180-A184 WeakPolarHBondContact O-CB 3.32Å; K180-A184 PolarHBondContact O-N 2.75Å |
| 181 | N | 92.3 | Very high | 93.1 | Very high | 59 Ų | 59 | 56.8 Ų | 56.8 | 32% | 0.316 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 177.6 | -64.4 | -15.1 | 0 | 0 | 0 | 111.2 | Q177 E178 A184 K185 | Q177-N181 PolarHBondContact NE2-OD1 3.49Å; Q177-N181 PolarHBondContact O-N 3.03Å; Q177-N181 PolarHBondContact O-OD1 3Å; E178-N181 PolarHBondContact O-N 3.37Å; N181-A184 PolarHBondContact O-N 3.22Å; N181-K185 PolarHBondContact O-N 3.43Å |
| 182 | Y | 94.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.2 | -53.5 | 174.7 | 166.4 | -107.9 | 0 | 0 | 0 | 111.9 | D15 R20 F145 T149 F152 E178 R179 A184 K185 A186 | D15-Y182 PolarHBondContact OD2-OH 3.21Å; R20-Y182 PolarHBondContact NH2-OH 3.49Å; F145-Y182 AromaticContact CE2-CE2 3.99Å; F145-Y182 HydrophobicContact CE2-CE2 3.99Å; T149-Y182 HydrophobicContact CG2-CE2 4.29Å; F152-Y182 HydrophobicContact CB-CD2 4.12Å; F152-Y182 HydrophobicContact CB-CG 4.02Å; F152-Y182 AromaticContact CD1-CD1 3.84Å; F152-Y182 HydrophobicContact CD1-CD1 3.84Å; F152-Y182 HydrophobicContact CD1-CD2 4.26Å; F152-Y182 HydrophobicContact CD1-CE1 4.25Å; F152-Y182 AromaticContact CD1-CG 3.85Å; F152-Y182 HydrophobicContact CD1-CG 3.85Å; F152-Y182 HydrophobicContact CD2-CG 4.32Å; F152-Y182 AromaticContact CE1-CD1 3.98Å; F152-Y182 HydrophobicContact CE1-CD1 3.98Å; F152-Y182 HydrophobicContact CE1-CE1 4.29Å; F152-Y182 HydrophobicContact CE1-CG 4.43Å; F152-Y182 HydrophobicContact CG-CD1 4.15Å; F152-Y182 HydrophobicContact CG-CD2 4.29Å; F152-Y182 AromaticContact CG-CG 3.78Å; F152-Y182 HydrophobicContact CG-CG 3.78Å; F152-Y182 HydrophobicContact CZ-CD1 4.41Å; E178-Y182 WeakPolarHBondContact O-CB 3.46Å; E178-Y182 PolarHBondContact O-N 3.41Å; R179-Y182 PolarHBondContact O-N 3.36Å; Y182-A184 VanDerWaalsContact C-N 3.31Å; Y182-A184 PolarHBondContact O-N 3.41Å; Y182-K185 PolarHBondContact O-N 2.95Å; Y182-A186 HydrophobicContact CE2-CB 4.42Å; Y182-A186 VanDerWaalsContact O-CB 3.31Å; Y182-A186 WeakPolarHBondContact O-CB 3.45Å; Y182-A186 PolarHBondContact O-N 3.24Å |
| 183 | I | 94.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 20% | 0.195 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | -178.7 | -69.8 | 171 | 0 | 0 | 0 | 110.7 | V13 R179 K180 K185 A186 F187 | V13-I183 HydrophobicContact CG1-CD1 4.11Å; V13-I183 HydrophobicContact CG2-CD1 4.35Å; V13-I183 HydrophobicContact CG2-CG1 4.39Å; V13-I183 HydrophobicContact CG2-CG2 4.19Å; R179-I183 HydrophobicContact CG-CD1 3.8Å; R179-I183 HydrophobicContact CG-CG1 4.4Å; R179-I183 WeakPolarHBondContact O-CB 3.31Å; R179-I183 VanDerWaalsContact O-CG1 3.28Å; R179-I183 WeakPolarHBondContact O-CG1 3.48Å; R179-I183 PolarHBondContact O-N 2.96Å; K180-I183 PolarHBondContact O-N 3.45Å; I183-K185 VanDerWaalsContact C-N 3.35Å; I183-K185 PolarHBondContact O-N 3.04Å; I183-A186 PolarHBondContact O-N 3.44Å; I183-F187 HydrophobicContact CG2-CD1 4.13Å; I183-F187 HydrophobicContact CG2-CD2 4.13Å; I183-F187 HydrophobicContact CG2-CE1 3.79Å; I183-F187 HydrophobicContact CG2-CE2 3.79Å; I183-F187 HydrophobicContact CG2-CG 4.3Å; I183-F187 HydrophobicContact CG2-CZ 3.61Å; I183-F187 WeakPolarHBondContact O-CB 3.24Å; I183-F187 WeakPolarHBondContact O-CD1 3.39Å; I183-F187 WeakPolarHBondContact O-CG 3.46Å; I183-F187 PolarHBondContact O-N 3.06Å |
| 184 | A | 94.1 | Very high | 93.8 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 48% | 0.479 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K180 N181 Y182 A186 F187 E188 | K180-A184 VanDerWaalsContact O-CB 3.31Å; K180-A184 WeakPolarHBondContact O-CB 3.32Å; K180-A184 PolarHBondContact O-N 2.75Å; N181-A184 PolarHBondContact O-N 3.22Å; Y182-A184 VanDerWaalsContact C-N 3.31Å; Y182-A184 PolarHBondContact O-N 3.41Å; A184-A186 VanDerWaalsContact C-N 3.33Å; A184-A186 PolarHBondContact O-N 3.23Å; A184-F187 PolarHBondContact O-N 3.37Å; A184-E188 PolarHBondContact O-N 3.02Å |
| 185 | K | 92.9 | Very high | 94 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 30% | 0.304 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.7 | -35.5 | 178.4 | -155.2 | 73.8 | -161.9 | 155.2 | 0 | 112.4 | E148 N181 Y182 I183 E188 Y189 | E148-K185 HydrophobicContact CB-CB 4.39Å; E148-K185 HydrophobicContact CB-CG 4.25Å; E148-K185 HydrophobicContact CG-CB 3.99Å; E148-K185 HydrophobicContact CG-CG 4.26Å; N181-K185 PolarHBondContact O-N 3.43Å; Y182-K185 PolarHBondContact O-N 2.95Å; I183-K185 VanDerWaalsContact C-N 3.35Å; I183-K185 PolarHBondContact O-N 3.04Å; K185-E188 WeakPolarHBondContact CE-OE2 3.39Å; K185-E188 VanDerWaalsContact NZ-CD 3.26Å; K185-E188 IonicContact NZ-OE1 3.08Å; K185-E188 PolarHBondContact NZ-OE1 2.85Å; K185-E188 IonicContact NZ-OE2 3.37Å; K185-E188 PolarHBondContact NZ-OE2 3.42Å; K185-Y189 WeakPolarHBondContact O-CB 3.44Å; K185-Y189 PolarHBondContact O-N 3.13Å; K185-Y189 VanDerWaalsContact O-N 3.07Å |
| 186 | A | 94 | Very high | 94 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | C12 F145 Y182 I183 A184 E188 Y189 I190 | C12-A186 WeakPolarHBondContact SG-CB 3.43Å; F145-A186 HydrophobicContact CD2-CB 4.2Å; F145-A186 HydrophobicContact CE2-CB 3.53Å; F145-A186 HydrophobicContact CZ-CB 4.4Å; Y182-A186 HydrophobicContact CE2-CB 4.42Å; Y182-A186 VanDerWaalsContact O-CB 3.31Å; Y182-A186 WeakPolarHBondContact O-CB 3.45Å; Y182-A186 PolarHBondContact O-N 3.24Å; I183-A186 PolarHBondContact O-N 3.44Å; A184-A186 VanDerWaalsContact C-N 3.33Å; A184-A186 PolarHBondContact O-N 3.23Å; A186-E188 PolarHBondContact O-N 2.99Å; A186-Y189 PolarHBondContact O-N 3.23Å; A186-I190 WeakPolarHBondContact O-CB 3.33Å; A186-I190 VanDerWaalsContact O-CG1 3.28Å; A186-I190 WeakPolarHBondContact O-CG1 3.38Å; A186-I190 PolarHBondContact O-N 3.01Å |
| 187 | F | 95.6 | Very high | 94 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 176.9 | -74.5 | 5.4 | 0 | 0 | 0 | 112.5 | F9 C12 V13 I183 A184 Y189 I190 S191 | F9-F187 HydrophobicContact CB-CD1 4.13Å; F9-F187 HydrophobicContact CB-CE1 3.65Å; F9-F187 HydrophobicContact CB-CE2 4.34Å; F9-F187 HydrophobicContact CB-CZ 3.77Å; F9-F187 HydrophobicContact CD1-CB 4.18Å; F9-F187 AromaticContact CD1-CD1 3.6Å; F9-F187 HydrophobicContact CD1-CD1 3.6Å; F9-F187 HydrophobicContact CD1-CD2 4.43Å; F9-F187 HydrophobicContact CD1-CE1 4.04Å; F9-F187 AromaticContact CD1-CG 3.83Å; F9-F187 HydrophobicContact CD1-CG 3.83Å; F9-F187 HydrophobicContact CE1-CB 4.04Å; F9-F187 HydrophobicContact CE1-CD1 4.33Å; F9-F187 HydrophobicContact CE1-CG 4.18Å; F9-F187 HydrophobicContact CG-CD1 4.08Å; F9-F187 HydrophobicContact CG-CD2 4.46Å; F9-F187 HydrophobicContact CG-CE1 4.09Å; F9-F187 HydrophobicContact CG-CE2 4.48Å; F9-F187 HydrophobicContact CG-CG 4.27Å; F9-F187 HydrophobicContact CG-CZ 4.29Å; F9-F187 WeakPolarHBondContact O-CE1 3.47Å; C12-F187 HydrophobicContact CB-CE1 4.5Å; V13-F187 HydrophobicContact CG2-CE1 3.62Å; V13-F187 HydrophobicContact CG2-CZ 3.62Å; I183-F187 HydrophobicContact CG2-CD1 4.13Å; I183-F187 HydrophobicContact CG2-CD2 4.13Å; I183-F187 HydrophobicContact CG2-CE1 3.79Å; I183-F187 HydrophobicContact CG2-CE2 3.79Å; I183-F187 HydrophobicContact CG2-CG 4.3Å; I183-F187 HydrophobicContact CG2-CZ 3.61Å; I183-F187 WeakPolarHBondContact O-CB 3.24Å; I183-F187 WeakPolarHBondContact O-CD1 3.39Å; I183-F187 WeakPolarHBondContact O-CG 3.46Å; I183-F187 PolarHBondContact O-N 3.06Å; A184-F187 PolarHBondContact O-N 3.37Å; F187-Y189 VanDerWaalsContact C-N 3.3Å; F187-Y189 PolarHBondContact O-N 3.47Å; F187-I190 PolarHBondContact O-N 2.84Å; F187-S191 VanDerWaalsContact O-CB 3.25Å; F187-S191 WeakPolarHBondContact O-CB 3.45Å; F187-S191 PolarHBondContact O-N 2.6Å |
| 188 | E | 93.9 | Very high | 93.9 | Very high | 93 Ų | 93 | 47.4 Ų | 47.4 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.6 | -47.8 | 173 | -176.5 | -169.2 | 154.4 | 0 | 0 | 110.8 | A184 K185 A186 S191 N192 | A184-E188 PolarHBondContact O-N 3.02Å; K185-E188 WeakPolarHBondContact CE-OE2 3.39Å; K185-E188 VanDerWaalsContact NZ-CD 3.26Å; K185-E188 IonicContact NZ-OE1 3.08Å; K185-E188 PolarHBondContact NZ-OE1 2.85Å; K185-E188 IonicContact NZ-OE2 3.37Å; K185-E188 PolarHBondContact NZ-OE2 3.42Å; A186-E188 PolarHBondContact O-N 2.99Å; E188-S191 PolarHBondContact O-N 2.81Å; E188-N192 PolarHBondContact O-N 2.8Å; E188-N192 PolarHBondContact O-ND2 3.05Å; E188-N192 PolarHBondContact O-OD1 3.32Å |
| 189 | Y | 94.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64 | -47.3 | -179.6 | -172.4 | -118.8 | 0 | 0 | 0 | 112.6 | L23 E27 T140 V142 F145 K185 A186 F187 S191 N192 I193 | L23-Y189 HydrophobicContact CD1-CE1 4.02Å; L23-Y189 HydrophobicContact CD2-CE1 4.37Å; E27-Y189 PolarHBondContact OE1-OH 3.35Å; T140-Y189 PolarHBondContact O-OH 3.32Å; V142-Y189 VanDerWaalsContact CG2-OH 3.24Å; V142-Y189 WeakPolarHBondContact CG2-OH 3.11Å; F145-Y189 HydrophobicContact CB-CD1 3.85Å; F145-Y189 HydrophobicContact CB-CD2 4.2Å; F145-Y189 HydrophobicContact CB-CE1 4.32Å; F145-Y189 HydrophobicContact CB-CG 3.78Å; F145-Y189 AromaticContact CD1-CD1 3.39Å; F145-Y189 HydrophobicContact CD1-CD1 3.39Å; F145-Y189 AromaticContact CD1-CE1 3.64Å; F145-Y189 HydrophobicContact CD1-CE1 3.64Å; F145-Y189 HydrophobicContact CD1-CG 4.2Å; F145-Y189 HydrophobicContact CD2-CD1 4.34Å; F145-Y189 AromaticContact CE1-CD1 3.99Å; F145-Y189 HydrophobicContact CE1-CD1 3.99Å; F145-Y189 HydrophobicContact CE1-CE1 4.3Å; F145-Y189 AromaticContact CG-CD1 3.58Å; F145-Y189 HydrophobicContact CG-CD1 3.58Å; F145-Y189 HydrophobicContact CG-CE1 4.19Å; F145-Y189 AromaticContact CG-CG 3.93Å; F145-Y189 HydrophobicContact CG-CG 3.93Å; K185-Y189 WeakPolarHBondContact O-CB 3.44Å; K185-Y189 PolarHBondContact O-N 3.13Å; K185-Y189 VanDerWaalsContact O-N 3.07Å; A186-Y189 PolarHBondContact O-N 3.23Å; F187-Y189 VanDerWaalsContact C-N 3.3Å; F187-Y189 PolarHBondContact O-N 3.47Å; Y189-S191 VanDerWaalsContact C-N 3.34Å; Y189-S191 PolarHBondContact O-N 2.74Å; Y189-N192 PolarHBondContact O-N 3.48Å; Y189-I193 HydrophobicContact CD1-CG1 4.46Å; Y189-I193 HydrophobicContact CE1-CD1 4.44Å; Y189-I193 HydrophobicContact CE1-CG1 4.13Å; Y189-I193 HydrophobicContact CE2-CD1 4.29Å; Y189-I193 HydrophobicContact CE2-CG1 4.28Å; Y189-I193 WeakPolarHBondContact O-CG1 3.41Å; Y189-I193 PolarHBondContact O-N 3.02Å |
| 190 | I | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 178.6 | -65.7 | -53.3 | 0 | 0 | 0 | 111.7 | L7 F9 C12 F19 L23 A186 F187 I193 N194 | L7-I190 HydrophobicContact CB-CD1 4.43Å; L7-I190 HydrophobicContact CB-CG2 3.62Å; L7-I190 HydrophobicContact CD1-CD1 3.86Å; F9-I190 HydrophobicContact CD1-CB 4.43Å; F9-I190 HydrophobicContact CD1-CG2 4.15Å; F9-I190 HydrophobicContact CE1-CB 4.23Å; F9-I190 HydrophobicContact CE1-CG2 4.06Å; C12-I190 HydrophobicContact CB-CG1 4.26Å; F19-I190 HydrophobicContact CE2-CD1 3.92Å; F19-I190 HydrophobicContact CE2-CG1 4.39Å; F19-I190 HydrophobicContact CZ-CD1 3.73Å; F19-I190 HydrophobicContact CZ-CG1 4.18Å; L23-I190 HydrophobicContact CD1-CD1 3.78Å; L23-I190 HydrophobicContact CD2-CD1 4.45Å; A186-I190 WeakPolarHBondContact O-CB 3.33Å; A186-I190 VanDerWaalsContact O-CG1 3.28Å; A186-I190 WeakPolarHBondContact O-CG1 3.38Å; A186-I190 PolarHBondContact O-N 3.01Å; F187-I190 PolarHBondContact O-N 2.84Å; I190-I193 PolarHBondContact O-N 2.87Å; I190-N194 PolarHBondContact O-N 3.07Å |
| 191 | S | 94.2 | Very high | 93.2 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.8 | -48.5 | 173.5 | -170.8 | 0 | 0 | 0 | 0 | 111 | F187 E188 Y189 I193 N194 E195 | F187-S191 VanDerWaalsContact O-CB 3.25Å; F187-S191 WeakPolarHBondContact O-CB 3.45Å; F187-S191 PolarHBondContact O-N 2.6Å; E188-S191 PolarHBondContact O-N 2.81Å; Y189-S191 VanDerWaalsContact C-N 3.34Å; Y189-S191 PolarHBondContact O-N 2.74Å; S191-I193 VanDerWaalsContact C-N 3.31Å; S191-I193 PolarHBondContact O-N 3.34Å; S191-N194 PolarHBondContact O-N 2.89Å; S191-E195 WeakPolarHBondContact O-CB 3.43Å; S191-E195 PolarHBondContact O-N 3.04Å |
| 192 | N | 95.2 | Very high | 93.1 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 15% | 0.15 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -35.4 | 179.2 | -67.2 | -12.5 | 0 | 0 | 0 | 112.7 | N139 E188 Y189 A196 | N139-N192 HydrophobicContact CB-CB 4.35Å; N139-N192 WeakPolarHBondContact O-CB 3.35Å; N139-N192 PolarHBondContact O-ND2 3.39Å; E188-N192 PolarHBondContact O-N 2.8Å; E188-N192 PolarHBondContact O-ND2 3.05Å; E188-N192 PolarHBondContact O-OD1 3.32Å; Y189-N192 PolarHBondContact O-N 3.48Å; N192-A196 VanDerWaalsContact O-CB 3.26Å; N192-A196 WeakPolarHBondContact O-CB 3.1Å; N192-A196 PolarHBondContact O-N 2.89Å |
| 193 | I | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -52 | 174.6 | -68.9 | -71.2 | 0 | 0 | 0 | 110.1 | L7 L23 H26 L30 T140 Y189 I190 S191 E195 A196 H197 | L7-I193 HydrophobicContact CD1-CG2 3.81Å; L23-I193 HydrophobicContact CD1-CG1 4.49Å; H26-I193 HydrophobicContact CB-CG2 3.93Å; L30-I193 HydrophobicContact CD1-CD1 3.59Å; L30-I193 HydrophobicContact CD1-CG2 4.26Å; T140-I193 HydrophobicContact CG2-CD1 3.92Å; Y189-I193 HydrophobicContact CD1-CG1 4.46Å; Y189-I193 HydrophobicContact CE1-CD1 4.44Å; Y189-I193 HydrophobicContact CE1-CG1 4.13Å; Y189-I193 HydrophobicContact CE2-CD1 4.29Å; Y189-I193 HydrophobicContact CE2-CG1 4.28Å; Y189-I193 WeakPolarHBondContact O-CG1 3.41Å; Y189-I193 PolarHBondContact O-N 3.02Å; I190-I193 PolarHBondContact O-N 2.87Å; S191-I193 VanDerWaalsContact C-N 3.31Å; S191-I193 PolarHBondContact O-N 3.34Å; I193-E195 VanDerWaalsContact C-N 3.31Å; I193-E195 PolarHBondContact O-N 2.88Å; I193-A196 WeakPolarHBondContact O-CB 3.48Å; I193-A196 PolarHBondContact O-N 3.48Å; I193-H197 PolarHBondContact O-CD2 2.98Å; I193-H197 PolarHBondContact O-N 3.06Å |
| 194 | N | 93.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 20% | 0.203 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 178 | -74.7 | -25.7 | 0 | 0 | 0 | 111.3 | L7 I190 S191 A196 H197 E198 | L7-N194 PolarHBondContact N-OD1 3.38Å; L7-N194 VanDerWaalsContact N-OD1 3.15Å; L7-N194 PolarHBondContact O-ND2 3.41Å; I190-N194 PolarHBondContact O-N 3.07Å; S191-N194 PolarHBondContact O-N 2.89Å; N194-A196 PolarHBondContact O-N 3.47Å; N194-H197 WeakPolarHBondContact O-CB 3.5Å; N194-H197 PolarHBondContact O-N 3.29Å; N194-H197 VanDerWaalsContact O-N 3.17Å; N194-E198 PolarHBondContact O-N 2.89Å |
| 195 | E | 94 | Very high | 92.8 | Very high | 82 Ų | 82 | 44 Ų | 44 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.7 | -174.8 | 172.7 | -171.7 | 0 | 0 | 112.3 | W134 S191 I193 H197 E198 L199 | W134-E195 HydrophobicContact CE3-CG 4.35Å; W134-E195 HydrophobicContact CH2-CG 3.86Å; W134-E195 VanDerWaalsContact CH2-OE1 3.27Å; W134-E195 WeakPolarHBondContact CH2-OE1 3.37Å; W134-E195 WeakPolarHBondContact CH2-OE2 3.37Å; W134-E195 HydrophobicContact CZ3-CB 4Å; W134-E195 VanDerWaalsContact CZ3-CD 3.43Å; W134-E195 HydrophobicContact CZ3-CG 3.66Å; W134-E195 WeakPolarHBondContact CZ3-OE2 3.44Å; S191-E195 WeakPolarHBondContact O-CB 3.43Å; S191-E195 PolarHBondContact O-N 3.04Å; I193-E195 VanDerWaalsContact C-N 3.31Å; I193-E195 PolarHBondContact O-N 2.88Å; E195-H197 VanDerWaalsContact C-N 3.26Å; E195-H197 PolarHBondContact O-N 2.88Å; E195-E198 PolarHBondContact O-N 3.35Å; E195-E198 VanDerWaalsContact O-N 3.08Å; E195-L199 HydrophobicContact CG-CD1 4.01Å; E195-L199 HydrophobicContact CG-CG 4.28Å; E195-L199 WeakPolarHBondContact O-CB 3.48Å; E195-L199 WeakPolarHBondContact O-CG 3.3Å; E195-L199 PolarHBondContact O-N 3.25Å |
| 196 | A | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -37 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L30 W134 T140 N192 I193 N194 K200 | L30-A196 HydrophobicContact CD1-CB 4.02Å; L30-A196 HydrophobicContact CD2-CB 4.04Å; W134-A196 HydrophobicContact CB-CB 4.28Å; W134-A196 HydrophobicContact CE3-CB 4.32Å; T140-A196 HydrophobicContact CG2-CB 3.77Å; N192-A196 VanDerWaalsContact O-CB 3.26Å; N192-A196 WeakPolarHBondContact O-CB 3.1Å; N192-A196 PolarHBondContact O-N 2.89Å; I193-A196 WeakPolarHBondContact O-CB 3.48Å; I193-A196 PolarHBondContact O-N 3.48Å; N194-A196 PolarHBondContact O-N 3.47Å; A196-K200 WeakPolarHBondContact O-CB 3.49Å; A196-K200 PolarHBondContact O-N 3.42Å |
| 197 | H | 91.8 | Very high | 93 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 172.9 | -79.9 | -79.6 | 0 | 0 | 0 | 112.4 | H26 D29 I193 N194 E195 K200 K201 | H26-H197 AromaticContact CE1-NE2 3.96Å; H26-H197 AromaticContact CG-NE2 3.6Å; H26-H197 AromaticContact ND1-CD2 3.27Å; H26-H197 PolarHBondContact ND1-CD2 3.5Å; H26-H197 VanDerWaalsContact ND1-CD2 3.27Å; H26-H197 AromaticContact ND1-CE1 3.5Å; H26-H197 PolarHBondContact ND1-CE1 3.03Å; H26-H197 AromaticContact ND1-NE2 2.85Å; H26-H197 PolarHBondContact ND1-NE2 3.04Å; D29-H197 IonicContact OD2-CE1 2.8Å; D29-H197 PolarHBondContact OD2-CE1 3.28Å; D29-H197 IonicContact OD2-ND1 3.79Å; I193-H197 PolarHBondContact O-CD2 2.98Å; I193-H197 PolarHBondContact O-N 3.06Å; N194-H197 WeakPolarHBondContact O-CB 3.5Å; N194-H197 PolarHBondContact O-N 3.29Å; N194-H197 VanDerWaalsContact O-N 3.17Å; E195-H197 VanDerWaalsContact C-N 3.26Å; E195-H197 PolarHBondContact O-N 2.88Å; H197-K200 WeakPolarHBondContact O-CB 3.44Å; H197-K200 PolarHBondContact O-N 3.14Å; H197-K201 WeakPolarHBondContact O-CG 3.43Å; H197-K201 PolarHBondContact O-N 3.24Å; H197-K201 VanDerWaalsContact O-N 3.16Å |
| 198 | E | 91.1 | Very high | 93 | Very high | 101 Ų | 101 | 45.4 Ų | 45.4 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -71.2 | -41 | 178.2 | -69.5 | -50.1 | 123.9 | 0 | 0 | 112.6 | N194 E195 K200 K201 S202 | N194-E198 PolarHBondContact O-N 2.89Å; E195-E198 PolarHBondContact O-N 3.35Å; E195-E198 VanDerWaalsContact O-N 3.08Å; E198-K200 VanDerWaalsContact C-N 3.34Å; E198-K200 PolarHBondContact O-N 3.22Å; E198-K201 PolarHBondContact O-N 3.13Å; E198-K201 IonicContact OE1-NZ 3.56Å; E198-K201 PolarHBondContact OE1-NZ 2.86Å; E198-S202 WeakPolarHBondContact O-CB 3.16Å; E198-S202 PolarHBondContact O-N 3.5Å; E198-S202 PolarHBondContact O-OG 3.23Å |
| 199 | L | 91.4 | Very high | 93 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 20% | 0.199 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 173 | -70.2 | 173.1 | 0 | 0 | 0 | 112 | L130 W134 E195 K201 S202 K203 F204 | L130-L199 HydrophobicContact CD1-CB 3.91Å; W134-L199 HydrophobicContact CD2-CD1 3.36Å; W134-L199 HydrophobicContact CE3-CD1 3.84Å; W134-L199 HydrophobicContact CG-CD1 3.66Å; W134-L199 HydrophobicContact CH2-CD1 4.23Å; W134-L199 HydrophobicContact CZ2-CD1 3.8Å; W134-L199 HydrophobicContact CZ3-CD1 4.24Å; E195-L199 HydrophobicContact CG-CD1 4.01Å; E195-L199 HydrophobicContact CG-CG 4.28Å; E195-L199 WeakPolarHBondContact O-CB 3.48Å; E195-L199 WeakPolarHBondContact O-CG 3.3Å; E195-L199 PolarHBondContact O-N 3.25Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.39Å; L199-S202 PolarHBondContact O-N 2.94Å; L199-K203 HydrophobicContact CB-CB 4.5Å; L199-K203 HydrophobicContact CD2-CB 4.23Å; L199-K203 WeakPolarHBondContact O-CA 3.33Å; L199-K203 VanDerWaalsContact O-CB 3.3Å; L199-K203 WeakPolarHBondContact O-CB 3.43Å; L199-K203 PolarHBondContact O-N 3.15Å; L199-F204 PolarHBondContact O-N 3.21Å |
| 200 | K | 88.7 | Confident | 93.1 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -38.2 | 173.4 | -174.9 | -171.5 | 62 | 161.9 | 0 | 112 | M1 D29 A33 L135 A196 H197 E198 F204 | M1-K200 HydrophobicContact CE-CD 4.42Å; M1-K200 HydrophobicContact CE-CG 4.01Å; M1-K200 HydrophobicContact SD-CD 4.01Å; M1-K200 VanDerWaalsContact SD-CE 3.52Å; M1-K200 HydrophobicContact SD-CG 4.08Å; D29-K200 IonicContact OD1-NZ 2.63Å; D29-K200 IonicContact OD2-NZ 3.52Å; D29-K200 PolarHBondContact OD2-NZ 3.36Å; A33-K200 HydrophobicContact CB-CD 3.56Å; A33-K200 HydrophobicContact CB-CG 4.37Å; L135-K200 HydrophobicContact CD2-CB 4Å; L135-K200 HydrophobicContact CD2-CD 4.28Å; L135-K200 HydrophobicContact CD2-CG 4.15Å; A196-K200 WeakPolarHBondContact O-CB 3.49Å; A196-K200 PolarHBondContact O-N 3.42Å; H197-K200 WeakPolarHBondContact O-CB 3.44Å; H197-K200 PolarHBondContact O-N 3.14Å; E198-K200 VanDerWaalsContact C-N 3.34Å; E198-K200 PolarHBondContact O-N 3.22Å; K200-F204 WeakPolarHBondContact O-CB 3.3Å |
| 201 | K | 86.6 | Confident | 93.2 | Very high | 104 Ų | 104 | 47.5 Ų | 47.5 | 45% | 0.452 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -78.4 | -43.2 | 178.6 | -68.7 | 171.5 | -167.1 | 163.7 | 0 | 111.9 | M1 H197 E198 L199 V205 | M1-K201 HydrophobicContact SD-CG 4.38Å; H197-K201 WeakPolarHBondContact O-CG 3.43Å; H197-K201 PolarHBondContact O-N 3.24Å; H197-K201 VanDerWaalsContact O-N 3.16Å; E198-K201 PolarHBondContact O-N 3.13Å; E198-K201 IonicContact OE1-NZ 3.56Å; E198-K201 PolarHBondContact OE1-NZ 2.86Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.39Å; K201-V205 WeakPolarHBondContact O-CB 3.39Å; K201-V205 WeakPolarHBondContact O-CG2 3.45Å |
| 202 | S | 91.1 | Very high | 93.3 | Very high | 48 Ų | 48 | 50.7 Ų | 50.7 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -71.3 | -173.6 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | E198 L199 F204 V205 Q206 | E198-S202 WeakPolarHBondContact O-CB 3.16Å; E198-S202 PolarHBondContact O-N 3.5Å; E198-S202 PolarHBondContact O-OG 3.23Å; L199-S202 PolarHBondContact O-N 2.94Å; S202-F204 PolarHBondContact O-N 3.48Å; S202-V205 PolarHBondContact O-N 2.81Å; S202-V205 VanDerWaalsContact O-N 3.14Å; S202-Q206 WeakPolarHBondContact O-CG 3.26Å; S202-Q206 PolarHBondContact O-N 3.22Å |
| 203 | K | 91.8 | Very high | 93.3 | Very high | 62 Ų | 62 | 57 Ų | 57 | 27% | 0.27 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57 | -45.9 | -173 | -171.6 | 60 | 166.2 | 177.6 | 0 | 112.5 | E126 L199 V205 Q206 T207 | E126-K203 IonicContact OE1-NZ 3.01Å; E126-K203 PolarHBondContact OE1-NZ 3.33Å; E126-K203 IonicContact OE2-NZ 2.73Å; L199-K203 HydrophobicContact CB-CB 4.5Å; L199-K203 HydrophobicContact CD2-CB 4.23Å; L199-K203 WeakPolarHBondContact O-CA 3.33Å; L199-K203 VanDerWaalsContact O-CB 3.3Å; L199-K203 WeakPolarHBondContact O-CB 3.43Å; L199-K203 PolarHBondContact O-N 3.15Å; K203-V205 PolarHBondContact O-N 3.05Å; K203-Q206 PolarHBondContact O-N 2.97Å; K203-T207 PolarHBondContact O-N 2.89Å; K203-T207 PolarHBondContact O-OG1 3.43Å |
| 204 | F | 93.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 177.6 | -177.8 | -113 | 0 | 0 | 0 | 112.4 | M1 V37 V40 L127 L130 L199 K200 S202 T207 V208 | M1-F204 HydrophobicContact CE-CD1 4.46Å; V37-F204 HydrophobicContact CG1-CD2 4.45Å; V37-F204 HydrophobicContact CG1-CE2 4.41Å; V37-F204 HydrophobicContact CG2-CD2 3.9Å; V37-F204 HydrophobicContact CG2-CE2 3.85Å; V37-F204 HydrophobicContact CG2-CZ 4.46Å; V40-F204 HydrophobicContact CB-CE2 4.43Å; V40-F204 HydrophobicContact CG1-CE2 4.16Å; V40-F204 HydrophobicContact CG1-CZ 4.34Å; V40-F204 HydrophobicContact CG2-CZ 4.15Å; L127-F204 HydrophobicContact CD2-CD2 3.93Å; L127-F204 HydrophobicContact CD2-CE2 3.99Å; L130-F204 HydrophobicContact CD2-CB 3.59Å; L130-F204 HydrophobicContact CD2-CD2 3.98Å; L130-F204 HydrophobicContact CD2-CG 4.21Å; L199-F204 PolarHBondContact O-N 3.21Å; K200-F204 WeakPolarHBondContact O-CB 3.3Å; S202-F204 PolarHBondContact O-N 3.48Å; F204-T207 PolarHBondContact O-N 3.26Å; F204-V208 HydrophobicContact CE1-CG2 4.2Å; F204-V208 HydrophobicContact CE2-CG2 4.1Å; F204-V208 HydrophobicContact CZ-CG2 3.92Å; F204-V208 WeakPolarHBondContact O-CG2 3.36Å; F204-V208 PolarHBondContact O-N 3.03Å |
| 205 | V | 92 | Very high | 93.4 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | -178.4 | 175 | 0 | 0 | 0 | 0 | 109.9 | K201 S202 K203 T207 V208 S209 | K201-V205 WeakPolarHBondContact O-CB 3.39Å; K201-V205 WeakPolarHBondContact O-CG2 3.45Å; S202-V205 PolarHBondContact O-N 2.81Å; S202-V205 VanDerWaalsContact O-N 3.14Å; K203-V205 PolarHBondContact O-N 3.05Å; V205-T207 PolarHBondContact O-N 3.13Å; V205-V208 PolarHBondContact O-N 3.24Å; V205-S209 WeakPolarHBondContact O-CB 3.38Å; V205-S209 PolarHBondContact O-N 3.04Å; V205-S209 PolarHBondContact O-OG 3.03Å; V205-S209 VanDerWaalsContact O-OG 3.06Å |
| 206 | Q | 95.2 | Very high | 93.5 | Very high | 119 Ų | 119 | 56.7 Ų | 56.7 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -57.8 | -46.7 | 174.8 | -72.2 | 173.1 | -1.1 | 0 | 0 | 112.3 | S202 K203 V208 S209 L210 | S202-Q206 WeakPolarHBondContact O-CG 3.26Å; S202-Q206 PolarHBondContact O-N 3.22Å; K203-Q206 PolarHBondContact O-N 2.97Å; Q206-V208 VanDerWaalsContact C-N 3.33Å; Q206-V208 PolarHBondContact O-N 3.44Å; Q206-S209 WeakPolarHBondContact O-CB 3.41Å; Q206-S209 PolarHBondContact O-N 3.44Å; Q206-L210 PolarHBondContact O-N 3.48Å |
| 207 | T | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | I123 E126 L127 K203 F204 V205 L210 I211 | I123-T207 HydrophobicContact CB-CG2 4.47Å; I123-T207 HydrophobicContact CG2-CG2 3.98Å; E126-T207 HydrophobicContact CB-CG2 4.11Å; E126-T207 WeakPolarHBondContact OE2-CB 3.39Å; E126-T207 WeakPolarHBondContact OE2-CG2 3.5Å; E126-T207 PolarHBondContact OE2-OG1 3.26Å; L127-T207 HydrophobicContact CD2-CG2 3.99Å; L127-T207 HydrophobicContact CG-CG2 3.86Å; K203-T207 PolarHBondContact O-N 2.89Å; K203-T207 PolarHBondContact O-OG1 3.43Å; F204-T207 PolarHBondContact O-N 3.26Å; V205-T207 PolarHBondContact O-N 3.13Å; T207-L210 WeakPolarHBondContact O-CB 3.35Å; T207-L210 PolarHBondContact O-N 3.17Å; T207-I211 PolarHBondContact O-N 3.4Å |
| 208 | V | 94.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | F204 V205 Q206 L210 I211 M212 | F204-V208 HydrophobicContact CE1-CG2 4.2Å; F204-V208 HydrophobicContact CE2-CG2 4.1Å; F204-V208 HydrophobicContact CZ-CG2 3.92Å; F204-V208 WeakPolarHBondContact O-CG2 3.36Å; F204-V208 PolarHBondContact O-N 3.03Å; V205-V208 PolarHBondContact O-N 3.24Å; Q206-V208 VanDerWaalsContact C-N 3.33Å; Q206-V208 PolarHBondContact O-N 3.44Å; V208-L210 VanDerWaalsContact C-N 3.26Å; V208-L210 PolarHBondContact O-N 3.39Å; V208-I211 WeakPolarHBondContact O-CB 3.44Å; V208-I211 PolarHBondContact O-N 3.15Å; V208-I211 VanDerWaalsContact O-N 3.14Å; V208-M212 WeakPolarHBondContact O-CG 3.46Å; V208-M212 PolarHBondContact O-N 3.27Å |
| 209 | S | 95.5 | Very high | 94.1 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 47% | 0.469 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.2 | -35.1 | 174.9 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | V205 Q206 M212 R213 | V205-S209 WeakPolarHBondContact O-CB 3.38Å; V205-S209 PolarHBondContact O-N 3.04Å; V205-S209 PolarHBondContact O-OG 3.03Å; V205-S209 VanDerWaalsContact O-OG 3.06Å; Q206-S209 WeakPolarHBondContact O-CB 3.41Å; Q206-S209 PolarHBondContact O-N 3.44Å; S209-M212 PolarHBondContact O-N 3.11Å; S209-R213 WeakPolarHBondContact O-CB 3.4Å; S209-R213 PolarHBondContact O-N 3.26Å |
| 210 | L | 96 | Very high | 94.3 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 29% | 0.293 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 173.2 | -179.6 | 61.4 | 0 | 0 | 0 | 111.5 | L122 I123 Q206 T207 V208 M212 R213 M214 | L122-L210 HydrophobicContact CD2-CD2 3.96Å; I123-L210 HydrophobicContact CD1-CD2 4.23Å; I123-L210 HydrophobicContact CD1-CG 4.27Å; I123-L210 HydrophobicContact CG1-CD2 3.85Å; I123-L210 HydrophobicContact CG1-CG 4.36Å; Q206-L210 PolarHBondContact O-N 3.48Å; T207-L210 WeakPolarHBondContact O-CB 3.35Å; T207-L210 PolarHBondContact O-N 3.17Å; V208-L210 VanDerWaalsContact C-N 3.26Å; V208-L210 PolarHBondContact O-N 3.39Å; L210-M212 VanDerWaalsContact C-N 3.33Å; L210-M212 PolarHBondContact O-N 2.85Å; L210-R213 PolarHBondContact O-N 3.09Å; L210-M214 VanDerWaalsContact O-CB 3.25Å; L210-M214 WeakPolarHBondContact O-CB 3.32Å; L210-M214 PolarHBondContact O-N 3.33Å |
| 211 | I | 96.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 72.8 Ų | 72.8 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 174 | -62.5 | 165.1 | 0 | 0 | 0 | 110.5 | T44 I123 T207 V208 R213 M214 L215 | T44-I211 HydrophobicContact CG2-CD1 4.05Å; I123-I211 HydrophobicContact CD1-CG1 3.8Å; I123-I211 HydrophobicContact CG1-CG1 4.39Å; I123-I211 HydrophobicContact CG2-CD1 3.81Å; I123-I211 HydrophobicContact CG2-CG1 3.87Å; T207-I211 PolarHBondContact O-N 3.4Å; V208-I211 WeakPolarHBondContact O-CB 3.44Å; V208-I211 PolarHBondContact O-N 3.15Å; V208-I211 VanDerWaalsContact O-N 3.14Å; I211-R213 PolarHBondContact O-N 3.09Å; I211-M214 HydrophobicContact CG2-CE 4.45Å; I211-M214 WeakPolarHBondContact O-CB 3.23Å; I211-M214 PolarHBondContact O-N 3.01Å; I211-L215 HydrophobicContact CG2-CD1 4.08Å; I211-L215 HydrophobicContact CG2-CG 4.49Å; I211-L215 WeakPolarHBondContact O-CG 3.49Å; I211-L215 PolarHBondContact O-N 3.26Å |
| 212 | M | 96.4 | Very high | 95 | Very high | 119 Ų | 119 | 68.4 Ų | 68.4 | 59% | 0.586 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | -179.3 | -66 | -53.2 | -60.4 | 0 | 0 | 112.2 | V208 S209 L210 L215 S216 | V208-M212 WeakPolarHBondContact O-CG 3.46Å; V208-M212 PolarHBondContact O-N 3.27Å; S209-M212 PolarHBondContact O-N 3.11Å; L210-M212 VanDerWaalsContact C-N 3.33Å; L210-M212 PolarHBondContact O-N 2.85Å; M212-L215 PolarHBondContact O-N 3.24Å; M212-S216 VanDerWaalsContact O-CB 3.32Å; M212-S216 WeakPolarHBondContact O-CB 3.43Å; M212-S216 PolarHBondContact O-N 2.89Å |
| 213 | R | 95.6 | Very high | 95.3 | Very high | 162 Ų | 162 | 70.3 Ų | 70.3 | 61% | 0.611 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 176.9 | -176.8 | 62.2 | 64.8 | -174.4 | 3.4 | 111.4 | S209 L210 I211 S216 N217 | S209-R213 WeakPolarHBondContact O-CB 3.4Å; S209-R213 PolarHBondContact O-N 3.26Å; L210-R213 PolarHBondContact O-N 3.09Å; I211-R213 PolarHBondContact O-N 3.09Å; R213-S216 PolarHBondContact O-N 3.03Å; R213-N217 WeakPolarHBondContact O-CB 3.49Å; R213-N217 PolarHBondContact O-N 2.96Å; R213-N217 PolarHBondContact O-OD1 3.48Å |
| 214 | M | 95.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 5% | 0.054 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.4 | -52.4 | 177 | 178.5 | -162.9 | 73.4 | 0 | 0 | 111 | F48 M51 M115 N119 I123 L210 I211 N217 F218 | F48-M214 HydrophobicContact CE1-CE 4.06Å; F48-M214 HydrophobicContact CE1-SD 4.03Å; F48-M214 HydrophobicContact CZ-CE 4.02Å; F48-M214 HydrophobicContact CZ-SD 4.03Å; M51-M214 HydrophobicContact CE-CE 4.28Å; M115-M214 HydrophobicContact CE-CE 4.11Å; M115-M214 HydrophobicContact CE-CG 4.36Å; M115-M214 HydrophobicContact CE-SD 4.29Å; M115-M214 HydrophobicContact CG-CB 4.48Å; M115-M214 HydrophobicContact CG-CG 3.17Å; M115-M214 HydrophobicContact CG-SD 3.94Å; M115-M214 HydrophobicContact SD-CE 4.23Å; M115-M214 HydrophobicContact SD-CG 3.49Å; M115-M214 WeakPolarHBondContact SD-CG 3.35Å; M115-M214 VanDerWaalsContact SD-O 3.41Å; M115-M214 HydrophobicContact SD-SD 4.18Å; N119-M214 HydrophobicContact CB-CG 4.5Å; N119-M214 HydrophobicContact CB-SD 3.59Å; N119-M214 VanDerWaalsContact CB-SD 3.59Å; I123-M214 HydrophobicContact CD1-SD 4.42Å; L210-M214 VanDerWaalsContact O-CB 3.25Å; L210-M214 WeakPolarHBondContact O-CB 3.32Å; L210-M214 PolarHBondContact O-N 3.33Å; I211-M214 HydrophobicContact CG2-CE 4.45Å; I211-M214 WeakPolarHBondContact O-CB 3.23Å; I211-M214 PolarHBondContact O-N 3.01Å; M214-N217 PolarHBondContact O-N 3.04Å; M214-F218 PolarHBondContact O-N 3.36Å; M214-F218 VanDerWaalsContact O-N 3.14Å |
| 215 | L | 96.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 70 Ų | 70 | 20% | 0.204 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 178 | -69.3 | 173.4 | 0 | 0 | 0 | 112 | M51 I211 M212 N217 F218 Y219 | M51-L215 HydrophobicContact SD-CD2 4.09Å; I211-L215 HydrophobicContact CG2-CD1 4.08Å; I211-L215 HydrophobicContact CG2-CG 4.49Å; I211-L215 WeakPolarHBondContact O-CG 3.49Å; I211-L215 PolarHBondContact O-N 3.26Å; M212-L215 PolarHBondContact O-N 3.24Å; L215-N217 VanDerWaalsContact C-N 3.31Å; L215-N217 PolarHBondContact O-N 3.11Å; L215-F218 PolarHBondContact O-N 2.68Å; L215-Y219 HydrophobicContact CB-CD2 4.44Å; L215-Y219 HydrophobicContact CB-CE2 4.32Å; L215-Y219 WeakPolarHBondContact O-CD2 3.47Å; L215-Y219 PolarHBondContact O-N 3.14Å |
| 216 | S | 96.1 | Very high | 95.6 | Very high | 64 Ų | 64 | 69.8 Ų | 69.8 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 178.3 | -176 | 0 | 0 | 0 | 0 | 112 | M212 R213 Y220 | M212-S216 VanDerWaalsContact O-CB 3.32Å; M212-S216 WeakPolarHBondContact O-CB 3.43Å; M212-S216 PolarHBondContact O-N 2.89Å; R213-S216 PolarHBondContact O-N 3.03Å; S216-Y220 WeakPolarHBondContact O-CB 3.28Å; S216-Y220 PolarHBondContact O-N 3.08Å |
| 217 | N | 94.5 | Very high | 95.6 | Very high | 89 Ų | 89 | 69.3 Ų | 69.3 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | -179.9 | -71.3 | -3.4 | 0 | 0 | 0 | 111.4 | R213 M214 L215 Y220 Q221 | R213-N217 WeakPolarHBondContact O-CB 3.49Å; R213-N217 PolarHBondContact O-N 2.96Å; R213-N217 PolarHBondContact O-OD1 3.48Å; M214-N217 PolarHBondContact O-N 3.04Å; L215-N217 VanDerWaalsContact C-N 3.31Å; L215-N217 PolarHBondContact O-N 3.11Å; N217-Y220 PolarHBondContact O-N 3.36Å; N217-Q221 WeakPolarHBondContact O-CB 3.4Å; N217-Q221 PolarHBondContact O-N 2.94Å |
| 218 | F | 96.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 74.8 Ų | 74.8 | 5% | 0.048 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 177.4 | 167.8 | -102.8 | 0 | 0 | 0 | 112.5 | V108 A111 R112 M115 M214 L215 Y220 Q221 A222 | V108-F218 HydrophobicContact CG1-CE2 4.38Å; V108-F218 HydrophobicContact CG1-CZ 4.25Å; A111-F218 HydrophobicContact CB-CD2 4.49Å; R112-F218 HydrophobicContact CB-CD2 4Å; R112-F218 HydrophobicContact CB-CE2 3.5Å; R112-F218 VanDerWaalsContact CB-CE2 3.5Å; R112-F218 HydrophobicContact CB-CZ 3.99Å; R112-F218 HydrophobicContact CG-CD2 4.47Å; R112-F218 HydrophobicContact CG-CE2 4.15Å; R112-F218 HydrophobicContact CG-CZ 4.3Å; R112-F218 VanDerWaalsContact NE-CZ 3.32Å; R112-F218 VanDerWaalsContact NH2-CZ 3.3Å; M115-F218 HydrophobicContact CG-CB 4.38Å; M115-F218 HydrophobicContact SD-CB 3.3Å; M115-F218 WeakPolarHBondContact SD-CB 3.47Å; M115-F218 HydrophobicContact SD-CG 3.94Å; M214-F218 PolarHBondContact O-N 3.36Å; M214-F218 VanDerWaalsContact O-N 3.14Å; L215-F218 PolarHBondContact O-N 2.68Å; F218-Y220 VanDerWaalsContact C-N 3.27Å; F218-Y220 PolarHBondContact O-N 3.15Å; F218-Q221 PolarHBondContact O-N 3.06Å; F218-A222 HydrophobicContact CE2-CB 4.33Å; F218-A222 HydrophobicContact CZ-CB 4.14Å; F218-A222 WeakPolarHBondContact O-CB 3.48Å; F218-A222 PolarHBondContact O-N 3.23Å |
| 219 | Y | 96.8 | Very high | 95.7 | Very high | 157 Ų | 157 | 73 Ų | 73 | 62% | 0.616 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.7 | -38.6 | 178.9 | -75.6 | -61.8 | 0 | 0 | 0 | 112 | L215 F223 | L215-Y219 HydrophobicContact CB-CD2 4.44Å; L215-Y219 HydrophobicContact CB-CE2 4.32Å; L215-Y219 WeakPolarHBondContact O-CD2 3.47Å; L215-Y219 PolarHBondContact O-N 3.14Å; Y219-F223 WeakPolarHBondContact O-CB 3.49Å; Y219-F223 PolarHBondContact O-N 3.27Å |
| 220 | Y | 96 | Very high | 95.7 | Very high | 148 Ų | 148 | 71.9 Ų | 71.9 | 58% | 0.58 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.8 | -48.9 | 174.1 | -179.5 | -106.1 | 0 | 0 | 0 | 111.8 | S216 N217 F218 A222 F223 E224 | S216-Y220 WeakPolarHBondContact O-CB 3.28Å; S216-Y220 PolarHBondContact O-N 3.08Å; N217-Y220 PolarHBondContact O-N 3.36Å; F218-Y220 VanDerWaalsContact C-N 3.27Å; F218-Y220 PolarHBondContact O-N 3.15Å; Y220-A222 PolarHBondContact O-N 3.42Å; Y220-F223 WeakPolarHBondContact O-CB 3.47Å; Y220-F223 PolarHBondContact O-N 3.05Å; Y220-E224 HydrophobicContact CE1-CG 4.04Å; Y220-E224 HydrophobicContact CE2-CG 4.11Å; Y220-E224 WeakPolarHBondContact CE2-OE1 3.27Å; Y220-E224 PolarHBondContact O-N 3.25Å; Y220-E224 PolarHBondContact OH-OE1 3Å |
| 221 | Q | 95.1 | Very high | 95.6 | Very high | 89 Ų | 89 | 74.5 Ų | 74.5 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 179 | -173.9 | 174.8 | 2.8 | 0 | 0 | 112.2 | A111 N217 F218 F223 E224 Q225 | A111-Q221 HydrophobicContact CB-CG 4.17Å; N217-Q221 WeakPolarHBondContact O-CB 3.4Å; N217-Q221 PolarHBondContact O-N 2.94Å; F218-Q221 PolarHBondContact O-N 3.06Å; Q221-F223 VanDerWaalsContact C-N 3.33Å; Q221-F223 PolarHBondContact O-N 3.4Å; Q221-E224 PolarHBondContact O-N 3.05Å; Q221-Q225 WeakPolarHBondContact O-CG 3.39Å; Q221-Q225 PolarHBondContact O-N 3.38Å |
| 222 | A | 96.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 77.9 Ų | 77.9 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V108 F218 Y220 Q225 F226 | V108-A222 HydrophobicContact CG1-CB 3.87Å; F218-A222 HydrophobicContact CE2-CB 4.33Å; F218-A222 HydrophobicContact CZ-CB 4.14Å; F218-A222 WeakPolarHBondContact O-CB 3.48Å; F218-A222 PolarHBondContact O-N 3.23Å; Y220-A222 PolarHBondContact O-N 3.42Å; A222-Q225 PolarHBondContact O-N 3.5Å; A222-F226 WeakPolarHBondContact O-CD2 3.31Å; A222-F226 PolarHBondContact O-N 3.04Å; A222-F226 VanDerWaalsContact O-N 3.15Å |
| 223 | F | 96.5 | Very high | 95.6 | Very high | 89 Ų | 89 | 74.5 Ų | 74.5 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 175.9 | 174.6 | -97.3 | 0 | 0 | 0 | 112.2 | Y219 Y220 Q221 Q225 F226 K227 | Y219-F223 WeakPolarHBondContact O-CB 3.49Å; Y219-F223 PolarHBondContact O-N 3.27Å; Y220-F223 WeakPolarHBondContact O-CB 3.47Å; Y220-F223 PolarHBondContact O-N 3.05Å; Q221-F223 VanDerWaalsContact C-N 3.33Å; Q221-F223 PolarHBondContact O-N 3.4Å; F223-Q225 VanDerWaalsContact C-N 3.32Å; F223-Q225 PolarHBondContact O-N 3.16Å; F223-F226 PolarHBondContact O-N 3.14Å; F223-K227 HydrophobicContact CE1-CD 4.02Å; F223-K227 HydrophobicContact CZ-CD 4.45Å; F223-K227 WeakPolarHBondContact O-CB 3.47Å; F223-K227 PolarHBondContact O-N 3.24Å |
| 224 | E | 95.3 | Very high | 95.6 | Very high | 43 Ų | 43 | 70.6 Ų | 70.6 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 178.1 | -66.2 | -63.8 | 158.9 | 0 | 0 | 111.7 | Y220 Q221 F226 K227 D228 | Y220-E224 HydrophobicContact CE1-CG 4.04Å; Y220-E224 HydrophobicContact CE2-CG 4.11Å; Y220-E224 WeakPolarHBondContact CE2-OE1 3.27Å; Y220-E224 PolarHBondContact O-N 3.25Å; Y220-E224 PolarHBondContact OH-OE1 3Å; Q221-E224 PolarHBondContact O-N 3.05Å; E224-F226 PolarHBondContact O-N 2.76Å; E224-K227 PolarHBondContact O-N 2.95Å; E224-K227 IonicContact OE2-NZ 3.12Å; E224-K227 PolarHBondContact OE2-NZ 3.21Å; E224-D228 WeakPolarHBondContact O-CB 3.49Å; E224-D228 PolarHBondContact O-N 3.2Å |
| 225 | Q | 93.4 | Very high | 95.6 | Very high | 50 Ų | 50 | 75.1 Ų | 75.1 | 23% | 0.234 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 175.6 | -70.5 | -64.6 | -44.6 | 0 | 0 | 113 | V108 Q221 A222 F223 S229 | V108-Q225 HydrophobicContact CG2-CB 3.74Å; V108-Q225 HydrophobicContact CG2-CG 4.28Å; Q221-Q225 WeakPolarHBondContact O-CG 3.39Å; Q221-Q225 PolarHBondContact O-N 3.38Å; A222-Q225 PolarHBondContact O-N 3.5Å; F223-Q225 VanDerWaalsContact C-N 3.32Å; F223-Q225 PolarHBondContact O-N 3.16Å; Q225-S229 WeakPolarHBondContact O-CB 3.38Å; Q225-S229 PolarHBondContact O-N 3.42Å; Q225-S229 PolarHBondContact O-OG 2.81Å |
| 226 | F | 95.6 | Very high | 95.6 | Very high | 68 Ų | 68 | 73.9 Ų | 73.9 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.3 | -38.3 | 176.7 | -77.8 | -67.1 | 0 | 0 | 0 | 112.1 | I104 V108 A222 F223 E224 S229 S230 | I104-F226 HydrophobicContact CG2-CD1 3.87Å; I104-F226 HydrophobicContact CG2-CE1 3.69Å; I104-F226 HydrophobicContact CG2-CZ 4.47Å; V108-F226 HydrophobicContact CG1-CE2 4.36Å; V108-F226 HydrophobicContact CG2-CD2 4.33Å; V108-F226 HydrophobicContact CG2-CE2 3.84Å; V108-F226 HydrophobicContact CG2-CZ 4.12Å; A222-F226 WeakPolarHBondContact O-CD2 3.31Å; A222-F226 PolarHBondContact O-N 3.04Å; A222-F226 VanDerWaalsContact O-N 3.15Å; F223-F226 PolarHBondContact O-N 3.14Å; E224-F226 PolarHBondContact O-N 2.76Å; F226-S229 CarbonylContact O-C 3.6Å; F226-S229 PolarHBondContact O-N 3.02Å; F226-S230 PolarHBondContact O-N 2.76Å |
| 227 | K | 95.3 | Very high | 95.6 | Very high | 109 Ų | 109 | 75.9 Ų | 75.9 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.5 | -179.2 | -177.4 | 167.6 | -163.2 | 0 | 111.7 | F223 E224 S229 S230 | F223-K227 HydrophobicContact CE1-CD 4.02Å; F223-K227 HydrophobicContact CZ-CD 4.45Å; F223-K227 WeakPolarHBondContact O-CB 3.47Å; F223-K227 PolarHBondContact O-N 3.24Å; E224-K227 PolarHBondContact O-N 2.95Å; E224-K227 IonicContact OE2-NZ 3.12Å; E224-K227 PolarHBondContact OE2-NZ 3.21Å; K227-S229 PolarHBondContact O-N 3.28Å; K227-S230 VanDerWaalsContact O-CB 3.23Å; K227-S230 WeakPolarHBondContact O-CB 3.46Å; K227-S230 PolarHBondContact O-N 3.33Å; K227-S230 VanDerWaalsContact O-N 3.14Å; K227-S230 PolarHBondContact O-OG 3.12Å |
| 228 | D | 94.7 | Very high | 95.6 | Very high | 115 Ų | 115 | 76.5 Ų | 76.5 | 62% | 0.615 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.4 | -32.6 | 175.9 | -74 | -16.6 | 0 | 0 | 0 | 111.8 | E224 | E224-D228 WeakPolarHBondContact O-CB 3.49Å; E224-D228 PolarHBondContact O-N 3.2Å |
| 229 | S | 95.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 76 Ų | 76 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -88.6 | -5.2 | -179.5 | -51.7 | 0 | 0 | 0 | 0 | 114.2 | Q225 F226 K227 N231 Q232 I233 | Q225-S229 WeakPolarHBondContact O-CB 3.38Å; Q225-S229 PolarHBondContact O-N 3.42Å; Q225-S229 PolarHBondContact O-OG 2.81Å; F226-S229 CarbonylContact O-C 3.6Å; F226-S229 PolarHBondContact O-N 3.02Å; K227-S229 PolarHBondContact O-N 3.28Å; S229-N231 VanDerWaalsContact C-N 3.31Å; S229-N231 PolarHBondContact O-N 3.47Å; S229-Q232 WeakPolarHBondContact O-CB 3.35Å; S229-Q232 PolarHBondContact O-N 3.39Å; S229-I233 WeakPolarHBondContact O-CG1 3.45Å; S229-I233 PolarHBondContact O-N 3.07Å |
| 230 | S | 95.7 | Very high | 95.4 | Very high | 43 Ų | 43 | 70.7 Ų | 70.7 | 30% | 0.301 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.3 | -41.4 | -173.3 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | F226 K227 Q232 I233 N234 | F226-S230 PolarHBondContact O-N 2.76Å; K227-S230 VanDerWaalsContact O-CB 3.23Å; K227-S230 WeakPolarHBondContact O-CB 3.46Å; K227-S230 PolarHBondContact O-N 3.33Å; K227-S230 VanDerWaalsContact O-N 3.14Å; K227-S230 PolarHBondContact O-OG 3.12Å; S230-Q232 VanDerWaalsContact C-N 3.34Å; S230-Q232 PolarHBondContact O-N 3.49Å; S230-I233 PolarHBondContact O-N 3.15Å; S230-N234 WeakPolarHBondContact O-CB 3.33Å; S230-N234 VanDerWaalsContact O-CG 3.24Å; S230-N234 PolarHBondContact O-N 3.28Å; S230-N234 PolarHBondContact O-ND2 3.41Å; S230-N234 VanDerWaalsContact O-ND2 3.16Å |
| 231 | N | 94.8 | Very high | 95.3 | Very high | 110 Ų | 110 | 68.7 Ų | 68.7 | 59% | 0.588 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 177.9 | -72.4 | -35.1 | 0 | 0 | 0 | 112 | S229 N234 Q235 | S229-N231 VanDerWaalsContact C-N 3.31Å; S229-N231 PolarHBondContact O-N 3.47Å; N231-N234 PolarHBondContact O-N 2.89Å; N231-Q235 WeakPolarHBondContact O-CB 3.22Å; N231-Q235 WeakPolarHBondContact O-CG 3.36Å; N231-Q235 PolarHBondContact O-N 3.39Å |
| 232 | Q | 95 | Very high | 95.2 | Very high | 96 Ų | 96 | 66.7 Ų | 66.7 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.1 | -44 | 178.1 | -66.6 | -179.9 | -25.3 | 0 | 0 | 111.1 | V100 S229 S230 N234 Q235 I236 | V100-Q232 HydrophobicContact CG1-CB 4.19Å; S229-Q232 WeakPolarHBondContact O-CB 3.35Å; S229-Q232 PolarHBondContact O-N 3.39Å; S230-Q232 VanDerWaalsContact C-N 3.34Å; S230-Q232 PolarHBondContact O-N 3.49Å; Q232-N234 VanDerWaalsContact C-N 3.31Å; Q232-N234 PolarHBondContact O-N 3.24Å; Q232-Q235 PolarHBondContact O-N 3.11Å; Q232-I236 WeakPolarHBondContact O-CG1 3.23Å; Q232-I236 PolarHBondContact O-N 2.97Å |
| 233 | I | 96.3 | Very high | 95 | Very high | 49 Ų | 49 | 68.2 Ų | 68.2 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 176.1 | -63.3 | 169.5 | 0 | 0 | 0 | 110.1 | Y101 I104 S229 S230 Q235 I236 L237 | Y101-I233 HydrophobicContact CE1-CG1 4.14Å; I104-I233 HydrophobicContact CD1-CD1 4.3Å; I104-I233 HydrophobicContact CD1-CG1 4.13Å; S229-I233 WeakPolarHBondContact O-CG1 3.45Å; S229-I233 PolarHBondContact O-N 3.07Å; S230-I233 PolarHBondContact O-N 3.15Å; I233-Q235 PolarHBondContact O-N 3.42Å; I233-I236 PolarHBondContact O-N 3.26Å; I233-L237 WeakPolarHBondContact O-CB 3.41Å; I233-L237 PolarHBondContact O-N 3.36Å |
| 234 | N | 95.9 | Very high | 94.8 | Very high | 79 Ų | 79 | 67 Ų | 67 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 178.5 | -74 | -31.1 | 0 | 0 | 0 | 112.4 | S230 N231 Q232 L237 Q238 | S230-N234 WeakPolarHBondContact O-CB 3.33Å; S230-N234 VanDerWaalsContact O-CG 3.24Å; S230-N234 PolarHBondContact O-N 3.28Å; S230-N234 PolarHBondContact O-ND2 3.41Å; S230-N234 VanDerWaalsContact O-ND2 3.16Å; N231-N234 PolarHBondContact O-N 2.89Å; Q232-N234 VanDerWaalsContact C-N 3.31Å; Q232-N234 PolarHBondContact O-N 3.24Å; N234-L237 PolarHBondContact O-N 3.33Å; N234-Q238 WeakPolarHBondContact O-CB 3.5Å; N234-Q238 VanDerWaalsContact O-CG 3.23Å; N234-Q238 WeakPolarHBondContact O-CG 3.47Å; N234-Q238 PolarHBondContact O-N 3.38Å |
| 235 | Q | 95.9 | Very high | 94.6 | Very high | 106 Ų | 106 | 65.8 Ų | 65.8 | 50% | 0.495 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 175.2 | -76.3 | 171.3 | 13.4 | 0 | 0 | 111.8 | N231 Q232 I233 Q238 A239 | N231-Q235 WeakPolarHBondContact O-CB 3.22Å; N231-Q235 WeakPolarHBondContact O-CG 3.36Å; N231-Q235 PolarHBondContact O-N 3.39Å; Q232-Q235 PolarHBondContact O-N 3.11Å; I233-Q235 PolarHBondContact O-N 3.42Å; Q235-Q238 PolarHBondContact O-N 3.44Å; Q235-A239 WeakPolarHBondContact O-CB 3.27Å; Q235-A239 PolarHBondContact O-N 3.31Å |
| 236 | I | 97.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 64.5 Ų | 64.5 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 176.4 | -68.2 | 162.4 | 0 | 0 | 0 | 110.6 | I93 A97 V100 Y101 Q232 I233 Q238 A239 A240 | I93-I236 HydrophobicContact CG2-CB 4.39Å; I93-I236 HydrophobicContact CG2-CG1 3.88Å; A97-I236 HydrophobicContact CB-CB 4.4Å; A97-I236 HydrophobicContact CB-CD1 3.91Å; A97-I236 HydrophobicContact CB-CG1 3.99Å; A97-I236 HydrophobicContact CB-CG2 3.5Å; A97-I236 VanDerWaalsContact CB-CG2 3.5Å; V100-I236 HydrophobicContact CB-CD1 4.03Å; V100-I236 HydrophobicContact CG1-CD1 3.92Å; Y101-I236 HydrophobicContact CD1-CD1 4.48Å; Y101-I236 HydrophobicContact CE1-CD1 3.87Å; Y101-I236 HydrophobicContact CE2-CG2 4.26Å; Y101-I236 WeakPolarHBondContact OH-CG2 3.2Å; Q232-I236 WeakPolarHBondContact O-CG1 3.23Å; Q232-I236 PolarHBondContact O-N 2.97Å; I233-I236 PolarHBondContact O-N 3.26Å; I236-Q238 VanDerWaalsContact C-N 3.33Å; I236-Q238 PolarHBondContact O-N 3.46Å; I236-A239 PolarHBondContact O-N 3.48Å; I236-A240 WeakPolarHBondContact O-CB 3.17Å; I236-A240 PolarHBondContact O-N 3.5Å |
| 237 | L | 95.7 | Very high | 94.2 | Very high | 107 Ų | 107 | 68.6 Ų | 68.6 | 56% | 0.56 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 179.9 | -177.6 | 62.4 | 0 | 0 | 0 | 111.5 | I233 N234 A240 Q241 | I233-L237 WeakPolarHBondContact O-CB 3.41Å; I233-L237 PolarHBondContact O-N 3.36Å; N234-L237 PolarHBondContact O-N 3.33Å; L237-A240 PolarHBondContact O-N 3.49Å; L237-Q241 PolarHBondContact O-N 3.46Å |
| 238 | Q | 94.1 | Very high | 93.9 | Very high | 102 Ų | 102 | 68.9 Ų | 68.9 | 48% | 0.477 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 177.5 | -72.1 | 174.6 | 12.1 | 0 | 0 | 112.2 | N234 Q235 I236 A240 Q241 R242 | N234-Q238 WeakPolarHBondContact O-CB 3.5Å; N234-Q238 VanDerWaalsContact O-CG 3.23Å; N234-Q238 WeakPolarHBondContact O-CG 3.47Å; N234-Q238 PolarHBondContact O-N 3.38Å; Q235-Q238 PolarHBondContact O-N 3.44Å; I236-Q238 VanDerWaalsContact C-N 3.33Å; I236-Q238 PolarHBondContact O-N 3.46Å; Q238-A240 VanDerWaalsContact C-N 3.34Å; Q238-A240 PolarHBondContact O-N 3.29Å; Q238-Q241 PolarHBondContact O-N 3.32Å; Q238-R242 WeakPolarHBondContact O-CG 3.11Å; Q238-R242 PolarHBondContact O-N 3.11Å |
| 239 | A | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | D90 I93 I94 Q235 I236 Q241 R242 S243 | D90-A239 HydrophobicContact CB-CB 4.01Å; D90-A239 WeakPolarHBondContact OD1-CB 3.26Å; I93-A239 HydrophobicContact CB-CB 4.01Å; I93-A239 HydrophobicContact CD1-CB 4.35Å; I93-A239 HydrophobicContact CG2-CB 3.73Å; I94-A239 HydrophobicContact CG1-CB 4.14Å; Q235-A239 WeakPolarHBondContact O-CB 3.27Å; Q235-A239 PolarHBondContact O-N 3.31Å; I236-A239 PolarHBondContact O-N 3.48Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; A239-Q241 PolarHBondContact O-N 3.26Å; A239-R242 PolarHBondContact O-N 3.19Å; A239-S243 WeakPolarHBondContact O-CB 3.02Å; A239-S243 PolarHBondContact O-N 3.15Å |
| 240 | A | 95.1 | Very high | 93.2 | Very high | 45 Ų | 45 | 66.1 Ų | 66.1 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I236 L237 Q238 S243 S244 | I236-A240 WeakPolarHBondContact O-CB 3.17Å; I236-A240 PolarHBondContact O-N 3.5Å; L237-A240 PolarHBondContact O-N 3.49Å; Q238-A240 VanDerWaalsContact C-N 3.34Å; Q238-A240 PolarHBondContact O-N 3.29Å; A240-S243 PolarHBondContact O-N 3.43Å; A240-S244 PolarHBondContact O-N 3.17Å |
| 241 | Q | 93.4 | Very high | 92.9 | Very high | 106 Ų | 106 | 65.6 Ų | 65.6 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -49.5 | 175.9 | -177 | 175.7 | -6.8 | 0 | 0 | 111.6 | L237 Q238 A239 S243 S244 E245 | L237-Q241 PolarHBondContact O-N 3.46Å; Q238-Q241 PolarHBondContact O-N 3.32Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; A239-Q241 PolarHBondContact O-N 3.26Å; Q241-S243 VanDerWaalsContact C-N 3.32Å; Q241-S243 PolarHBondContact O-N 3.14Å; Q241-S244 WeakPolarHBondContact O-CB 3.41Å; Q241-S244 PolarHBondContact O-N 3.31Å; Q241-S244 VanDerWaalsContact O-N 3.1Å; Q241-E245 WeakPolarHBondContact O-CG 3.39Å; Q241-E245 PolarHBondContact O-N 3.42Å |
| 242 | R | 92 | Very high | 92.6 | Very high | 48 Ų | 48 | 64.9 Ų | 64.9 | 18% | 0.181 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 177.2 | -73.6 | -170.9 | -66.4 | -98.2 | 1.5 | 112 | D90 Q238 A239 S244 E245 N246 S539 | D90-R242 IonicContact OD1-CZ 2.6Å; D90-R242 VanDerWaalsContact OD1-CZ 3.32Å; D90-R242 IonicContact OD1-NE 2.74Å; D90-R242 PolarHBondContact OD1-NE 3.3Å; D90-R242 VanDerWaalsContact OD1-NE 3.11Å; D90-R242 IonicContact OD1-NH2 3Å; D90-R242 PolarHBondContact OD1-NH2 3.49Å; D90-R242 VanDerWaalsContact OD2-CB 3.31Å; D90-R242 WeakPolarHBondContact OD2-CB 3.02Å; D90-R242 WeakPolarHBondContact OD2-CD 3.42Å; D90-R242 IonicContact OD2-CZ 3.79Å; D90-R242 IonicContact OD2-NE 2.81Å; D90-R242 PolarHBondContact OD2-NE 3.17Å; D90-R242 IonicContact OD2-NH2 3.66Å; Q238-R242 WeakPolarHBondContact O-CG 3.11Å; Q238-R242 PolarHBondContact O-N 3.11Å; A239-R242 PolarHBondContact O-N 3.19Å; R242-S244 VanDerWaalsContact C-N 3.31Å; R242-S244 PolarHBondContact O-N 3.01Å; R242-E245 PolarHBondContact O-N 3.45Å; R242-N246 VanDerWaalsContact O-CB 3.26Å; R242-N246 WeakPolarHBondContact O-CB 3.2Å; R242-N246 PolarHBondContact O-N 2.98Å; R242-S539 WeakPolarHBondContact CD-OG 3.08Å; R242-S539 WeakPolarHBondContact CG-OG 3.11Å |
| 243 | S | 91.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | A239 A240 Q241 Y247 | A239-S243 WeakPolarHBondContact O-CB 3.02Å; A239-S243 PolarHBondContact O-N 3.15Å; A240-S243 PolarHBondContact O-N 3.43Å; Q241-S243 VanDerWaalsContact C-N 3.32Å; Q241-S243 PolarHBondContact O-N 3.14Å; S243-Y247 WeakPolarHBondContact O-CB 3.18Å; S243-Y247 PolarHBondContact O-N 2.94Å |
| 244 | S | 92.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 61.1 Ų | 61.1 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 175.6 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | A240 Q241 R242 N246 Y247 E248 | A240-S244 PolarHBondContact O-N 3.17Å; Q241-S244 WeakPolarHBondContact O-CB 3.41Å; Q241-S244 PolarHBondContact O-N 3.31Å; Q241-S244 VanDerWaalsContact O-N 3.1Å; R242-S244 VanDerWaalsContact C-N 3.31Å; R242-S244 PolarHBondContact O-N 3.01Å; S244-N246 VanDerWaalsContact C-N 3.34Å; S244-N246 PolarHBondContact O-N 3.09Å; S244-Y247 WeakPolarHBondContact O-CB 3.42Å; S244-Y247 PolarHBondContact O-N 3.25Å; S244-E248 PolarHBondContact O-N 3.22Å |
| 245 | E | 91 | Very high | 91.4 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 179.1 | -67.1 | -173.2 | 163.6 | 0 | 0 | 111.9 | Q241 R242 Y247 E248 Q249 R429 N540 I543 | Q241-E245 WeakPolarHBondContact O-CG 3.39Å; Q241-E245 PolarHBondContact O-N 3.42Å; R242-E245 PolarHBondContact O-N 3.45Å; E245-Y247 VanDerWaalsContact C-N 3.33Å; E245-Y247 PolarHBondContact O-N 3.16Å; E245-E248 PolarHBondContact O-N 3.42Å; E245-Q249 PolarHBondContact O-N 3.47Å; E245-Q249 VanDerWaalsContact O-N 3.08Å; E245-R429 VanDerWaalsContact CD-NH2 3.28Å; E245-R429 IonicContact OE1-CZ 3.15Å; E245-R429 IonicContact OE1-NH1 3.6Å; E245-R429 PolarHBondContact OE1-NH1 3.33Å; E245-R429 IonicContact OE1-NH2 3.54Å; E245-R429 PolarHBondContact OE1-NH2 3.12Å; E245-R429 VanDerWaalsContact OE1-NH2 3.08Å; E245-R429 IonicContact OE2-NH1 2.81Å; E245-R429 IonicContact OE2-NH2 2.66Å; E245-N540 PolarHBondContact OE2-OD1 3.46Å; E245-I543 HydrophobicContact CB-CD1 3.87Å |
| 246 | N | 89.7 | Confident | 91 | Very high | 22 Ų | 22 | 61 Ų | 61 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 174.3 | -177.9 | 69.5 | 0 | 0 | 0 | 111.4 | R242 S244 Q249 I250 I543 | R242-N246 VanDerWaalsContact O-CB 3.26Å; R242-N246 WeakPolarHBondContact O-CB 3.2Å; R242-N246 PolarHBondContact O-N 2.98Å; S244-N246 VanDerWaalsContact C-N 3.34Å; S244-N246 PolarHBondContact O-N 3.09Å; N246-Q249 PolarHBondContact O-N 3.33Å; N246-I250 VanDerWaalsContact ND2-CD1 3.29Å; N246-I250 WeakPolarHBondContact ND2-CD1 3.41Å; N246-I250 WeakPolarHBondContact O-CB 3.4Å; N246-I250 VanDerWaalsContact O-CG1 3.3Å; N246-I250 WeakPolarHBondContact O-CG1 3.41Å; N246-I250 PolarHBondContact O-N 3.36Å; N246-I543 HydrophobicContact CB-CD1 4.44Å |
| 247 | Y | 90.8 | Very high | 90.4 | Very high | 155 Ų | 155 | 61.1 Ų | 61.1 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 173.6 | 174.7 | -102.2 | 0 | 0 | 0 | 112.5 | S243 S244 E245 Q249 I250 S251 | S243-Y247 WeakPolarHBondContact O-CB 3.18Å; S243-Y247 PolarHBondContact O-N 2.94Å; S244-Y247 WeakPolarHBondContact O-CB 3.42Å; S244-Y247 PolarHBondContact O-N 3.25Å; E245-Y247 VanDerWaalsContact C-N 3.33Å; E245-Y247 PolarHBondContact O-N 3.16Å; Y247-Q249 VanDerWaalsContact C-N 3.31Å; Y247-Q249 PolarHBondContact O-N 2.93Å; Y247-I250 PolarHBondContact O-N 2.95Å; Y247-S251 VanDerWaalsContact O-CB 3.25Å; Y247-S251 WeakPolarHBondContact O-CB 3.43Å; Y247-S251 PolarHBondContact O-N 3.21Å |
| 248 | E | 90.2 | Very high | 90 | Very high | 115 Ų | 115 | 59.4 Ų | 59.4 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 174.5 | -71.9 | -179.3 | 174.7 | 0 | 0 | 111.4 | S244 E245 S251 L252 | S244-E248 PolarHBondContact O-N 3.22Å; E245-E248 PolarHBondContact O-N 3.42Å; E248-S251 PolarHBondContact O-N 3.42Å; E248-L252 PolarHBondContact O-N 3.47Å |
| 249 | Q | 88.9 | Confident | 89.7 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -47 | 176.7 | -173.3 | 60 | 30.6 | 0 | 0 | 111.6 | E245 N246 Y247 S251 L252 E253 I543 P547 | E245-Q249 PolarHBondContact O-N 3.47Å; E245-Q249 VanDerWaalsContact O-N 3.08Å; N246-Q249 PolarHBondContact O-N 3.33Å; Y247-Q249 VanDerWaalsContact C-N 3.31Å; Y247-Q249 PolarHBondContact O-N 2.93Å; Q249-S251 VanDerWaalsContact C-N 3.29Å; Q249-S251 PolarHBondContact O-N 3.17Å; Q249-L252 PolarHBondContact O-N 3.43Å; Q249-E253 PolarHBondContact NE2-OE1 3.21Å; Q249-E253 WeakPolarHBondContact O-CG 3.45Å; Q249-E253 PolarHBondContact O-N 3.02Å; Q249-I543 HydrophobicContact CB-CG2 4Å; Q249-I543 HydrophobicContact CG-CG2 4.4Å; Q249-P547 HydrophobicContact CG-CG 3.85Å |
| 250 | I | 87.5 | Confident | 89.1 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 175.5 | -75.4 | 170.5 | 0 | 0 | 0 | 111 | N246 Y247 E253 S254 I560 | N246-I250 VanDerWaalsContact ND2-CD1 3.29Å; N246-I250 WeakPolarHBondContact ND2-CD1 3.41Å; N246-I250 WeakPolarHBondContact O-CB 3.4Å; N246-I250 VanDerWaalsContact O-CG1 3.3Å; N246-I250 WeakPolarHBondContact O-CG1 3.41Å; N246-I250 PolarHBondContact O-N 3.36Å; Y247-I250 PolarHBondContact O-N 2.95Å; I250-E253 PolarHBondContact O-N 3.48Å; I250-S254 VanDerWaalsContact O-CB 3.24Å; I250-S254 WeakPolarHBondContact O-CB 3.31Å; I250-S254 PolarHBondContact O-N 3.34Å; I250-I560 HydrophobicContact CB-CG2 4.13Å; I250-I560 HydrophobicContact CG1-CG2 4.11Å; I250-I560 HydrophobicContact CG2-CG2 3.91Å |
| 251 | S | 89.8 | Confident | 88.5 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 22% | 0.217 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 179 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | Y247 E248 Q249 S254 K255 | Y247-S251 VanDerWaalsContact O-CB 3.25Å; Y247-S251 WeakPolarHBondContact O-CB 3.43Å; Y247-S251 PolarHBondContact O-N 3.21Å; E248-S251 PolarHBondContact O-N 3.42Å; Q249-S251 VanDerWaalsContact C-N 3.29Å; Q249-S251 PolarHBondContact O-N 3.17Å; S251-S254 PolarHBondContact O-N 3.45Å; S251-K255 WeakPolarHBondContact O-CG 3.38Å; S251-K255 PolarHBondContact O-N 3.28Å |
| 252 | L | 88 | Confident | 88.2 | Confident | 96 Ų | 96 | 68 Ų | 68 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.9 | -178 | 63.3 | 0 | 0 | 0 | 111.9 | E248 Q249 K255 T256 | E248-L252 PolarHBondContact O-N 3.47Å; Q249-L252 PolarHBondContact O-N 3.43Å; L252-K255 PolarHBondContact O-N 2.94Å; L252-T256 PolarHBondContact O-N 3.24Å; L252-T256 PolarHBondContact O-OG1 3.32Å |
| 253 | E | 86.1 | Confident | 87.8 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 12% | 0.121 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 176.3 | -68.5 | -61.3 | 161.1 | 0 | 0 | 111.4 | Q249 I250 K255 T256 L257 R472 I560 | Q249-E253 PolarHBondContact NE2-OE1 3.21Å; Q249-E253 WeakPolarHBondContact O-CG 3.45Å; Q249-E253 PolarHBondContact O-N 3.02Å; I250-E253 PolarHBondContact O-N 3.48Å; E253-K255 PolarHBondContact O-N 3.16Å; E253-T256 PolarHBondContact O-N 2.97Å; E253-L257 WeakPolarHBondContact O-CB 3.36Å; E253-L257 PolarHBondContact O-N 2.89Å; E253-R472 IonicContact OE1-CZ 2.72Å; E253-R472 IonicContact OE1-NH1 3.46Å; E253-R472 IonicContact OE1-NH2 2.7Å; E253-R472 IonicContact OE2-CZ 3.39Å; E253-R472 IonicContact OE2-NH2 3.84Å; E253-R472 PolarHBondContact OE2-NH2 3.16Å; E253-I560 HydrophobicContact CB-CD1 4.15Å; E253-I560 HydrophobicContact CB-CG1 4.25Å; E253-I560 HydrophobicContact CB-CG2 3.8Å |
| 254 | S | 86.4 | Confident | 87.2 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | I250 S251 L257 T258 | I250-S254 VanDerWaalsContact O-CB 3.24Å; I250-S254 WeakPolarHBondContact O-CB 3.31Å; I250-S254 PolarHBondContact O-N 3.34Å; S251-S254 PolarHBondContact O-N 3.45Å; S254-L257 PolarHBondContact O-N 3.43Å; S254-T258 WeakPolarHBondContact O-CB 3.28Å; S254-T258 PolarHBondContact O-N 2.94Å; S254-T258 PolarHBondContact O-OG1 2.96Å |
| 255 | K | 89.7 | Confident | 86.7 | Confident | 129 Ų | 129 | 72.2 Ų | 72.2 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 173.1 | -74.9 | 173.4 | -176.5 | 173.5 | 0 | 111.8 | S251 L252 E253 L257 T258 E259 | S251-K255 WeakPolarHBondContact O-CG 3.38Å; S251-K255 PolarHBondContact O-N 3.28Å; L252-K255 PolarHBondContact O-N 2.94Å; E253-K255 PolarHBondContact O-N 3.16Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 2.91Å; K255-T258 WeakPolarHBondContact O-CB 3.26Å; K255-T258 PolarHBondContact O-N 3.38Å; K255-T258 VanDerWaalsContact O-N 3.15Å; K255-E259 WeakPolarHBondContact O-CG 3.46Å; K255-E259 PolarHBondContact O-N 3.02Å |
| 256 | T | 86.2 | Confident | 86.2 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 34% | 0.337 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.6 | -55 | 0 | 0 | 0 | 0 | 111 | L252 E253 T258 E259 K260 | L252-T256 PolarHBondContact O-N 3.24Å; L252-T256 PolarHBondContact O-OG1 3.32Å; E253-T256 PolarHBondContact O-N 2.97Å; T256-T258 VanDerWaalsContact C-N 3.31Å; T256-T258 PolarHBondContact O-N 3.43Å; T256-E259 PolarHBondContact O-N 2.95Å; T256-K260 WeakPolarHBondContact O-CB 3.33Å; T256-K260 PolarHBondContact O-N 3.39Å |
| 257 | L | 85.1 | Confident | 85.6 | Confident | 15 Ų | 15 | 76.1 Ų | 76.1 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 174.7 | -179.3 | 59.4 | 0 | 0 | 0 | 111.2 | E253 S254 K255 K260 L261 E555 I560 | E253-L257 WeakPolarHBondContact O-CB 3.36Å; E253-L257 PolarHBondContact O-N 2.89Å; S254-L257 PolarHBondContact O-N 3.43Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 2.91Å; L257-K260 PolarHBondContact O-N 3.25Å; L257-L261 HydrophobicContact CD1-CD1 3.96Å; L257-L261 HydrophobicContact CD1-CD2 4.44Å; L257-L261 HydrophobicContact CD1-CG 3.91Å; L257-L261 HydrophobicContact CD2-CD1 4.43Å; L257-L261 HydrophobicContact CG-CD1 3.83Å; L257-L261 HydrophobicContact CG-CG 4.21Å; L257-L261 WeakPolarHBondContact O-CB 3.24Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.39Å; L257-L261 PolarHBondContact O-N 3.5Å; L257-E555 HydrophobicContact CD1-CB 3.89Å; L257-I560 HydrophobicContact CB-CD1 4.12Å; L257-I560 HydrophobicContact CD2-CD1 3.69Å |
| 258 | T | 88.1 | Confident | 84.8 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 43% | 0.429 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 177.8 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | S254 K255 T256 K260 L261 L262 | S254-T258 WeakPolarHBondContact O-CB 3.28Å; S254-T258 PolarHBondContact O-N 2.94Å; S254-T258 PolarHBondContact O-OG1 2.96Å; K255-T258 WeakPolarHBondContact O-CB 3.26Å; K255-T258 PolarHBondContact O-N 3.38Å; K255-T258 VanDerWaalsContact O-N 3.15Å; T256-T258 VanDerWaalsContact C-N 3.31Å; T256-T258 PolarHBondContact O-N 3.43Å; T258-K260 VanDerWaalsContact C-N 3.29Å; T258-K260 PolarHBondContact O-N 3.1Å; T258-L261 PolarHBondContact O-N 2.76Å; T258-L262 HydrophobicContact CG2-CD1 3.92Å; T258-L262 HydrophobicContact CG2-CG 4.4Å; T258-L262 WeakPolarHBondContact O-CB 3.37Å; T258-L262 VanDerWaalsContact O-CG 3.25Å; T258-L262 WeakPolarHBondContact O-CG 3.41Å; T258-L262 PolarHBondContact O-N 2.75Å |
| 259 | E | 87.3 | Confident | 84 | Confident | 127 Ų | 127 | 71.8 Ų | 71.8 | 59% | 0.593 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.4 | -41.2 | 176.4 | -72.4 | 175.6 | -173.5 | 0 | 0 | 111.6 | K255 T256 N263 | K255-E259 WeakPolarHBondContact O-CG 3.46Å; K255-E259 PolarHBondContact O-N 3.02Å; T256-E259 PolarHBondContact O-N 2.95Å; E259-N263 PolarHBondContact O-N 3.44Å; E259-N263 PolarHBondContact O-ND2 2.74Å |
| 260 | K | 82.1 | Confident | 83.2 | Confident | 104 Ų | 104 | 72.8 Ų | 72.8 | 45% | 0.452 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 176.9 | -173.6 | -179.2 | 178.4 | -173.9 | 0 | 111.5 | T256 L257 T258 L262 N263 T264 E555 | T256-K260 WeakPolarHBondContact O-CB 3.33Å; T256-K260 PolarHBondContact O-N 3.39Å; L257-K260 PolarHBondContact O-N 3.25Å; T258-K260 VanDerWaalsContact C-N 3.29Å; T258-K260 PolarHBondContact O-N 3.1Å; K260-L262 VanDerWaalsContact C-N 3.34Å; K260-L262 PolarHBondContact O-N 2.85Å; K260-N263 CarbonylContact O-C 3.52Å; K260-N263 PolarHBondContact O-N 3.06Å; K260-N263 VanDerWaalsContact O-N 3.16Å; K260-T264 PolarHBondContact O-N 3.25Å; K260-T264 VanDerWaalsContact O-N 3.12Å; K260-T264 PolarHBondContact O-OG1 3.28Å; K260-E555 WeakPolarHBondContact CD-OE2 3.42Å; K260-E555 WeakPolarHBondContact CE-OE2 3.46Å; K260-E555 IonicContact NZ-OE1 3.5Å; K260-E555 PolarHBondContact NZ-OE1 2.86Å; K260-E555 IonicContact NZ-OE2 3.66Å; K260-E555 PolarHBondContact NZ-OE2 3.38Å |
| 261 | L | 82.7 | Confident | 82.1 | Confident | 64 Ų | 64 | 72.6 Ų | 72.6 | 34% | 0.335 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | -179.4 | -70.5 | 177.4 | 0 | 0 | 0 | 111.9 | L257 T258 N263 T264 I269 | L257-L261 HydrophobicContact CD1-CD1 3.96Å; L257-L261 HydrophobicContact CD1-CD2 4.44Å; L257-L261 HydrophobicContact CD1-CG 3.91Å; L257-L261 HydrophobicContact CD2-CD1 4.43Å; L257-L261 HydrophobicContact CG-CD1 3.83Å; L257-L261 HydrophobicContact CG-CG 4.21Å; L257-L261 WeakPolarHBondContact O-CB 3.24Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.39Å; L257-L261 PolarHBondContact O-N 3.5Å; T258-L261 PolarHBondContact O-N 2.76Å; L261-N263 PolarHBondContact O-N 2.74Å; L261-T264 PolarHBondContact O-N 2.89Å; L261-T264 VanDerWaalsContact O-N 3.07Å; L261-I269 HydrophobicContact CB-CD1 4.24Å; L261-I269 HydrophobicContact CD2-CD1 4.18Å; L261-I269 HydrophobicContact CD2-CG1 4.08Å; L261-I269 HydrophobicContact CD2-CG2 4.14Å; L261-I269 VanDerWaalsContact O-CD1 3.25Å; L261-I269 WeakPolarHBondContact O-CD1 3.35Å |
| 262 | L | 85.7 | Confident | 80.5 | Confident | 138 Ų | 138 | 73.7 Ų | 73.7 | 72% | 0.723 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.3 | -29.2 | 174.6 | -76.1 | 169.6 | 0 | 0 | 0 | 113.2 | T258 K260 | T258-L262 HydrophobicContact CG2-CD1 3.92Å; T258-L262 HydrophobicContact CG2-CG 4.4Å; T258-L262 WeakPolarHBondContact O-CB 3.37Å; T258-L262 VanDerWaalsContact O-CG 3.25Å; T258-L262 WeakPolarHBondContact O-CG 3.41Å; T258-L262 PolarHBondContact O-N 2.75Å; K260-L262 VanDerWaalsContact C-N 3.34Å; K260-L262 PolarHBondContact O-N 2.85Å |
| 263 | N | 84.2 | Confident | 78.9 | Confident | 141 Ų | 141 | 74.5 Ų | 74.5 | 75% | 0.754 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -4 | 176.8 | -67.4 | -52.3 | 0 | 0 | 0 | 113.1 | E259 K260 L261 | E259-N263 PolarHBondContact O-N 3.44Å; E259-N263 PolarHBondContact O-ND2 2.74Å; K260-N263 CarbonylContact O-C 3.52Å; K260-N263 PolarHBondContact O-N 3.06Å; K260-N263 VanDerWaalsContact O-N 3.16Å; L261-N263 PolarHBondContact O-N 2.74Å |
| 264 | T | 80.4 | Confident | 77.5 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 25% | 0.245 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -92.8 | 131.1 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 108.8 | K260 L261 W266 Q268 I269 | K260-T264 PolarHBondContact O-N 3.25Å; K260-T264 VanDerWaalsContact O-N 3.12Å; K260-T264 PolarHBondContact O-OG1 3.28Å; L261-T264 PolarHBondContact O-N 2.89Å; L261-T264 VanDerWaalsContact O-N 3.07Å; T264-W266 PolarHBondContact O-N 2.95Å; T264-Q268 HydrophobicContact CG2-CB 4.13Å; T264-I269 HydrophobicContact CG2-CD1 4.47Å; T264-I269 HydrophobicContact CG2-CG1 3.76Å |
| 265 | P | 80.4 | Confident | 76.4 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 42% | 0.416 | 42% | 0.421 | S | S | . | . | trans | -52 | 131.1 | 172.9 | -26.2 | 34.4 | 0 | 0 | 0 | 111.1 | E267 Q268 I269 | P265-E267 PolarHBondContact O-N 3.48Å; P265-E267 VanDerWaalsContact O-N 3.13Å; P265-Q268 HydrophobicContact CB-CG 4.34Å; P265-Q268 WeakPolarHBondContact O-CB 3.44Å; P265-Q268 PolarHBondContact O-N 2.72Å; P265-I269 PolarHBondContact O-N 3.07Å | ||
| 266 | W | 80.6 | Confident | 75.8 | Confident | 101 Ų | 101 | 76.3 Ų | 76.3 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -27.1 | -172.1 | 68.9 | -87.1 | 0 | 0 | 0 | 112.4 | T264 Q268 I269 Q270 Q368 D372 | T264-W266 PolarHBondContact O-N 2.95Å; W266-Q268 PolarHBondContact O-N 3.46Å; W266-I269 PolarHBondContact O-N 3.01Å; W266-Q270 HydrophobicContact CE3-CG 4.32Å; W266-Q270 PolarHBondContact O-N 3.28Å; W266-Q270 VanDerWaalsContact O-N 3.16Å; W266-Q368 HydrophobicContact CH2-CB 3.98Å; W266-Q368 HydrophobicContact CZ2-CB 4.41Å; W266-D372 HydrophobicContact CH2-CB 4.14Å |
| 267 | E | 78.4 | Confident | 75.7 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 9% | 0.093 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.5 | -33.1 | 176.4 | -59.6 | 85.9 | 170.1 | 0 | 0 | 112.2 | P265 S271 R278 C369 D371 D372 E375 | P265-E267 PolarHBondContact O-N 3.48Å; P265-E267 VanDerWaalsContact O-N 3.13Å; E267-S271 PolarHBondContact O-OG 3.38Å; E267-R278 PolarHBondContact O-NH1 3.25Å; E267-R278 PolarHBondContact O-NH2 2.69Å; E267-R278 VanDerWaalsContact O-NH2 3.15Å; E267-C369 PolarHBondContact OE1-SG 3.29Å; E267-D371 HydrophobicContact CG-CB 4Å; E267-D372 HydrophobicContact CG-CB 4.06Å; E267-E375 HydrophobicContact CB-CG 4.4Å |
| 268 | Q | 72.2 | Confident | 75.7 | Confident | 102 Ų | 102 | 75 Ų | 75 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -81 | -33.6 | 177.1 | -66.2 | 179.4 | -4.9 | 0 | 0 | 112 | T264 P265 W266 Q270 S271 | T264-Q268 HydrophobicContact CG2-CB 4.13Å; P265-Q268 HydrophobicContact CB-CG 4.34Å; P265-Q268 WeakPolarHBondContact O-CB 3.44Å; P265-Q268 PolarHBondContact O-N 2.72Å; W266-Q268 PolarHBondContact O-N 3.46Å; Q268-Q270 VanDerWaalsContact C-N 3.26Å; Q268-Q270 PolarHBondContact O-N 3.36Å; Q268-S271 WeakPolarHBondContact CA-OG 3.48Å; Q268-S271 WeakPolarHBondContact O-CB 3.21Å; Q268-S271 PolarHBondContact O-N 3.5Å; Q268-S271 PolarHBondContact O-OG 2.95Å |
| 269 | I | 74.7 | Confident | 75.8 | Confident | 76 Ų | 76 | 76.1 Ų | 76.1 | 39% | 0.39 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.2 | -34.2 | 175.7 | -56.3 | 173.1 | 0 | 0 | 0 | 110.6 | L261 T264 P265 W266 | L261-I269 HydrophobicContact CB-CD1 4.24Å; L261-I269 HydrophobicContact CD2-CD1 4.18Å; L261-I269 HydrophobicContact CD2-CG1 4.08Å; L261-I269 HydrophobicContact CD2-CG2 4.14Å; L261-I269 VanDerWaalsContact O-CD1 3.25Å; L261-I269 WeakPolarHBondContact O-CD1 3.35Å; T264-I269 HydrophobicContact CG2-CD1 4.47Å; T264-I269 HydrophobicContact CG2-CG1 3.76Å; P265-I269 PolarHBondContact O-N 3.07Å; W266-I269 PolarHBondContact O-N 3.01Å |
| 270 | Q | 71.2 | Confident | 75.9 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -72.9 | -25.9 | 175.3 | -75.2 | -172 | -1.4 | 0 | 0 | 113.5 | W266 Q268 T272 | W266-Q270 HydrophobicContact CE3-CG 4.32Å; W266-Q270 PolarHBondContact O-N 3.28Å; W266-Q270 VanDerWaalsContact O-N 3.16Å; Q268-Q270 VanDerWaalsContact C-N 3.26Å; Q268-Q270 PolarHBondContact O-N 3.36Å; Q270-T272 PolarHBondContact O-N 3.11Å |
| 271 | S | 64.4 | Low | 76.4 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -65.3 | 117.4 | 167.6 | -22.4 | 0 | 0 | 0 | 0 | 106.5 | E267 Q268 N273 R278 E375 | E267-S271 PolarHBondContact O-OG 3.38Å; Q268-S271 WeakPolarHBondContact CA-OG 3.48Å; Q268-S271 WeakPolarHBondContact O-CB 3.21Å; Q268-S271 PolarHBondContact O-N 3.5Å; Q268-S271 PolarHBondContact O-OG 2.95Å; S271-N273 PolarHBondContact O-N 3.42Å; S271-R278 PolarHBondContact OG-NH1 2.88Å; S271-E375 PolarHBondContact OG-OE2 3.06Å |
| 272 | T | 57.1 | Low | 76.9 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | trans | -57.3 | 140 | 168.9 | 51.9 | 0 | 0 | 0 | 0 | 107.7 | Q270 L274 T277 | Q270-T272 PolarHBondContact O-N 3.11Å; T272-L274 CarbonylContact O-C 3.6Å; T272-L274 PolarHBondContact O-N 3.21Å; T272-L274 PolarHBondContact OG1-O 2.68Å; T272-T277 PolarHBondContact OG1-O 2.87Å; T272-T277 PolarHBondContact OG1-OG1 3.13Å | ||
| 273 | N | 54.3 | Low | 77.3 | Confident | 113 Ų | 113 | 60.7 Ų | 60.7 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -55.2 | -14.8 | 175 | -76.3 | -40.9 | 0 | 0 | 0 | 112.9 | S271 A275 | S271-N273 PolarHBondContact O-N 3.42Å; N273-A275 PolarHBondContact O-N 3.06Å |
| 274 | L | 56.9 | Low | 77.7 | Confident | 111 Ų | 111 | 54.4 Ų | 54.4 | 58% | 0.581 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -73.5 | 107.1 | 159 | -84.1 | 79.2 | 0 | 0 | 0 | 109.6 | T272 D276 T277 | T272-L274 CarbonylContact O-C 3.6Å; T272-L274 PolarHBondContact O-N 3.21Å; T272-L274 PolarHBondContact OG1-O 2.68Å; L274-D276 PolarHBondContact O-N 3.07Å; L274-T277 PolarHBondContact O-N 3.45Å |
| 275 | A | 63.2 | Low | 78.2 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 61% | 0.612 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -0.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | N273 | N273-A275 PolarHBondContact O-N 3.06Š|
| 276 | D | 76.9 | Confident | 78.4 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -8.1 | -174.8 | -63.6 | -24.9 | 0 | 0 | 0 | 113.7 | L274 R303 N304 | L274-D276 PolarHBondContact O-N 3.07Å; D276-R303 HydrophobicContact CB-CB 4.21Å; D276-R303 WeakPolarHBondContact O-CB 3.16Å; D276-R303 PolarHBondContact O-N 3.38Å; D276-R303 IonicContact OD1-NH1 2.78Å; D276-N304 PolarHBondContact OD2-ND2 3.23Å |
| 277 | T | 83.2 | Confident | 78.4 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.5 | -179.3 | 44.3 | 0 | 0 | 0 | 0 | 112 | T272 L274 Y301 N302 | T272-T277 PolarHBondContact OG1-O 2.87Å; T272-T277 PolarHBondContact OG1-OG1 3.13Å; L274-T277 PolarHBondContact O-N 3.45Å; T277-Y301 VanDerWaalsContact CA-O 3.32Å; T277-Y301 WeakPolarHBondContact CA-O 3.39Å; T277-N302 HydrophobicContact CG2-CB 3.88Å; T277-N302 WeakPolarHBondContact CG2-ND2 3.26Å |
| 278 | R | 86.5 | Confident | 78.4 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 2% | 0.019 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142.4 | 172 | -172.8 | 171.4 | -176.9 | 77.2 | 3 | 109.7 | E267 S271 Y301 D372 E375 W376 V379 | E267-R278 PolarHBondContact O-NH1 3.25Å; E267-R278 PolarHBondContact O-NH2 2.69Å; E267-R278 VanDerWaalsContact O-NH2 3.15Å; S271-R278 PolarHBondContact OG-NH1 2.88Å; R278-Y301 PolarHBondContact N-O 3.36Å; R278-Y301 PolarHBondContact O-N 2.96Å; R278-D372 IonicContact CZ-OD1 3.73Å; R278-D372 IonicContact NE-OD1 2.69Å; R278-D372 IonicContact NH2-OD1 2.77Å; R278-D372 PolarHBondContact NH2-OD1 2.86Å; R278-E375 IonicContact NH1-OE2 2.93Å; R278-W376 HydrophobicContact CB-CH2 4.39Å; R278-W376 HydrophobicContact CB-CZ3 4.11Å; R278-W376 HydrophobicContact CG-CD2 4.49Å; R278-W376 HydrophobicContact CG-CE3 4.32Å; R278-W376 HydrophobicContact CG-CH2 4.07Å; R278-W376 HydrophobicContact CG-CZ2 4.24Å; R278-W376 HydrophobicContact CG-CZ3 4.11Å; R278-V379 HydrophobicContact CB-CB 4.35Å; R278-V379 HydrophobicContact CB-CG1 3.85Å; R278-V379 HydrophobicContact CB-CG2 4.21Å |
| 279 | E | 89.2 | Confident | 78.6 | Confident | 94 Ų | 94 | 63 Ų | 63 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.9 | 169.9 | 62.8 | 179 | -156.5 | 0 | 0 | 111.1 | F298 C299 T300 | E279-F298 HydrophobicContact CB-CE1 4.33Å; E279-F298 HydrophobicContact CB-CZ 3.88Å; E279-F298 HydrophobicContact CG-CZ 4.13Å; E279-C299 CarbonylContact C-O 3.49Å; E279-C299 WeakPolarHBondContact CA-O 3.31Å; E279-C299 WeakPolarHBondContact CB-O 3.48Å; E279-T300 HydrophobicContact CB-CG2 3.84Å |
| 280 | G | 89.7 | Confident | 78.6 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | 174.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | C299 | G280-C299 PolarHBondContact N-O 3.44Å; G280-C299 WeakPolarHBondContact O-CB 3.43Å; G280-C299 PolarHBondContact O-N 3.35Å |
| 281 | Y | 91.7 | Very high | 79.1 | Confident | 41 Ų | 41 | 69.9 Ų | 69.9 | 16% | 0.161 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.6 | 177.4 | -70.1 | -77.2 | 0 | 0 | 0 | 110.8 | K296 N297 F298 Y313 Q315 Q368 | Y281-K296 HydrophobicContact CD1-CD 4.21Å; Y281-K296 HydrophobicContact CD1-CG 4.01Å; Y281-N297 WeakPolarHBondContact CA-O 2.93Å; Y281-F298 HydrophobicContact CD1-CB 4.17Å; Y281-F298 HydrophobicContact CD1-CD2 4.11Å; Y281-F298 HydrophobicContact CD2-CD2 4.26Å; Y281-F298 HydrophobicContact CE1-CB 3.85Å; Y281-F298 AromaticContact CE1-CD2 3.82Å; Y281-F298 HydrophobicContact CE1-CD2 3.82Å; Y281-F298 HydrophobicContact CE1-CG 4.32Å; Y281-F298 AromaticContact CE2-CD2 3.95Å; Y281-F298 HydrophobicContact CE2-CD2 3.95Å; Y281-F298 HydrophobicContact CE2-CE2 4.39Å; Y281-F298 HydrophobicContact CG-CD2 4.34Å; Y281-F298 AromaticContact CZ-CD2 3.71Å; Y281-Y313 AromaticContact CE1-CD1 3.92Å; Y281-Y313 HydrophobicContact CE1-CD1 3.92Å; Y281-Y313 WeakPolarHBondContact OH-CD1 3.36Å; Y281-Y313 WeakPolarHBondContact OH-CE1 3.3Å; Y281-Q315 VanDerWaalsContact CZ-NE2 3.34Å; Y281-Q315 PolarHBondContact OH-NE2 2.9Å; Y281-Q368 PolarHBondContact O-NE2 3.11Å |
| 282 | V | 93.2 | Very high | 80.1 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.012 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 156.5 | 167.9 | -46.2 | 0 | 0 | 0 | 0 | 109.6 | V284 N297 C299 L365 Q366 W376 | V282-V284 HydrophobicContact CG2-CG2 4.23Å; V282-N297 PolarHBondContact N-O 3.29Å; V282-N297 PolarHBondContact O-N 3.4Å; V282-C299 HydrophobicContact CG2-CB 4.41Å; V282-C299 WeakPolarHBondContact CG2-SG 3.49Å; V282-L365 HydrophobicContact CG2-CB 4.47Å; V282-L365 HydrophobicContact CG2-CD2 4.11Å; V282-Q366 WeakPolarHBondContact CA-O 3.5Å; V282-W376 HydrophobicContact CG1-CD2 4.43Å; V282-W376 HydrophobicContact CG1-CZ2 3.72Å |
| 283 | F | 93.9 | Very high | 81.5 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 28% | 0.281 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 128.1 | 170.6 | -63 | -97.2 | 0 | 0 | 0 | 109.7 | W294 T295 K296 L365 Q366 | F283-W294 HydrophobicContact CB-CB 4.49Å; F283-W294 HydrophobicContact CB-CE3 3.77Å; F283-W294 HydrophobicContact CB-CZ3 4.45Å; F283-W294 WeakPolarHBondContact O-CZ3 3.35Å; F283-T295 CarbonylContact C-O 3.59Å; F283-T295 WeakPolarHBondContact CA-O 3.43Å; F283-K296 HydrophobicContact CD1-CB 4.03Å; F283-K296 HydrophobicContact CE1-CB 3.73Å; F283-K296 HydrophobicContact CE1-CD 4.47Å; F283-K296 HydrophobicContact CE1-CG 4.08Å; F283-K296 HydrophobicContact CZ-CB 4.36Å; F283-K296 HydrophobicContact CZ-CD 4.35Å; F283-K296 HydrophobicContact CZ-CG 4.2Å; F283-L365 CarbonylContact O-C 3.54Å; F283-L365 WeakPolarHBondContact O-CA 3.25Å; F283-Q366 HydrophobicContact CB-CB 4.2Å; F283-Q366 PolarHBondContact N-O 3.26Å; F283-Q366 PolarHBondContact O-N 3.49Å |
| 284 | V | 92.7 | Very high | 83.2 | Confident | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.055 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.6 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | V282 W294 T295 N297 L310 L363 L365 | V282-V284 HydrophobicContact CG2-CG2 4.23Å; V284-W294 WeakPolarHBondContact O-CA 3.35Å; V284-T295 PolarHBondContact N-O 3.42Å; V284-T295 PolarHBondContact O-N 3.3Å; V284-N297 HydrophobicContact CG2-CB 3.96Å; V284-N297 VanDerWaalsContact CG2-ND2 3.27Å; V284-N297 WeakPolarHBondContact CG2-ND2 3.38Å; V284-L310 HydrophobicContact CG2-CD1 4.07Å; V284-L310 HydrophobicContact CG2-CD2 4.19Å; V284-L363 HydrophobicContact CG1-CD1 3.72Å; V284-L363 HydrophobicContact CG1-CD2 3.85Å; V284-L363 HydrophobicContact CG1-CG 3.98Å; V284-L365 HydrophobicContact CB-CD2 4.06Å; V284-L365 HydrophobicContact CG1-CD2 4Å; V284-L365 HydrophobicContact CG2-CD2 3.59Å |
| 285 | A | 91.3 | Very high | 84.8 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 12% | 0.116 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 122.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T292 W294 T364 | A285-T292 HydrophobicContact CB-CG2 3.82Å; A285-W294 HydrophobicContact CB-CD2 4.14Å; A285-W294 HydrophobicContact CB-CE3 3.94Å; A285-W294 HydrophobicContact CB-CH2 3.69Å; A285-W294 HydrophobicContact CB-CZ2 3.83Å; A285-W294 HydrophobicContact CB-CZ3 3.72Å; A285-T364 WeakPolarHBondContact CB-O 3.42Å; A285-T364 PolarHBondContact N-O 3.07Å |
| 286 | T | 85.2 | Confident | 86.1 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 113.6 | 171.4 | -51.9 | 0 | 0 | 0 | 0 | 109.3 | K288 I293 | T286-K288 PolarHBondContact O-N 3.41Å; T286-I293 PolarHBondContact N-O 3.44Å; T286-I293 PolarHBondContact O-N 2.98Å |
| 287 | K | 81.2 | Confident | 86.8 | Confident | 178 Ų | 178 | 63.4 Ų | 63.4 | 77% | 0.774 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 113.5 | 177.2 | -68.3 | -175 | 179 | -178 | 0 | 109.9 | T292 | K287-T292 HydrophobicContact CG-CG2 4.5Å |
| 288 | K | 78.4 | Confident | 87.2 | Confident | 136 Ų | 136 | 64.5 Ų | 64.5 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | trans | -97.3 | 167.8 | 163.7 | -65.9 | -163.6 | -179.8 | 172.6 | 0 | 109.5 | T286 V290 M291 I293 | T286-K288 PolarHBondContact O-N 3.41Å; K288-V290 PolarHBondContact O-N 2.88Å; K288-M291 PolarHBondContact N-O 3.47Å; K288-M291 PolarHBondContact O-N 3.11Å; K288-I293 HydrophobicContact CD-CD1 3.54Å; K288-I293 HydrophobicContact CD-CG1 4.42Å; K288-I293 HydrophobicContact CG-CD1 4.14Å | ||
| 289 | A | 75.6 | Confident | 87.4 | Confident | 115 Ų | 115 | 64.3 Ų | 64.3 | 95% | 0.95 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -49.4 | -31.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 290 | V | 74.4 | Confident | 87.5 | Confident | 146 Ų | 146 | 62 Ų | 62 | 89% | 0.885 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -116.5 | -27.6 | -176.5 | -176.6 | 0 | 0 | 0 | 0 | 112.9 | K288 | K288-V290 PolarHBondContact O-N 2.88Š|
| 291 | M | 81.4 | Confident | 87.6 | Confident | 138 Ų | 138 | 62.2 Ų | 62.2 | 68% | 0.68 | 33% | 0.331 | S | S | * | . | trans | -147.1 | 147.9 | -169.7 | -167.4 | -177 | -74.2 | 0 | 0 | 111.7 | K288 | K288-M291 PolarHBondContact N-O 3.47Å; K288-M291 PolarHBondContact O-N 3.11Å | ||
| 292 | T | 85.2 | Confident | 87.5 | Confident | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 118.7 | 170.3 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | A285 K287 | A285-T292 HydrophobicContact CB-CG2 3.82Å; K287-T292 HydrophobicContact CG-CG2 4.5Å |
| 293 | I | 88.2 | Confident | 87.2 | Confident | 66 Ų | 66 | 67 Ų | 67 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.8 | 176 | -59.9 | -176.3 | 0 | 0 | 0 | 108.6 | T286 K288 T295 | T286-I293 PolarHBondContact N-O 3.44Å; T286-I293 PolarHBondContact O-N 2.98Å; K288-I293 HydrophobicContact CD-CD1 3.54Å; K288-I293 HydrophobicContact CD-CG1 4.42Å; K288-I293 HydrophobicContact CG-CD1 4.14Å; I293-T295 HydrophobicContact CG2-CG2 4.21Å |
| 294 | W | 89.4 | Confident | 86.8 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 19% | 0.186 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.5 | 176.4 | -68 | 86.2 | 0 | 0 | 0 | 109.7 | F283 V284 A285 I346 R348 T364 Q366 | F283-W294 HydrophobicContact CB-CB 4.49Å; F283-W294 HydrophobicContact CB-CE3 3.77Å; F283-W294 HydrophobicContact CB-CZ3 4.45Å; F283-W294 WeakPolarHBondContact O-CZ3 3.35Å; V284-W294 WeakPolarHBondContact O-CA 3.35Å; A285-W294 HydrophobicContact CB-CD2 4.14Å; A285-W294 HydrophobicContact CB-CE3 3.94Å; A285-W294 HydrophobicContact CB-CH2 3.69Å; A285-W294 HydrophobicContact CB-CZ2 3.83Å; A285-W294 HydrophobicContact CB-CZ3 3.72Å; W294-I346 HydrophobicContact CH2-CD1 4.07Å; W294-I346 HydrophobicContact CZ2-CD1 3.85Å; W294-R348 HydrophobicContact CZ2-CG 4.28Å; W294-T364 HydrophobicContact CH2-CG2 4.02Å; W294-Q366 HydrophobicContact CE3-CB 4.31Å; W294-Q366 HydrophobicContact CH2-CB 4.23Å; W294-Q366 HydrophobicContact CZ3-CB 3.64Å |
| 295 | T | 89.3 | Confident | 86.7 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.2 | 179.7 | 54 | 0 | 0 | 0 | 0 | 109.8 | F283 V284 I293 N297 | F283-T295 CarbonylContact C-O 3.59Å; F283-T295 WeakPolarHBondContact CA-O 3.43Å; V284-T295 PolarHBondContact N-O 3.42Å; V284-T295 PolarHBondContact O-N 3.3Å; I293-T295 HydrophobicContact CG2-CG2 4.21Å; T295-N297 PolarHBondContact O-N 2.98Å; T295-N297 PolarHBondContact O-ND2 2.94Å; T295-N297 PolarHBondContact OG1-ND2 2.89Å; T295-N297 VanDerWaalsContact OG1-ND2 3.07Å |
| 296 | K | 91 | Very high | 86.7 | Confident | 54 Ų | 54 | 76 Ų | 76 | 24% | 0.235 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 121.4 | 175.3 | -170.9 | -179.5 | 178.8 | -176.4 | 0 | 108.5 | Y281 F283 Y313 T314 | Y281-K296 HydrophobicContact CD1-CD 4.21Å; Y281-K296 HydrophobicContact CD1-CG 4.01Å; F283-K296 HydrophobicContact CD1-CB 4.03Å; F283-K296 HydrophobicContact CE1-CB 3.73Å; F283-K296 HydrophobicContact CE1-CD 4.47Å; F283-K296 HydrophobicContact CE1-CG 4.08Å; F283-K296 HydrophobicContact CZ-CB 4.36Å; F283-K296 HydrophobicContact CZ-CD 4.35Å; F283-K296 HydrophobicContact CZ-CG 4.2Å; K296-Y313 PolarHBondContact O-N 3.15Å; K296-T314 HydrophobicContact CB-CG2 4.48Å |
| 297 | N | 91.3 | Very high | 87 | Confident | 8 Ų | 8 | 75.8 Ų | 75.8 | 4% | 0.043 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.6 | 178.7 | -70.8 | -95.5 | 0 | 0 | 0 | 109.1 | Y281 V282 V284 T295 C299 T311 P312 | Y281-N297 WeakPolarHBondContact CA-O 2.93Å; V282-N297 PolarHBondContact N-O 3.29Å; V282-N297 PolarHBondContact O-N 3.4Å; V284-N297 HydrophobicContact CG2-CB 3.96Å; V284-N297 VanDerWaalsContact CG2-ND2 3.27Å; V284-N297 WeakPolarHBondContact CG2-ND2 3.38Å; T295-N297 PolarHBondContact O-N 2.98Å; T295-N297 PolarHBondContact O-ND2 2.94Å; T295-N297 PolarHBondContact OG1-ND2 2.89Å; T295-N297 VanDerWaalsContact OG1-ND2 3.07Å; N297-C299 PolarHBondContact O-SG 3.32Å; N297-C299 VanDerWaalsContact O-SG 3.41Å; N297-T311 CarbonylContact C-O 3.53Å; N297-T311 VanDerWaalsContact CA-O 3.31Å; N297-T311 WeakPolarHBondContact CA-O 3.45Å; N297-P312 VanDerWaalsContact OD1-CA 3.24Å; N297-P312 WeakPolarHBondContact OD1-CA 3.41Å; N297-P312 WeakPolarHBondContact OD1-CD 3.27Å; N297-P312 VanDerWaalsContact OD1-CG 3.31Å; N297-P312 WeakPolarHBondContact OD1-CG 3.47Å; N297-P312 VanDerWaalsContact OD1-N 3.09Å |
| 298 | F | 92 | Very high | 87.6 | Confident | 60 Ų | 60 | 67.4 Ų | 67.4 | 26% | 0.263 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127 | 163 | -171.7 | -102.7 | 0 | 0 | 0 | 108.5 | E279 Y281 T300 T311 | E279-F298 HydrophobicContact CB-CE1 4.33Å; E279-F298 HydrophobicContact CB-CZ 3.88Å; E279-F298 HydrophobicContact CG-CZ 4.13Å; Y281-F298 HydrophobicContact CD1-CB 4.17Å; Y281-F298 HydrophobicContact CD1-CD2 4.11Å; Y281-F298 HydrophobicContact CD2-CD2 4.26Å; Y281-F298 HydrophobicContact CE1-CB 3.85Å; Y281-F298 AromaticContact CE1-CD2 3.82Å; Y281-F298 HydrophobicContact CE1-CD2 3.82Å; Y281-F298 HydrophobicContact CE1-CG 4.32Å; Y281-F298 AromaticContact CE2-CD2 3.95Å; Y281-F298 HydrophobicContact CE2-CD2 3.95Å; Y281-F298 HydrophobicContact CE2-CE2 4.39Å; Y281-F298 HydrophobicContact CG-CD2 4.34Å; Y281-F298 AromaticContact CZ-CD2 3.71Å; F298-T300 HydrophobicContact CD1-CG2 4.36Å; F298-T300 HydrophobicContact CE1-CG2 3.79Å; F298-T311 PolarHBondContact N-O 2.72Å; F298-T311 PolarHBondContact O-N 3.07Å |
| 299 | C | 91.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.2 | -169.3 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | E279 G280 V282 N297 L308 K309 L310 W376 | E279-C299 CarbonylContact C-O 3.49Å; E279-C299 WeakPolarHBondContact CA-O 3.31Å; E279-C299 WeakPolarHBondContact CB-O 3.48Å; G280-C299 PolarHBondContact N-O 3.44Å; G280-C299 WeakPolarHBondContact O-CB 3.43Å; G280-C299 PolarHBondContact O-N 3.35Å; V282-C299 HydrophobicContact CG2-CB 4.41Å; V282-C299 WeakPolarHBondContact CG2-SG 3.49Å; N297-C299 PolarHBondContact O-SG 3.32Å; N297-C299 VanDerWaalsContact O-SG 3.41Å; C299-L308 HydrophobicContact CB-CD1 4.18Å; C299-K309 VanDerWaalsContact CA-O 3.25Å; C299-K309 WeakPolarHBondContact CA-O 3.43Å; C299-L310 HydrophobicContact CB-CD2 4.17Å; C299-L310 WeakPolarHBondContact SG-CD2 3.3Å; C299-W376 HydrophobicContact CB-CH2 3.95Å; C299-W376 HydrophobicContact CB-CZ2 4.3Å |
| 300 | T | 91 | Very high | 89.1 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 27% | 0.27 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.9 | 170.1 | 55.9 | 0 | 0 | 0 | 0 | 108.2 | E279 F298 L308 K309 | E279-T300 HydrophobicContact CB-CG2 3.84Å; F298-T300 HydrophobicContact CD1-CG2 4.36Å; F298-T300 HydrophobicContact CE1-CG2 3.79Å; T300-L308 CarbonylContact O-C 3.56Å; T300-L308 WeakPolarHBondContact O-CA 3.39Å; T300-K309 PolarHBondContact N-O 3.19Å; T300-K309 PolarHBondContact O-N 2.97Å; T300-K309 WeakPolarHBondContact OG1-CB 3.45Å |
| 301 | Y | 91.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.3 | 177.7 | -179.8 | -105.4 | 0 | 0 | 0 | 110.4 | T277 R278 R303 I307 L308 V335 V379 M380 | T277-Y301 VanDerWaalsContact CA-O 3.32Å; T277-Y301 WeakPolarHBondContact CA-O 3.39Å; R278-Y301 PolarHBondContact N-O 3.36Å; R278-Y301 PolarHBondContact O-N 2.96Å; Y301-R303 HydrophobicContact CE1-CB 4.02Å; Y301-I307 WeakPolarHBondContact CA-O 3.28Å; Y301-I307 WeakPolarHBondContact CD2-O 3.44Å; Y301-L308 HydrophobicContact CD2-CB 4.03Å; Y301-L308 HydrophobicContact CD2-CD1 4.36Å; Y301-V335 HydrophobicContact CD2-CG2 4.38Å; Y301-V335 HydrophobicContact CE2-CB 4.11Å; Y301-V335 HydrophobicContact CE2-CG2 4.01Å; Y301-V379 HydrophobicContact CD1-CG1 3.99Å; Y301-V379 HydrophobicContact CD1-CG2 4.07Å; Y301-V379 HydrophobicContact CE1-CG1 4.48Å; Y301-V379 HydrophobicContact CE1-CG2 4.37Å; Y301-V379 WeakPolarHBondContact CE1-O 3.33Å; Y301-M380 HydrophobicContact CD1-CE 4.22Å; Y301-M380 HydrophobicContact CD1-CG 3.81Å; Y301-M380 HydrophobicContact CD2-CE 3.76Å; Y301-M380 HydrophobicContact CD2-CG 4.37Å; Y301-M380 HydrophobicContact CE1-CB 4.32Å; Y301-M380 HydrophobicContact CE1-CG 3.65Å; Y301-M380 HydrophobicContact CE2-CE 4.35Å; Y301-M380 HydrophobicContact CE2-CG 4.23Å; Y301-M380 HydrophobicContact CG-CE 3.67Å; Y301-M380 HydrophobicContact CG-CG 4.16Å |
| 302 | N | 89.3 | Confident | 90.1 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 114.5 | 173.5 | 176.4 | -60 | 0 | 0 | 0 | 109.3 | T277 N304 S305 K306 I307 | T277-N302 HydrophobicContact CG2-CB 3.88Å; T277-N302 WeakPolarHBondContact CG2-ND2 3.26Å; N302-N304 VanDerWaalsContact C-N 3.35Å; N302-N304 PolarHBondContact O-N 2.94Å; N302-N304 WeakPolarHBondContact OD1-CB 3.35Å; N302-N304 PolarHBondContact OD1-N 3.19Å; N302-N304 VanDerWaalsContact OD1-N 3.11Å; N302-S305 WeakPolarHBondContact CB-OG 3.48Å; N302-S305 PolarHBondContact O-N 2.8Å; N302-S305 PolarHBondContact O-OG 3.27Å; N302-S305 PolarHBondContact OD1-N 2.69Å; N302-S305 PolarHBondContact OD1-OG 2.77Å; N302-S305 VanDerWaalsContact OD1-OG 3.08Å; N302-K306 VanDerWaalsContact O-CA 3.31Å; N302-K306 WeakPolarHBondContact O-CA 3.42Å; N302-K306 PolarHBondContact O-N 2.82Å; N302-I307 PolarHBondContact N-O 3.41Å; N302-I307 VanDerWaalsContact N-O 3.12Å; N302-I307 PolarHBondContact O-N 3.37Å |
| 303 | R | 85.8 | Confident | 90 | Very high | 86 Ų | 86 | 50.9 Ų | 50.9 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -40.7 | -177.1 | -172 | -179.1 | -175.2 | -163 | 6.3 | 112.7 | D276 Y301 S305 K306 V379 D381 | D276-R303 HydrophobicContact CB-CB 4.21Å; D276-R303 WeakPolarHBondContact O-CB 3.16Å; D276-R303 PolarHBondContact O-N 3.38Å; D276-R303 IonicContact OD1-NH1 2.78Å; Y301-R303 HydrophobicContact CE1-CB 4.02Å; R303-S305 VanDerWaalsContact C-N 3.31Å; R303-S305 PolarHBondContact O-N 2.74Å; R303-K306 WeakPolarHBondContact O-CG 3.45Å; R303-K306 PolarHBondContact O-N 2.85Å; R303-V379 WeakPolarHBondContact CG-O 3.37Å; R303-D381 IonicContact CZ-OD1 2.74Å; R303-D381 IonicContact CZ-OD2 3.11Å; R303-D381 IonicContact NE-OD1 3.95Å; R303-D381 IonicContact NE-OD2 3.32Å; R303-D381 PolarHBondContact NE-OD2 3.08Å; R303-D381 VanDerWaalsContact NE-OD2 3.15Å; R303-D381 IonicContact NH2-OD1 3.74Å; R303-D381 PolarHBondContact NH2-OD1 3.27Å; R303-D381 IonicContact NH2-OD2 2.78Å |
| 304 | N | 87.1 | Confident | 89.4 | Confident | 123 Ų | 123 | 50.1 Ų | 50.1 | 66% | 0.658 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -35.8 | -179 | -67.1 | -30.5 | 0 | 0 | 0 | 112.5 | D276 N302 | D276-N304 PolarHBondContact OD2-ND2 3.23Å; N302-N304 VanDerWaalsContact C-N 3.35Å; N302-N304 PolarHBondContact O-N 2.94Å; N302-N304 WeakPolarHBondContact OD1-CB 3.35Å; N302-N304 PolarHBondContact OD1-N 3.19Å; N302-N304 VanDerWaalsContact OD1-N 3.11Å |
| 305 | S | 89.6 | Confident | 88.8 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -14.5 | 176.8 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | N302 R303 I307 | N302-S305 WeakPolarHBondContact CB-OG 3.48Å; N302-S305 PolarHBondContact O-N 2.8Å; N302-S305 PolarHBondContact O-OG 3.27Å; N302-S305 PolarHBondContact OD1-N 2.69Å; N302-S305 PolarHBondContact OD1-OG 2.77Å; N302-S305 VanDerWaalsContact OD1-OG 3.08Å; R303-S305 VanDerWaalsContact C-N 3.31Å; R303-S305 PolarHBondContact O-N 2.74Å; S305-I307 PolarHBondContact O-N 3.42Å; S305-I307 PolarHBondContact OG-N 3.27Å |
| 306 | K | 91 | Very high | 87.8 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 27.7 | -168.5 | -56.6 | -172.3 | 176.5 | -171.7 | 0 | 114.1 | N302 R303 V335 | N302-K306 VanDerWaalsContact O-CA 3.31Å; N302-K306 WeakPolarHBondContact O-CA 3.42Å; N302-K306 PolarHBondContact O-N 2.82Å; R303-K306 WeakPolarHBondContact O-CG 3.45Å; R303-K306 PolarHBondContact O-N 2.85Å; K306-V335 PolarHBondContact O-N 2.78Å |
| 307 | I | 92.7 | Very high | 86.4 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.3 | -179.6 | -64.3 | 174 | 0 | 0 | 0 | 109.5 | Y301 N302 S305 K309 I332 L333 | Y301-I307 WeakPolarHBondContact CA-O 3.28Å; Y301-I307 WeakPolarHBondContact CD2-O 3.44Å; N302-I307 PolarHBondContact N-O 3.41Å; N302-I307 VanDerWaalsContact N-O 3.12Å; N302-I307 PolarHBondContact O-N 3.37Å; S305-I307 PolarHBondContact O-N 3.42Å; S305-I307 PolarHBondContact OG-N 3.27Å; I307-K309 HydrophobicContact CG2-CG 4.23Å; I307-I332 HydrophobicContact CG2-CG2 3.5Å; I307-L333 WeakPolarHBondContact CA-O 3.47Å |
| 308 | L | 93.7 | Very high | 84.5 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124 | 168.7 | -179.2 | 69.6 | 0 | 0 | 0 | 109.3 | C299 T300 Y301 L310 L333 V335 I354 L365 M380 | C299-L308 HydrophobicContact CB-CD1 4.18Å; T300-L308 CarbonylContact O-C 3.56Å; T300-L308 WeakPolarHBondContact O-CA 3.39Å; Y301-L308 HydrophobicContact CD2-CB 4.03Å; Y301-L308 HydrophobicContact CD2-CD1 4.36Å; L308-L310 HydrophobicContact CD1-CD2 4.47Å; L308-L310 HydrophobicContact CD2-CD2 3.87Å; L308-L310 HydrophobicContact CD2-CG 4.28Å; L308-L310 HydrophobicContact CG-CD2 4.02Å; L308-L310 HydrophobicContact CG-CG 4.34Å; L308-L333 HydrophobicContact CB-CB 4.36Å; L308-L333 PolarHBondContact N-O 3.21Å; L308-L333 PolarHBondContact O-N 3.46Å; L308-V335 HydrophobicContact CB-CG2 3.67Å; L308-V335 HydrophobicContact CD2-CG2 4.37Å; L308-I354 HydrophobicContact CD2-CD1 3.39Å; L308-L365 HydrophobicContact CD2-CD1 4.12Å; L308-M380 HydrophobicContact CD1-CE 3.78Å; L308-M380 HydrophobicContact CD2-CE 4.37Å |
| 309 | K | 93.2 | Very high | 82.7 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.4 | 170.7 | -52.1 | -179.5 | -178.6 | 170.8 | 0 | 109.3 | C299 T300 I307 T330 E331 I332 | C299-K309 VanDerWaalsContact CA-O 3.25Å; C299-K309 WeakPolarHBondContact CA-O 3.43Å; T300-K309 PolarHBondContact N-O 3.19Å; T300-K309 PolarHBondContact O-N 2.97Å; T300-K309 WeakPolarHBondContact OG1-CB 3.45Å; I307-K309 HydrophobicContact CG2-CG 4.23Å; K309-T330 HydrophobicContact CB-CG2 3.91Å; K309-E331 CarbonylContact C-O 3.52Å; K309-E331 WeakPolarHBondContact CA-O 3.29Å; K309-I332 HydrophobicContact CG-CG1 4.23Å; K309-I332 HydrophobicContact CG-CG2 4.49Å |
| 310 | L | 92 | Very high | 80.9 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.6 | 177.8 | -61.3 | 178.4 | 0 | 0 | 0 | 109.2 | V284 C299 L308 T330 E331 L333 L363 | V284-L310 HydrophobicContact CG2-CD1 4.07Å; V284-L310 HydrophobicContact CG2-CD2 4.19Å; C299-L310 HydrophobicContact CB-CD2 4.17Å; C299-L310 WeakPolarHBondContact SG-CD2 3.3Å; L308-L310 HydrophobicContact CD1-CD2 4.47Å; L308-L310 HydrophobicContact CD2-CD2 3.87Å; L308-L310 HydrophobicContact CD2-CG 4.28Å; L308-L310 HydrophobicContact CG-CD2 4.02Å; L308-L310 HydrophobicContact CG-CG 4.34Å; L310-T330 CarbonylContact O-C 3.16Å; L310-T330 VanDerWaalsContact O-CA 3.3Å; L310-T330 WeakPolarHBondContact O-CA 3.3Å; L310-E331 HydrophobicContact CB-CB 4.45Å; L310-E331 PolarHBondContact N-O 3.19Å; L310-E331 PolarHBondContact O-N 3.29Å; L310-L333 HydrophobicContact CD1-CD1 3.4Å; L310-L333 HydrophobicContact CD1-CG 4.45Å; L310-L333 HydrophobicContact CG-CD1 4.06Å; L310-L363 HydrophobicContact CD1-CD2 3.86Å |
| 311 | T | 90 | Very high | 79.1 | Confident | 23 Ų | 23 | 82.3 Ų | 82.3 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 112.2 | 177 | -52.6 | 0 | 0 | 0 | 0 | 109.6 | N297 F298 Y313 T330 | N297-T311 CarbonylContact C-O 3.53Å; N297-T311 VanDerWaalsContact CA-O 3.31Å; N297-T311 WeakPolarHBondContact CA-O 3.45Å; F298-T311 PolarHBondContact N-O 2.72Å; F298-T311 PolarHBondContact O-N 3.07Å; T311-Y313 PolarHBondContact O-N 2.93Å; T311-Y313 VanDerWaalsContact O-N 3.1Å; T311-T330 WeakPolarHBondContact CG2-OG1 3.49Å; T311-T330 WeakPolarHBondContact OG1-CG2 3.3Å; T311-T330 PolarHBondContact OG1-OG1 3.41Å |
| 312 | P | 86.8 | Confident | 77.1 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 116.4 | 175 | -20.3 | 30.2 | 0 | 0 | 0 | 109.9 | N297 N329 | N297-P312 VanDerWaalsContact OD1-CA 3.24Å; N297-P312 WeakPolarHBondContact OD1-CA 3.41Å; N297-P312 WeakPolarHBondContact OD1-CD 3.27Å; N297-P312 VanDerWaalsContact OD1-CG 3.31Å; N297-P312 WeakPolarHBondContact OD1-CG 3.47Å; N297-P312 VanDerWaalsContact OD1-N 3.09Å; P312-N329 WeakPolarHBondContact CD-O 3.17Å; P312-N329 HydrophobicContact CG-CB 4.49Å |
| 313 | Y | 82.4 | Confident | 75.1 | Confident | 69 Ų | 69 | 88 Ų | 88 | 27% | 0.271 | 43% | 0.433 | S | S | . | . | trans | -147.4 | 136 | -176.3 | -177.4 | -105.1 | 0 | 0 | 0 | 111.9 | Y281 K296 T311 Q315 | Y281-Y313 AromaticContact CE1-CD1 3.92Å; Y281-Y313 HydrophobicContact CE1-CD1 3.92Å; Y281-Y313 WeakPolarHBondContact OH-CD1 3.36Å; Y281-Y313 WeakPolarHBondContact OH-CE1 3.3Å; K296-Y313 PolarHBondContact O-N 3.15Å; T311-Y313 PolarHBondContact O-N 2.93Å; T311-Y313 VanDerWaalsContact O-N 3.1Å; Y313-Q315 HydrophobicContact CE1-CG 4.21Å | ||
| 314 | T | 75.2 | Confident | 73.4 | Confident | 51 Ų | 51 | 87.1 Ų | 87.1 | 31% | 0.313 | 44% | 0.441 | S | S | . | . | trans | -138 | 130.2 | 175.1 | 51.4 | 0 | 0 | 0 | 0 | 109.6 | K296 Y316 Q317 | K296-T314 HydrophobicContact CB-CG2 4.48Å; T314-Y316 PolarHBondContact O-N 3.25Å; T314-Y316 VanDerWaalsContact O-N 3.09Å; T314-Q317 PolarHBondContact O-N 3.45Å; T314-Q317 WeakPolarHBondContact OG1-CG 3.36Å | ||
| 315 | Q | 78 | Confident | 71.6 | Confident | 76 Ų | 76 | 86.8 Ų | 86.8 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.5 | -171.4 | -72.4 | 81.3 | -7.2 | 0 | 0 | 114.8 | Y281 Y313 | Y281-Q315 VanDerWaalsContact CZ-NE2 3.34Å; Y281-Q315 PolarHBondContact OH-NE2 2.9Å; Y313-Q315 HydrophobicContact CE1-CG 4.21Å |
| 316 | Y | 69 | Low | 69.9 | Low | 227 Ų | 227 | 86.1 Ų | 86.1 | 89% | 0.89 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.4 | -175.2 | -58.1 | -75.7 | 0 | 0 | 0 | 114.4 | T314 D318 | T314-Y316 PolarHBondContact O-N 3.25Å; T314-Y316 VanDerWaalsContact O-N 3.09Å; Y316-D318 VanDerWaalsContact C-N 3.29Å; Y316-D318 PolarHBondContact O-N 2.99Å |
| 317 | Q | 60.5 | Low | 68.4 | Low | 139 Ų | 139 | 87.4 Ų | 87.4 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | trans | -90.8 | 19.1 | -179.1 | -74.1 | -172.3 | -2.5 | 0 | 0 | 113.8 | T314 N319 T322 | T314-Q317 PolarHBondContact O-N 3.45Å; T314-Q317 WeakPolarHBondContact OG1-CG 3.36Å; Q317-N319 PolarHBondContact O-N 3.01Å; Q317-T322 PolarHBondContact O-OG1 3.35Å; Q317-T322 VanDerWaalsContact O-OG1 3.06Å | ||
| 318 | D | 51.1 | Low | 67 | Low | 91 Ų | 91 | 91.6 Ų | 91.6 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | trans | -74.2 | 46 | 176.8 | -85.4 | -20.3 | 0 | 0 | 0 | 113.4 | Y316 | Y316-D318 VanDerWaalsContact C-N 3.29Å; Y316-D318 PolarHBondContact O-N 2.99Å | ||
| 319 | N | 54.3 | Low | 65.9 | Low | 138 Ų | 138 | 96.6 Ų | 96.6 | 74% | 0.738 | 48% | 0.484 | S | S | * | . | trans | -77.3 | 124.7 | 157.6 | -85.3 | -12.9 | 0 | 0 | 0 | 107.4 | Q317 N321 T322 | Q317-N319 PolarHBondContact O-N 3.01Å; N319-N321 PolarHBondContact O-N 2.94Å; N319-T322 PolarHBondContact O-N 2.98Å; N319-T322 PolarHBondContact O-OG1 3.07Å | ||
| 320 | D | 54.8 | Low | 65.5 | Low | 121 Ų | 121 | 93.9 Ų | 93.9 | 65% | 0.647 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -14.7 | -164.7 | -88.4 | -44.3 | 0 | 0 | 0 | 117.7 | K323 | D320-K323 IonicContact OD1-NZ 3.5Å; D320-K323 PolarHBondContact OD1-NZ 3.16Å |
| 321 | N | 52.8 | Low | 65.3 | Low | 152 Ų | 152 | 97.6 Ų | 97.6 | 81% | 0.813 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.3 | 179.4 | -67.5 | -18.5 | 0 | 0 | 0 | 114.8 | N319 | N319-N321 PolarHBondContact O-N 2.94Š|
| 322 | T | 49 | Very low | 65.4 | Low | 61 Ų | 61 | 101.8 Ų | 101.8 | 37% | 0.374 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -100 | -4.9 | -176 | 29 | 0 | 0 | 0 | 0 | 115.6 | Q317 N319 S324 H325 S326 | Q317-T322 PolarHBondContact O-OG1 3.35Å; Q317-T322 VanDerWaalsContact O-OG1 3.06Å; N319-T322 PolarHBondContact O-N 2.98Å; N319-T322 PolarHBondContact O-OG1 3.07Å; T322-S324 VanDerWaalsContact C-N 3.26Å; T322-S324 PolarHBondContact O-N 2.86Å; T322-H325 PolarHBondContact O-N 2.93Å; T322-S326 PolarHBondContact O-N 3.14Å |
| 323 | K | 49.3 | Very low | 65.6 | Low | 121 Ų | 121 | 99.7 Ų | 99.7 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.4 | -39.1 | 177.9 | -76.2 | 173.6 | 176.7 | 156.2 | 0 | 113.1 | D320 | D320-K323 IonicContact OD1-NZ 3.5Å; D320-K323 PolarHBondContact OD1-NZ 3.16Å |
| 324 | S | 48.5 | Very low | 66.1 | Low | 69 Ų | 69 | 100.1 Ų | 100.1 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.8 | -26.6 | 177.9 | -176.6 | 0 | 0 | 0 | 0 | 113.3 | T322 K328 | T322-S324 VanDerWaalsContact C-N 3.26Å; T322-S324 PolarHBondContact O-N 2.86Å; S324-K328 WeakPolarHBondContact O-CD 3.2Å; S324-K328 VanDerWaalsContact O-CG 3.26Å; S324-K328 WeakPolarHBondContact O-CG 3.25Å |
| 325 | H | 49.6 | Very low | 66.9 | Low | 115 Ų | 115 | 97.9 Ų | 97.9 | 53% | 0.532 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -86.2 | -31.9 | -174.9 | -87.8 | -58.9 | 0 | 0 | 0 | 113.8 | T322 | T322-H325 PolarHBondContact O-N 2.93Å |
| 326 | S | 55 | Low | 67.5 | Low | 40 Ų | 40 | 98.9 Ų | 98.9 | 28% | 0.28 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -44.4 | -179.7 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | T322 K328 N329 | T322-S326 PolarHBondContact O-N 3.14Å; S326-K328 VanDerWaalsContact C-N 3.32Å; S326-K328 PolarHBondContact O-N 3.16Å; S326-N329 PolarHBondContact O-N 3.1Å |
| 327 | L | 58.5 | Low | 68.6 | Low | 127 Ų | 127 | 89.9 Ų | 89.9 | 67% | 0.665 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -69.5 | -27.9 | 179.1 | -167.1 | 65.9 | 0 | 0 | 0 | 112.8 | N329 T330 | L327-N329 PolarHBondContact O-N 3.39Å; L327-T330 PolarHBondContact O-N 3.47Å; L327-T330 PolarHBondContact O-OG1 2.94Å; L327-T330 VanDerWaalsContact O-OG1 3.09Å |
| 328 | K | 62.9 | Low | 70.1 | Confident | 150 Ų | 150 | 83.5 Ų | 83.5 | 65% | 0.652 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69 | -20.1 | 175.2 | -80.2 | 178.9 | -177.3 | 176.7 | 0 | 113.5 | S324 S326 T330 | S324-K328 WeakPolarHBondContact O-CD 3.2Å; S324-K328 VanDerWaalsContact O-CG 3.26Å; S324-K328 WeakPolarHBondContact O-CG 3.25Å; S326-K328 VanDerWaalsContact C-N 3.32Å; S326-K328 PolarHBondContact O-N 3.16Å; K328-T330 VanDerWaalsContact C-N 3.35Å |
| 329 | N | 72 | Confident | 72 | Confident | 105 Ų | 105 | 85.6 Ų | 85.6 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 15.6 | -179.4 | -70.2 | -9.2 | 0 | 0 | 0 | 113 | P312 S326 L327 E331 | P312-N329 WeakPolarHBondContact CD-O 3.17Å; P312-N329 HydrophobicContact CG-CB 4.49Å; S326-N329 PolarHBondContact O-N 3.1Å; L327-N329 PolarHBondContact O-N 3.39Å; N329-E331 PolarHBondContact O-N 3.01Å |
| 330 | T | 84.9 | Confident | 73.7 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 24% | 0.239 | 42% | 0.416 | C | S | . | . | trans | -66.6 | 115.5 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | K309 L310 T311 L327 K328 | K309-T330 HydrophobicContact CB-CG2 3.91Å; L310-T330 CarbonylContact O-C 3.16Å; L310-T330 VanDerWaalsContact O-CA 3.3Å; L310-T330 WeakPolarHBondContact O-CA 3.3Å; T311-T330 WeakPolarHBondContact CG2-OG1 3.49Å; T311-T330 WeakPolarHBondContact OG1-CG2 3.3Å; T311-T330 PolarHBondContact OG1-OG1 3.41Å; L327-T330 PolarHBondContact O-N 3.47Å; L327-T330 PolarHBondContact O-OG1 2.94Å; L327-T330 VanDerWaalsContact O-OG1 3.09Å; K328-T330 VanDerWaalsContact C-N 3.35Å | ||
| 331 | E | 87.8 | Confident | 75.3 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 38% | 0.383 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 128.5 | 174.3 | -170.9 | 175.1 | -156.4 | 0 | 0 | 109.9 | K309 L310 N329 L333 R359 | K309-E331 CarbonylContact C-O 3.52Å; K309-E331 WeakPolarHBondContact CA-O 3.29Å; L310-E331 HydrophobicContact CB-CB 4.45Å; L310-E331 PolarHBondContact N-O 3.19Å; L310-E331 PolarHBondContact O-N 3.29Å; N329-E331 PolarHBondContact O-N 3.01Å; E331-L333 HydrophobicContact CG-CD2 3.72Å; E331-L333 HydrophobicContact CG-CG 4.13Å; E331-R359 IonicContact OE1-CZ 3.29Å; E331-R359 IonicContact OE1-NH2 3.82Å; E331-R359 PolarHBondContact OE1-NH2 3.43Å; E331-R359 IonicContact OE2-CZ 3.92Å; E331-R359 IonicContact OE2-NH2 3.7Å; E331-R359 PolarHBondContact OE2-NH2 2.93Å |
| 332 | I | 90.7 | Very high | 76.4 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 57% | 0.569 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.7 | 179 | -54.2 | -179.2 | 0 | 0 | 0 | 109 | I307 K309 | I307-I332 HydrophobicContact CG2-CG2 3.5Å; K309-I332 HydrophobicContact CG-CG1 4.23Å; K309-I332 HydrophobicContact CG-CG2 4.49Å |
| 333 | L | 91.4 | Very high | 77.7 | Confident | 9 Ų | 9 | 75.6 Ų | 75.6 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.3 | -172.7 | -60.8 | -179.6 | 0 | 0 | 0 | 110 | I307 L308 L310 E331 V356 L363 | I307-L333 WeakPolarHBondContact CA-O 3.47Å; L308-L333 HydrophobicContact CB-CB 4.36Å; L308-L333 PolarHBondContact N-O 3.21Å; L308-L333 PolarHBondContact O-N 3.46Å; L310-L333 HydrophobicContact CD1-CD1 3.4Å; L310-L333 HydrophobicContact CD1-CG 4.45Å; L310-L333 HydrophobicContact CG-CD1 4.06Å; E331-L333 HydrophobicContact CG-CD2 3.72Å; E331-L333 HydrophobicContact CG-CG 4.13Å; L333-V356 HydrophobicContact CB-CG1 3.63Å; L333-V356 HydrophobicContact CB-CG2 4.28Å; L333-V356 HydrophobicContact CD1-CG2 4.28Å; L333-V356 HydrophobicContact CD2-CG1 3.89Å; L333-V356 HydrophobicContact CG-CG1 4.22Å; L333-L363 HydrophobicContact CD1-CD2 3.89Å |
| 334 | N | 92.6 | Very high | 78.9 | Confident | 79 Ų | 79 | 77.3 Ų | 77.3 | 42% | 0.422 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 106.6 | 173.7 | -178.7 | -6.8 | 0 | 0 | 0 | 109.6 | V356 S357 | N334-V356 WeakPolarHBondContact O-CA 3.45Å; N334-V356 WeakPolarHBondContact O-CG1 3.47Å; N334-S357 PolarHBondContact O-N 3.37Å; N334-S357 PolarHBondContact O-OG 2.96Å |
| 335 | V | 92.7 | Very high | 80.5 | Confident | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.8 | -172.7 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | Y301 K306 L308 I354 | Y301-V335 HydrophobicContact CD2-CG2 4.38Å; Y301-V335 HydrophobicContact CE2-CB 4.11Å; Y301-V335 HydrophobicContact CE2-CG2 4.01Å; K306-V335 PolarHBondContact O-N 2.78Å; L308-V335 HydrophobicContact CB-CG2 3.67Å; L308-V335 HydrophobicContact CD2-CG2 4.37Å; V335-I354 HydrophobicContact CG1-CB 4.23Å; V335-I354 HydrophobicContact CG1-CG2 4.32Å; V335-I354 HydrophobicContact CG2-CD1 4.26Å |
| 336 | I | 91 | Very high | 82.1 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -48.9 | 177.5 | -61.4 | 173.3 | 0 | 0 | 0 | 110.1 | E355 | I336-E355 HydrophobicContact CB-CB 4.2Å; I336-E355 PolarHBondContact N-O 3.48Å |
| 337 | S | 90.9 | Very high | 83.4 | Confident | 38 Ų | 38 | 79.5 Ų | 79.5 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 154.4 | -177.9 | 77.7 | 0 | 0 | 0 | 0 | 110.9 | I354 E355 | S337-I354 CarbonylContact O-C 3.54Å; S337-I354 VanDerWaalsContact O-CA 3.31Å; S337-I354 WeakPolarHBondContact O-CA 3.26Å; S337-E355 PolarHBondContact O-N 2.92Å; S337-E355 WeakPolarHBondContact OG-CB 3.36Å; S337-E355 WeakPolarHBondContact OG-CG 3.31Å; S337-E355 PolarHBondContact OG-OE2 3Å |
| 338 | C | 92.9 | Very high | 84.8 | Confident | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.034 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.3 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 109 | D353 I354 M380 G382 K383 | C338-D353 CarbonylContact C-O 3.55Å; C338-D353 WeakPolarHBondContact CA-O 3.49Å; C338-I354 HydrophobicContact CB-CG2 4.2Å; C338-M380 HydrophobicContact CB-CB 3.62Å; C338-M380 HydrophobicContact CB-SD 4.28Å; C338-G382 VanDerWaalsContact O-CA 3.23Å; C338-G382 WeakPolarHBondContact O-CA 3.24Å; C338-K383 PolarHBondContact O-N 3.23Å; C338-K383 VanDerWaalsContact O-N 3.09Å |
| 339 | R | 90.9 | Very high | 86 | Confident | 136 Ų | 136 | 78.9 Ų | 78.9 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 139.3 | 178.7 | 61.1 | -171.2 | -65.6 | -126.8 | 0.2 | 111 | R341 F352 D353 | R339-R341 PolarHBondContact O-N 3.44Å; R339-F352 CarbonylContact O-C 3.56Å; R339-F352 WeakPolarHBondContact O-CA 3.13Å; R339-F352 WeakPolarHBondContact O-CB 3.26Å; R339-D353 HydrophobicContact CG-CB 3.93Å; R339-D353 PolarHBondContact N-O 3.17Å; R339-D353 PolarHBondContact O-N 3.49Å |
| 340 | R | 89.9 | Confident | 86.9 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 20% | 0.204 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134.7 | 172.7 | -174.8 | 175.5 | 175.7 | -176.6 | 0 | 109.7 | L373 L377 K383 P385 | R340-L373 HydrophobicContact CG-CD2 4.04Å; R340-L377 HydrophobicContact CB-CD1 3.91Å; R340-L377 HydrophobicContact CB-CD2 4.27Å; R340-L377 HydrophobicContact CG-CD1 4.38Å; R340-K383 PolarHBondContact N-O 2.85Å; R340-P385 HydrophobicContact CB-CG 4.48Å |
| 341 | R | 87.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 75.5 Ų | 75.5 | 20% | 0.204 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 136.2 | 176.9 | -178.8 | 173.3 | -83.1 | -87.2 | 1.4 | 109.1 | R339 S345 I346 C351 D353 T364 | R339-R341 PolarHBondContact O-N 3.44Å; R341-S345 WeakPolarHBondContact CG-OG 3.44Å; R341-I346 VanDerWaalsContact CD-CG2 3.45Å; R341-I346 HydrophobicContact CG-CG2 3.86Å; R341-C351 HydrophobicContact CB-CB 4.1Å; R341-C351 WeakPolarHBondContact CB-O 3.37Å; R341-C351 PolarHBondContact N-O 3.42Å; R341-D353 IonicContact CZ-OD1 2.78Å; R341-D353 IonicContact CZ-OD2 2.8Å; R341-D353 IonicContact NE-OD1 3.2Å; R341-D353 PolarHBondContact NE-OD1 3Å; R341-D353 IonicContact NE-OD2 3.03Å; R341-D353 PolarHBondContact NE-OD2 3.31Å; R341-D353 IonicContact NH2-OD1 2.88Å; R341-D353 PolarHBondContact NH2-OD1 3.48Å; R341-D353 IonicContact NH2-OD2 2.8Å; R341-D353 PolarHBondContact NH2-OD2 3.46Å; R341-T364 PolarHBondContact NE-OG1 3.31Å; R341-T364 PolarHBondContact NH2-OG1 2.93Å |
| 342 | S | 77.8 | Confident | 87.6 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 142.9 | 178 | 62.4 | 0 | 0 | 0 | 0 | 111 | D344 S345 | S342-D344 PolarHBondContact O-N 3.27Å; S342-S345 PolarHBondContact O-N 3.21Å; S342-S345 VanDerWaalsContact O-N 3.09Å; S342-S345 PolarHBondContact O-OG 3.48Å; S342-S345 WeakPolarHBondContact OG-CB 3.42Å; S342-S345 PolarHBondContact OG-OG 3.4Å |
| 343 | N | 75.8 | Confident | 87.7 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -61 | -28.2 | 178.2 | -67.5 | -12.5 | 0 | 0 | 0 | 112.1 | S345 | N343-S345 PolarHBondContact O-N 3.48Š|
| 344 | D | 75 | Confident | 87.9 | Confident | 157 Ų | 157 | 66.1 Ų | 66.1 | 84% | 0.84 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -72.5 | -18.4 | 179.3 | -51.2 | -41.6 | 0 | 0 | 0 | 113 | S342 | S342-D344 PolarHBondContact O-N 3.27Š|
| 345 | S | 81.5 | Confident | 87.9 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -92.4 | -13.8 | -176.9 | 73.8 | 0 | 0 | 0 | 0 | 114.1 | R341 S342 N343 | R341-S345 WeakPolarHBondContact CG-OG 3.44Å; S342-S345 PolarHBondContact O-N 3.21Å; S342-S345 VanDerWaalsContact O-N 3.09Å; S342-S345 PolarHBondContact O-OG 3.48Å; S342-S345 WeakPolarHBondContact OG-CB 3.42Å; S342-S345 PolarHBondContact OG-OG 3.4Å; N343-S345 PolarHBondContact O-N 3.48Å |
| 346 | I | 82.7 | Confident | 87.8 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 20% | 0.195 | 32% | 0.322 | C | S | . | . | trans | -153.1 | 133.2 | -176.1 | -166.1 | 167.6 | 0 | 0 | 0 | 110.8 | W294 R341 R348 C351 T364 | W294-I346 HydrophobicContact CH2-CD1 4.07Å; W294-I346 HydrophobicContact CZ2-CD1 3.85Å; R341-I346 VanDerWaalsContact CD-CG2 3.45Å; R341-I346 HydrophobicContact CG-CG2 3.86Å; I346-R348 HydrophobicContact CG1-CB 4.4Å; I346-R348 PolarHBondContact O-N 3.3Å; I346-C351 HydrophobicContact CG2-CB 4.16Å; I346-T364 HydrophobicContact CD1-CG2 3.98Å | ||
| 347 | D | 82.7 | Confident | 87.6 | Confident | 170 Ų | 170 | 64 Ų | 64 | 91% | 0.909 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -79.6 | 53.6 | 174.5 | -170.7 | 22.3 | 0 | 0 | 0 | 111.6 | ||
| 348 | R | 86.6 | Confident | 87.3 | Confident | 99 Ų | 99 | 74.5 Ų | 74.5 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -151 | 143.1 | 171 | -80.3 | -147.5 | 175.5 | -152.1 | -3.7 | 110.5 | W294 I346 Q366 | W294-R348 HydrophobicContact CZ2-CG 4.28Å; I346-R348 HydrophobicContact CG1-CB 4.4Å; I346-R348 PolarHBondContact O-N 3.3Å; R348-Q366 VanDerWaalsContact CD-OE1 3.27Å |
| 349 | R | 89 | Confident | 87 | Confident | 164 Ų | 164 | 79 Ų | 79 | 62% | 0.619 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -87.8 | 153.2 | 178.6 | -61.4 | -178.9 | -65.5 | -173.3 | -0.1 | 111.2 | C351 Q366 | R349-C351 VanDerWaalsContact C-N 3.3Å; R349-C351 PolarHBondContact O-N 2.86Å; R349-Q366 WeakPolarHBondContact O-CG 3.46Å; R349-Q366 PolarHBondContact O-NE2 3.09Å |
| 350 | W | 90.1 | Very high | 86.6 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 27% | 0.269 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 64 | 32.4 | 173.5 | -39.9 | -56.9 | 0 | 0 | 0 | 114.3 | A367 Q368 L370 L373 | W350-A367 HydrophobicContact CB-CB 4.3Å; W350-A367 PolarHBondContact O-N 2.77Å; W350-Q368 WeakPolarHBondContact CZ3-O 3.37Å; W350-L370 VanDerWaalsContact CD1-CA 3.42Å; W350-L373 HydrophobicContact CB-CB 4.21Å; W350-L373 HydrophobicContact CB-CD2 4.35Å |
| 351 | C | 93.5 | Very high | 86.5 | Confident | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.014 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 144.5 | 178.2 | -64.9 | 0 | 0 | 0 | 0 | 112 | R341 I346 R349 T364 L365 | R341-C351 HydrophobicContact CB-CB 4.1Å; R341-C351 WeakPolarHBondContact CB-O 3.37Å; R341-C351 PolarHBondContact N-O 3.42Å; I346-C351 HydrophobicContact CG2-CB 4.16Å; R349-C351 VanDerWaalsContact C-N 3.3Å; R349-C351 PolarHBondContact O-N 2.86Å; C351-T364 HydrophobicContact CB-CG2 4.2Å; C351-L365 CarbonylContact C-O 3.54Å; C351-L365 WeakPolarHBondContact CA-O 3.46Å |
| 352 | F | 94.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 152.1 | 172.4 | 60.5 | -77.3 | 0 | 0 | 0 | 109.6 | R339 I354 L365 A367 L373 W376 L377 M380 | R339-F352 CarbonylContact O-C 3.56Å; R339-F352 WeakPolarHBondContact O-CA 3.13Å; R339-F352 WeakPolarHBondContact O-CB 3.26Å; F352-I354 HydrophobicContact CD2-CG2 4.05Å; F352-I354 HydrophobicContact CE2-CG2 4.11Å; F352-L365 HydrophobicContact CD1-CB 4.11Å; F352-L365 HydrophobicContact CD2-CB 4.16Å; F352-L365 HydrophobicContact CD2-CD1 4.38Å; F352-L365 HydrophobicContact CE1-CB 3.7Å; F352-L365 HydrophobicContact CE2-CB 3.77Å; F352-L365 HydrophobicContact CE2-CD1 3.55Å; F352-L365 HydrophobicContact CE2-CG 4.2Å; F352-L365 HydrophobicContact CG-CB 4.35Å; F352-L365 HydrophobicContact CZ-CB 3.52Å; F352-L365 HydrophobicContact CZ-CD1 3.77Å; F352-L365 HydrophobicContact CZ-CG 4.28Å; F352-L365 PolarHBondContact N-O 2.95Å; F352-L365 PolarHBondContact O-N 3.1Å; F352-A367 HydrophobicContact CE1-CB 4.25Å; F352-L373 HydrophobicContact CB-CD1 3.8Å; F352-L373 HydrophobicContact CD1-CD1 3.52Å; F352-L373 HydrophobicContact CE1-CD1 4.39Å; F352-L373 HydrophobicContact CG-CD1 3.96Å; F352-W376 HydrophobicContact CE1-CB 4.26Å; F352-W376 HydrophobicContact CE1-CG 4.32Å; F352-W376 HydrophobicContact CE2-CB 4.4Å; F352-W376 HydrophobicContact CZ-CB 3.97Å; F352-W376 HydrophobicContact CZ-CD2 4.36Å; F352-W376 AromaticContact CZ-CG 3.96Å; F352-W376 HydrophobicContact CZ-CG 3.96Å; F352-L377 HydrophobicContact CB-CD2 4.26Å; F352-M380 HydrophobicContact CE2-SD 4.19Å |
| 353 | D | 93.7 | Very high | 87.3 | Confident | 5 Ų | 5 | 79.1 Ų | 79.1 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.2 | 177.8 | -67.2 | -43.5 | 0 | 0 | 0 | 109.9 | C338 R339 R341 P362 L363 T364 | C338-D353 CarbonylContact C-O 3.55Å; C338-D353 WeakPolarHBondContact CA-O 3.49Å; R339-D353 HydrophobicContact CG-CB 3.93Å; R339-D353 PolarHBondContact N-O 3.17Å; R339-D353 PolarHBondContact O-N 3.49Å; R341-D353 IonicContact CZ-OD1 2.78Å; R341-D353 IonicContact CZ-OD2 2.8Å; R341-D353 IonicContact NE-OD1 3.2Å; R341-D353 PolarHBondContact NE-OD1 3Å; R341-D353 IonicContact NE-OD2 3.03Å; R341-D353 PolarHBondContact NE-OD2 3.31Å; R341-D353 IonicContact NH2-OD1 2.88Å; R341-D353 PolarHBondContact NH2-OD1 3.48Å; R341-D353 IonicContact NH2-OD2 2.8Å; R341-D353 PolarHBondContact NH2-OD2 3.46Å; D353-P362 HydrophobicContact CB-CB 4.21Å; D353-L363 WeakPolarHBondContact CA-O 3.14Å; D353-T364 WeakPolarHBondContact OD1-CA 3.3Å; D353-T364 WeakPolarHBondContact OD1-CB 3.41Å; D353-T364 PolarHBondContact OD1-OG1 3.02Å |
| 354 | I | 94.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.4 | 168.8 | 61.2 | 169.4 | 0 | 0 | 0 | 110.2 | L308 V335 S337 C338 F352 V356 P362 L363 L365 M380 | L308-I354 HydrophobicContact CD2-CD1 3.39Å; V335-I354 HydrophobicContact CG1-CB 4.23Å; V335-I354 HydrophobicContact CG1-CG2 4.32Å; V335-I354 HydrophobicContact CG2-CD1 4.26Å; S337-I354 CarbonylContact O-C 3.54Å; S337-I354 VanDerWaalsContact O-CA 3.31Å; S337-I354 WeakPolarHBondContact O-CA 3.26Å; C338-I354 HydrophobicContact CB-CG2 4.2Å; F352-I354 HydrophobicContact CD2-CG2 4.05Å; F352-I354 HydrophobicContact CE2-CG2 4.11Å; I354-V356 HydrophobicContact CD1-CG2 3.78Å; I354-V356 HydrophobicContact CG1-CG2 3.94Å; I354-P362 CarbonylContact O-C 3.59Å; I354-P362 WeakPolarHBondContact O-CA 3.42Å; I354-L363 HydrophobicContact CD1-CB 4.41Å; I354-L363 HydrophobicContact CD1-CD2 4.3Å; I354-L363 HydrophobicContact CG1-CB 3.85Å; I354-L363 PolarHBondContact N-O 3.26Å; I354-L363 PolarHBondContact O-N 2.92Å; I354-L365 HydrophobicContact CD1-CD1 3.69Å; I354-L365 HydrophobicContact CD1-CG 4.43Å; I354-L365 HydrophobicContact CG1-CD1 4.04Å; I354-L365 HydrophobicContact CG1-CG 4.42Å; I354-L365 HydrophobicContact CG2-CD1 4.22Å; I354-M380 HydrophobicContact CG2-SD 4.02Å |
| 355 | E | 92.8 | Very high | 89.1 | Confident | 88 Ų | 88 | 67.6 Ų | 67.6 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 128.6 | 166.2 | -69.2 | 175.3 | 171.6 | 0 | 0 | 108.1 | I336 S337 P362 | I336-E355 HydrophobicContact CB-CB 4.2Å; I336-E355 PolarHBondContact N-O 3.48Å; S337-E355 PolarHBondContact O-N 2.92Å; S337-E355 WeakPolarHBondContact OG-CB 3.36Å; S337-E355 WeakPolarHBondContact OG-CG 3.31Å; S337-E355 PolarHBondContact OG-OE2 3Å; E355-P362 HydrophobicContact CG-CB 4.36Å |
| 356 | V | 91.7 | Very high | 89.8 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.4 | -175.7 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | L333 N334 I354 R358 R359 | L333-V356 HydrophobicContact CB-CG1 3.63Å; L333-V356 HydrophobicContact CB-CG2 4.28Å; L333-V356 HydrophobicContact CD1-CG2 4.28Å; L333-V356 HydrophobicContact CD2-CG1 3.89Å; L333-V356 HydrophobicContact CG-CG1 4.22Å; N334-V356 WeakPolarHBondContact O-CA 3.45Å; N334-V356 WeakPolarHBondContact O-CG1 3.47Å; I354-V356 HydrophobicContact CD1-CG2 3.78Å; I354-V356 HydrophobicContact CG1-CG2 3.94Å; V356-R358 PolarHBondContact O-N 3.14Å; V356-R359 PolarHBondContact O-N 2.96Å; V356-R359 VanDerWaalsContact O-N 3.14Å |
| 357 | S | 86.1 | Confident | 90.3 | Very high | 40 Ų | 40 | 63.8 Ų | 63.8 | 28% | 0.28 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 132.1 | 171.8 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | N334 | N334-S357 PolarHBondContact O-N 3.37Å; N334-S357 PolarHBondContact O-OG 2.96Å |
| 358 | R | 84.9 | Confident | 90.7 | Very high | 259 Ų | 259 | 59 Ų | 59 | 98% | 0.977 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 9.4 | -178.2 | -44.9 | 172.9 | 179.5 | 177.9 | -0.9 | 116.1 | V356 | V356-R358 PolarHBondContact O-N 3.14Š|
| 359 | R | 86.6 | Confident | 90.7 | Very high | 99 Ų | 99 | 55.3 Ų | 55.3 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | trans | -117 | 135.2 | 167 | -71 | -171.6 | 171 | -177.8 | 0.2 | 110.2 | E331 V356 | E331-R359 IonicContact OE1-CZ 3.29Å; E331-R359 IonicContact OE1-NH2 3.82Å; E331-R359 PolarHBondContact OE1-NH2 3.43Å; E331-R359 IonicContact OE2-CZ 3.92Å; E331-R359 IonicContact OE2-NH2 3.7Å; E331-R359 PolarHBondContact OE2-NH2 2.93Å; V356-R359 PolarHBondContact O-N 2.96Å; V356-R359 VanDerWaalsContact O-N 3.14Å | ||
| 360 | S | 83.4 | Confident | 90.5 | Very high | 127 Ų | 127 | 50.7 Ų | 50.7 | 89% | 0.888 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -80.9 | -22.6 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 113 | ||
| 361 | T | 87.1 | Confident | 90.2 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 60% | 0.601 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -113.3 | 141.6 | 177.6 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 362 | P | 89.5 | Confident | 90 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 147.4 | 176.4 | 27.6 | -34 | 0 | 0 | 0 | 110.7 | D353 I354 E355 | D353-P362 HydrophobicContact CB-CB 4.21Å; I354-P362 CarbonylContact O-C 3.59Å; I354-P362 WeakPolarHBondContact O-CA 3.42Å; E355-P362 HydrophobicContact CG-CB 4.36Å |
| 363 | L | 92.1 | Very high | 89.8 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 127.3 | 174 | -171.4 | 64.2 | 0 | 0 | 0 | 109.1 | V284 L310 L333 D353 I354 L365 | V284-L363 HydrophobicContact CG1-CD1 3.72Å; V284-L363 HydrophobicContact CG1-CD2 3.85Å; V284-L363 HydrophobicContact CG1-CG 3.98Å; L310-L363 HydrophobicContact CD1-CD2 3.86Å; L333-L363 HydrophobicContact CD1-CD2 3.89Å; D353-L363 WeakPolarHBondContact CA-O 3.14Å; I354-L363 HydrophobicContact CD1-CB 4.41Å; I354-L363 HydrophobicContact CD1-CD2 4.3Å; I354-L363 HydrophobicContact CG1-CB 3.85Å; I354-L363 PolarHBondContact N-O 3.26Å; I354-L363 PolarHBondContact O-N 2.92Å; L363-L365 HydrophobicContact CD2-CD2 3.94Å; L363-L365 HydrophobicContact CG-CD2 4.07Å |
| 364 | T | 94 | Very high | 89.3 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.5 | 175.8 | -53.6 | 0 | 0 | 0 | 0 | 110 | A285 W294 R341 I346 C351 D353 | A285-T364 WeakPolarHBondContact CB-O 3.42Å; A285-T364 PolarHBondContact N-O 3.07Å; W294-T364 HydrophobicContact CH2-CG2 4.02Å; R341-T364 PolarHBondContact NE-OG1 3.31Å; R341-T364 PolarHBondContact NH2-OG1 2.93Å; I346-T364 HydrophobicContact CD1-CG2 3.98Å; C351-T364 HydrophobicContact CB-CG2 4.2Å; D353-T364 WeakPolarHBondContact OD1-CA 3.3Å; D353-T364 WeakPolarHBondContact OD1-CB 3.41Å; D353-T364 PolarHBondContact OD1-OG1 3.02Å |
| 365 | L | 95.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 155.2 | 177.4 | -57.6 | -178.3 | 0 | 0 | 0 | 109.4 | V282 F283 V284 L308 C351 F352 I354 L363 | V282-L365 HydrophobicContact CG2-CB 4.47Å; V282-L365 HydrophobicContact CG2-CD2 4.11Å; F283-L365 CarbonylContact O-C 3.54Å; F283-L365 WeakPolarHBondContact O-CA 3.25Å; V284-L365 HydrophobicContact CB-CD2 4.06Å; V284-L365 HydrophobicContact CG1-CD2 4Å; V284-L365 HydrophobicContact CG2-CD2 3.59Å; L308-L365 HydrophobicContact CD2-CD1 4.12Å; C351-L365 CarbonylContact C-O 3.54Å; C351-L365 WeakPolarHBondContact CA-O 3.46Å; F352-L365 HydrophobicContact CD1-CB 4.11Å; F352-L365 HydrophobicContact CD2-CB 4.16Å; F352-L365 HydrophobicContact CD2-CD1 4.38Å; F352-L365 HydrophobicContact CE1-CB 3.7Å; F352-L365 HydrophobicContact CE2-CB 3.77Å; F352-L365 HydrophobicContact CE2-CD1 3.55Å; F352-L365 HydrophobicContact CE2-CG 4.2Å; F352-L365 HydrophobicContact CG-CB 4.35Å; F352-L365 HydrophobicContact CZ-CB 3.52Å; F352-L365 HydrophobicContact CZ-CD1 3.77Å; F352-L365 HydrophobicContact CZ-CG 4.28Å; F352-L365 PolarHBondContact N-O 2.95Å; F352-L365 PolarHBondContact O-N 3.1Å; I354-L365 HydrophobicContact CD1-CD1 3.69Å; I354-L365 HydrophobicContact CD1-CG 4.43Å; I354-L365 HydrophobicContact CG1-CD1 4.04Å; I354-L365 HydrophobicContact CG1-CG 4.42Å; I354-L365 HydrophobicContact CG2-CD1 4.22Å; L363-L365 HydrophobicContact CD2-CD2 3.94Å; L363-L365 HydrophobicContact CG-CD2 4.07Å |
| 366 | Q | 94.7 | Very high | 88.8 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.5 | 175.5 | 176 | -176.5 | 28.3 | 0 | 0 | 109.8 | V282 F283 W294 R348 R349 | V282-Q366 WeakPolarHBondContact CA-O 3.5Å; F283-Q366 HydrophobicContact CB-CB 4.2Å; F283-Q366 PolarHBondContact N-O 3.26Å; F283-Q366 PolarHBondContact O-N 3.49Å; W294-Q366 HydrophobicContact CE3-CB 4.31Å; W294-Q366 HydrophobicContact CH2-CB 4.23Å; W294-Q366 HydrophobicContact CZ3-CB 3.64Å; R348-Q366 VanDerWaalsContact CD-OE1 3.27Å; R349-Q366 WeakPolarHBondContact O-CG 3.46Å; R349-Q366 PolarHBondContact O-NE2 3.09Å |
| 367 | A | 93.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | trans | -76.3 | 165 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W350 F352 D372 L373 | W350-A367 HydrophobicContact CB-CB 4.3Å; W350-A367 PolarHBondContact O-N 2.77Å; F352-A367 HydrophobicContact CE1-CB 4.25Å; A367-D372 HydrophobicContact CB-CB 4.19Å; A367-L373 HydrophobicContact CB-CB 3.78Å | ||
| 368 | Q | 90.8 | Very high | 88.6 | Confident | 68 Ų | 68 | 56.3 Ų | 56.3 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -77 | -28.4 | -174 | -65.2 | 175.6 | 87.6 | 0 | 0 | 113.3 | W266 Y281 W350 D372 | W266-Q368 HydrophobicContact CH2-CB 3.98Å; W266-Q368 HydrophobicContact CZ2-CB 4.41Å; Y281-Q368 PolarHBondContact O-NE2 3.11Å; W350-Q368 WeakPolarHBondContact CZ3-O 3.37Å; Q368-D372 PolarHBondContact N-OD2 2.75Å |
| 369 | C | 86.6 | Confident | 88.6 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -153.1 | -177.3 | 178.2 | 65.5 | 0 | 0 | 0 | 0 | 110 | E267 D372 L373 | E267-C369 PolarHBondContact OE1-SG 3.29Å; C369-D372 VanDerWaalsContact SG-CB 3.5Å; C369-D372 PolarHBondContact SG-N 3.08Å; C369-L373 PolarHBondContact O-N 2.89Å; C369-L373 VanDerWaalsContact O-N 3.14Å |
| 370 | L | 86.5 | Confident | 88.8 | Confident | 66 Ų | 66 | 40 Ų | 40 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 178.4 | -178.6 | 61.3 | 0 | 0 | 0 | 111.9 | W350 L373 H374 | W350-L370 VanDerWaalsContact CD1-CA 3.42Å; L370-L373 HydrophobicContact CD1-CD2 4.42Å; L370-L373 WeakPolarHBondContact O-CB 3.48Å; L370-L373 PolarHBondContact O-N 2.89Å; L370-H374 PolarHBondContact O-N 3.09Å |
| 371 | D | 83.1 | Confident | 88.9 | Confident | 90 Ų | 90 | 38.1 Ų | 38.1 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.2 | -40.4 | -178.5 | -58 | -55.3 | 0 | 0 | 0 | 111 | E267 L373 H374 E375 | E267-D371 HydrophobicContact CG-CB 4Å; D371-L373 VanDerWaalsContact C-N 3.31Å; D371-L373 PolarHBondContact O-N 2.85Å; D371-H374 WeakPolarHBondContact O-CB 3.41Å; D371-H374 PolarHBondContact O-N 3.43Å; D371-H374 VanDerWaalsContact O-N 3.09Å; D371-E375 WeakPolarHBondContact O-CG 3.36Å; D371-E375 PolarHBondContact O-N 3.43Å |
| 372 | D | 88.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 173.2 | -175.6 | 37.2 | 0 | 0 | 0 | 111.3 | W266 E267 R278 A367 Q368 C369 E375 W376 | W266-D372 HydrophobicContact CH2-CB 4.14Å; E267-D372 HydrophobicContact CG-CB 4.06Å; R278-D372 IonicContact CZ-OD1 3.73Å; R278-D372 IonicContact NE-OD1 2.69Å; R278-D372 IonicContact NH2-OD1 2.77Å; R278-D372 PolarHBondContact NH2-OD1 2.86Å; A367-D372 HydrophobicContact CB-CB 4.19Å; Q368-D372 PolarHBondContact N-OD2 2.75Å; C369-D372 VanDerWaalsContact SG-CB 3.5Å; C369-D372 PolarHBondContact SG-N 3.08Å; D372-E375 PolarHBondContact O-N 3.35Å; D372-W376 PolarHBondContact O-N 2.88Å; D372-W376 PolarHBondContact OD1-NE1 3.35Å |
| 373 | L | 89.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 172.3 | 169.6 | 67.7 | 0 | 0 | 0 | 111.5 | R340 W350 F352 A367 C369 L370 D371 E375 W376 L377 | R340-L373 HydrophobicContact CG-CD2 4.04Å; W350-L373 HydrophobicContact CB-CB 4.21Å; W350-L373 HydrophobicContact CB-CD2 4.35Å; F352-L373 HydrophobicContact CB-CD1 3.8Å; F352-L373 HydrophobicContact CD1-CD1 3.52Å; F352-L373 HydrophobicContact CE1-CD1 4.39Å; F352-L373 HydrophobicContact CG-CD1 3.96Å; A367-L373 HydrophobicContact CB-CB 3.78Å; C369-L373 PolarHBondContact O-N 2.89Å; C369-L373 VanDerWaalsContact O-N 3.14Å; L370-L373 HydrophobicContact CD1-CD2 4.42Å; L370-L373 WeakPolarHBondContact O-CB 3.48Å; L370-L373 PolarHBondContact O-N 2.89Å; D371-L373 VanDerWaalsContact C-N 3.31Å; D371-L373 PolarHBondContact O-N 2.85Å; L373-E375 VanDerWaalsContact C-N 3.29Å; L373-E375 PolarHBondContact O-N 3.23Å; L373-W376 PolarHBondContact O-N 3.03Å; L373-L377 HydrophobicContact CD1-CD1 3.9Å; L373-L377 HydrophobicContact CD1-CD2 4.49Å; L373-L377 HydrophobicContact CD1-CG 3.95Å; L373-L377 HydrophobicContact CD2-CD1 4.44Å; L373-L377 HydrophobicContact CG-CD1 3.87Å; L373-L377 HydrophobicContact CG-CG 4.33Å; L373-L377 VanDerWaalsContact O-CG 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 3.18Å |
| 374 | H | 84.9 | Confident | 86.9 | Confident | 69 Ų | 69 | 43.5 Ų | 43.5 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 179 | -70.7 | 174.3 | 0 | 0 | 0 | 111.2 | L370 D371 L377 L378 | L370-H374 PolarHBondContact O-N 3.09Å; D371-H374 WeakPolarHBondContact O-CB 3.41Å; D371-H374 PolarHBondContact O-N 3.43Å; D371-H374 VanDerWaalsContact O-N 3.09Å; H374-L377 PolarHBondContact O-N 2.8Å; H374-L378 VanDerWaalsContact O-CB 3.28Å; H374-L378 WeakPolarHBondContact O-CB 3.42Å; H374-L378 PolarHBondContact O-N 3.24Å |
| 375 | E | 85.2 | Confident | 84.9 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -42 | 176.4 | -67.9 | -68.3 | 132.7 | 0 | 0 | 113 | E267 S271 R278 D371 D372 L373 L377 L378 V379 | E267-E375 HydrophobicContact CB-CG 4.4Å; S271-E375 PolarHBondContact OG-OE2 3.06Å; R278-E375 IonicContact NH1-OE2 2.93Å; D371-E375 WeakPolarHBondContact O-CG 3.36Å; D371-E375 PolarHBondContact O-N 3.43Å; D372-E375 PolarHBondContact O-N 3.35Å; L373-E375 VanDerWaalsContact C-N 3.29Å; L373-E375 PolarHBondContact O-N 3.23Å; E375-L377 PolarHBondContact O-N 3.45Å; E375-L378 PolarHBondContact O-N 3.3Å; E375-V379 PolarHBondContact O-N 3.27Å |
| 376 | W | 89.7 | Confident | 82.3 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 174.5 | -80.6 | 113.3 | 0 | 0 | 0 | 112.5 | R278 V282 C299 F352 D372 L373 V379 M380 | R278-W376 HydrophobicContact CB-CH2 4.39Å; R278-W376 HydrophobicContact CB-CZ3 4.11Å; R278-W376 HydrophobicContact CG-CD2 4.49Å; R278-W376 HydrophobicContact CG-CE3 4.32Å; R278-W376 HydrophobicContact CG-CH2 4.07Å; R278-W376 HydrophobicContact CG-CZ2 4.24Å; R278-W376 HydrophobicContact CG-CZ3 4.11Å; V282-W376 HydrophobicContact CG1-CD2 4.43Å; V282-W376 HydrophobicContact CG1-CZ2 3.72Å; C299-W376 HydrophobicContact CB-CH2 3.95Å; C299-W376 HydrophobicContact CB-CZ2 4.3Å; F352-W376 HydrophobicContact CE1-CB 4.26Å; F352-W376 HydrophobicContact CE1-CG 4.32Å; F352-W376 HydrophobicContact CE2-CB 4.4Å; F352-W376 HydrophobicContact CZ-CB 3.97Å; F352-W376 HydrophobicContact CZ-CD2 4.36Å; F352-W376 AromaticContact CZ-CG 3.96Å; F352-W376 HydrophobicContact CZ-CG 3.96Å; D372-W376 PolarHBondContact O-N 2.88Å; D372-W376 PolarHBondContact OD1-NE1 3.35Å; L373-W376 PolarHBondContact O-N 3.03Å; W376-V379 HydrophobicContact CE3-CG1 4.25Å; W376-V379 WeakPolarHBondContact O-CG1 3.31Å; W376-M380 HydrophobicContact CE3-CE 3.59Å; W376-M380 HydrophobicContact CE3-SD 4.49Å; W376-M380 HydrophobicContact CZ3-CE 3.73Å; W376-M380 VanDerWaalsContact O-CB 3.3Å; W376-M380 WeakPolarHBondContact O-CB 3.38Å; W376-M380 WeakPolarHBondContact O-CG 3.31Å; W376-M380 PolarHBondContact O-N 3.26Å |
| 377 | L | 89 | Confident | 79.5 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 174.6 | -68.2 | 170.2 | 0 | 0 | 0 | 110.6 | R340 F352 L373 H374 E375 M380 D381 G382 | R340-L377 HydrophobicContact CB-CD1 3.91Å; R340-L377 HydrophobicContact CB-CD2 4.27Å; R340-L377 HydrophobicContact CG-CD1 4.38Å; F352-L377 HydrophobicContact CB-CD2 4.26Å; L373-L377 HydrophobicContact CD1-CD1 3.9Å; L373-L377 HydrophobicContact CD1-CD2 4.49Å; L373-L377 HydrophobicContact CD1-CG 3.95Å; L373-L377 HydrophobicContact CD2-CD1 4.44Å; L373-L377 HydrophobicContact CG-CD1 3.87Å; L373-L377 HydrophobicContact CG-CG 4.33Å; L373-L377 VanDerWaalsContact O-CG 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 3.18Å; H374-L377 PolarHBondContact O-N 2.8Å; E375-L377 PolarHBondContact O-N 3.45Å; L377-M380 PolarHBondContact O-N 2.95Å; L377-D381 PolarHBondContact O-N 2.97Å; L377-D381 VanDerWaalsContact O-N 3.11Å; L377-G382 PolarHBondContact O-N 3.48Å |
| 378 | L | 84.9 | Confident | 76.5 | Confident | 119 Ų | 119 | 69.9 Ų | 69.9 | 62% | 0.623 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.9 | -48.2 | -178.9 | -174.8 | 139.2 | 0 | 0 | 0 | 111.8 | H374 E375 M380 D381 | H374-L378 VanDerWaalsContact O-CB 3.28Å; H374-L378 WeakPolarHBondContact O-CB 3.42Å; H374-L378 PolarHBondContact O-N 3.24Å; E375-L378 PolarHBondContact O-N 3.3Å; L378-M380 PolarHBondContact O-N 3.04Å; L378-D381 PolarHBondContact O-N 2.83Å |
| 379 | V | 85.8 | Confident | 73.6 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.8 | -29.8 | -179.5 | 75.6 | 0 | 0 | 0 | 0 | 113 | R278 Y301 R303 E375 W376 | R278-V379 HydrophobicContact CB-CB 4.35Å; R278-V379 HydrophobicContact CB-CG1 3.85Å; R278-V379 HydrophobicContact CB-CG2 4.21Å; Y301-V379 HydrophobicContact CD1-CG1 3.99Å; Y301-V379 HydrophobicContact CD1-CG2 4.07Å; Y301-V379 HydrophobicContact CE1-CG1 4.48Å; Y301-V379 HydrophobicContact CE1-CG2 4.37Å; Y301-V379 WeakPolarHBondContact CE1-O 3.33Å; R303-V379 WeakPolarHBondContact CG-O 3.37Å; E375-V379 PolarHBondContact O-N 3.27Å; W376-V379 HydrophobicContact CE3-CG1 4.25Å; W376-V379 WeakPolarHBondContact O-CG1 3.31Å |
| 380 | M | 89.8 | Confident | 71 | Confident | 8 Ų | 8 | 82.5 Ų | 82.5 | 4% | 0.039 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 10.4 | -179.7 | -65.3 | -175 | 175.9 | 0 | 0 | 114.1 | Y301 L308 C338 F352 I354 W376 L377 L378 G382 | Y301-M380 HydrophobicContact CD1-CE 4.22Å; Y301-M380 HydrophobicContact CD1-CG 3.81Å; Y301-M380 HydrophobicContact CD2-CE 3.76Å; Y301-M380 HydrophobicContact CD2-CG 4.37Å; Y301-M380 HydrophobicContact CE1-CB 4.32Å; Y301-M380 HydrophobicContact CE1-CG 3.65Å; Y301-M380 HydrophobicContact CE2-CE 4.35Å; Y301-M380 HydrophobicContact CE2-CG 4.23Å; Y301-M380 HydrophobicContact CG-CE 3.67Å; Y301-M380 HydrophobicContact CG-CG 4.16Å; L308-M380 HydrophobicContact CD1-CE 3.78Å; L308-M380 HydrophobicContact CD2-CE 4.37Å; C338-M380 HydrophobicContact CB-CB 3.62Å; C338-M380 HydrophobicContact CB-SD 4.28Å; F352-M380 HydrophobicContact CE2-SD 4.19Å; I354-M380 HydrophobicContact CG2-SD 4.02Å; W376-M380 HydrophobicContact CE3-CE 3.59Å; W376-M380 HydrophobicContact CE3-SD 4.49Å; W376-M380 HydrophobicContact CZ3-CE 3.73Å; W376-M380 VanDerWaalsContact O-CB 3.3Å; W376-M380 WeakPolarHBondContact O-CB 3.38Å; W376-M380 WeakPolarHBondContact O-CG 3.31Å; W376-M380 PolarHBondContact O-N 3.26Å; L377-M380 PolarHBondContact O-N 2.95Å; L378-M380 PolarHBondContact O-N 3.04Å; M380-G382 PolarHBondContact O-N 3.33Å |
| 381 | D | 85.1 | Confident | 68.2 | Low | 87 Ų | 87 | 90 Ų | 90 | 47% | 0.465 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 39.6 | -175.5 | -60.8 | -60.5 | 0 | 0 | 0 | 112.5 | R303 L377 L378 | R303-D381 IonicContact CZ-OD1 2.74Å; R303-D381 IonicContact CZ-OD2 3.11Å; R303-D381 IonicContact NE-OD1 3.95Å; R303-D381 IonicContact NE-OD2 3.32Å; R303-D381 PolarHBondContact NE-OD2 3.08Å; R303-D381 VanDerWaalsContact NE-OD2 3.15Å; R303-D381 IonicContact NH2-OD1 3.74Å; R303-D381 PolarHBondContact NH2-OD1 3.27Å; R303-D381 IonicContact NH2-OD2 2.78Å; L377-D381 PolarHBondContact O-N 2.97Å; L377-D381 VanDerWaalsContact O-N 3.11Å; L378-D381 PolarHBondContact O-N 2.83Å |
| 382 | G | 82.8 | Confident | 65.5 | Low | 20 Ų | 20 | 91.7 Ų | 91.7 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 139 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C338 L377 M380 | C338-G382 VanDerWaalsContact O-CA 3.23Å; C338-G382 WeakPolarHBondContact O-CA 3.24Å; L377-G382 PolarHBondContact O-N 3.48Å; M380-G382 PolarHBondContact O-N 3.33Å |
| 383 | K | 77.5 | Confident | 62.5 | Low | 167 Ų | 167 | 97.2 Ų | 97.2 | 73% | 0.726 | 47% | 0.47 | S | S | * | . | B | Isolated β-bridge | trans | -84.7 | 124.1 | 177.6 | -62.8 | -178.1 | -177.8 | 178.6 | 0 | 111 | C338 R340 | C338-K383 PolarHBondContact O-N 3.23Å; C338-K383 VanDerWaalsContact O-N 3.09Å; R340-K383 PolarHBondContact N-O 2.85Å |
| 384 | E | 67.2 | Low | 59.5 | Low | 99 Ų | 99 | 105 Ų | 105 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 134.6 | 164.7 | -88.4 | -178.1 | 134.2 | 0 | 0 | 110.5 | I386 R391 | E384-I386 PolarHBondContact O-N 3.28Å; E384-R391 IonicContact OE2-NH2 3.84Å |
| 385 | P | 51.7 | Low | 56.7 | Low | 52 Ų | 52 | 110.3 Ų | 110.3 | 34% | 0.338 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 125.4 | 156.8 | -14 | 26.3 | 0 | 0 | 0 | 107.7 | R340 Y387 | R340-P385 HydrophobicContact CB-CG 4.48Å; P385-Y387 HydrophobicContact CB-CE2 4.19Å; P385-Y387 VanDerWaalsContact O-CD2 3.25Å; P385-Y387 WeakPolarHBondContact O-CD2 3.5Å; P385-Y387 PolarHBondContact O-N 3.45Å |
| 386 | I | 41.6 | Very low | 54.1 | Low | 161 Ų | 161 | 117.3 Ų | 117.3 | 83% | 0.826 | 57% | 0.569 | S | S | * | * | trans | -57.8 | 112 | -174.3 | -57.4 | 164.7 | 0 | 0 | 0 | 109.3 | E384 | E384-I386 PolarHBondContact O-N 3.28Š| ||
| 387 | Y | 35.7 | Very low | 51.9 | Low | 183 Ų | 183 | 121.2 Ų | 121.2 | 72% | 0.718 | 60% | 0.596 | S | S | * | * | trans | -118.1 | 123.6 | 159.7 | -69.1 | -81.6 | 0 | 0 | 0 | 106.4 | P385 D389 | P385-Y387 HydrophobicContact CB-CE2 4.19Å; P385-Y387 VanDerWaalsContact O-CD2 3.25Å; P385-Y387 WeakPolarHBondContact O-CD2 3.5Å; P385-Y387 PolarHBondContact O-N 3.45Å; Y387-D389 PolarHBondContact O-N 3Å; Y387-D389 VanDerWaalsContact O-N 3.14Å | ||
| 388 | E | 29.9 | Very low | 50.2 | Low | 194 Ų | 194 | 128.3 Ų | 128.3 | 91% | 0.907 | 63% | 0.634 | S | S | * | * | trans | -68 | 105.5 | 173.3 | -70.3 | -166.4 | 164.4 | 0 | 0 | 109.2 | ||||
| 389 | D | 31 | Very low | 49.4 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 74% | 0.738 | 63% | 0.625 | S | S | * | * | trans | -165.1 | 154.3 | 133.9 | -147 | -9.1 | 0 | 0 | 0 | 112.5 | Y387 | Y387-D389 PolarHBondContact O-N 3Å; Y387-D389 VanDerWaalsContact O-N 3.14Å | ||
| 390 | R | 30.8 | Very low | 49.1 | Very low | 219 Ų | 219 | 126.7 Ų | 126.7 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | trans | -42.4 | 122.1 | -162.4 | -69.6 | 154.3 | -174 | -152.4 | -0.6 | 118.2 | V392 | R390-V392 PolarHBondContact O-N 3.21Š| ||
| 391 | R | 28.5 | Very low | 48.9 | Very low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 65% | 0.65 | S | S | * | * | trans | -75.1 | 105.4 | 153.7 | -67.5 | -179.3 | -176.9 | 175.7 | -0.5 | 109.2 | E384 C393 | E384-R391 IonicContact OE2-NH2 3.84Å; R391-C393 PolarHBondContact O-N 3.35Å | ||
| 392 | V | 26 | Very low | 49 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | trans | -69.7 | 112.2 | 164.7 | 175.7 | 0 | 0 | 0 | 0 | 107.1 | R390 L394 | R390-V392 PolarHBondContact O-N 3.21Å; V392-L394 PolarHBondContact O-N 3.37Å | ||
| 393 | C | 25.1 | Very low | 49.2 | Very low | 116 Ų | 116 | 132 Ų | 132 | 78% | 0.784 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 117.9 | 167.6 | -166.8 | 0 | 0 | 0 | 0 | 107.4 | R391 Q395 | R391-C393 PolarHBondContact O-N 3.35Å; C393-Q395 PolarHBondContact O-N 3.45Å; C393-Q395 VanDerWaalsContact O-N 3.1Å |
| 394 | L | 27.1 | Very low | 49.7 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 86% | 0.859 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 118.6 | 170.8 | -70.2 | 164.2 | 0 | 0 | 0 | 107 | V392 E396 | V392-L394 PolarHBondContact O-N 3.37Å; L394-E396 PolarHBondContact O-N 2.86Å |
| 395 | Q | 26.8 | Very low | 50.6 | Low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 132.2 | 178.1 | -67.1 | 175.6 | 10.5 | 0 | 0 | 107.7 | C393 S397 | C393-Q395 PolarHBondContact O-N 3.45Å; C393-Q395 VanDerWaalsContact O-N 3.1Å; Q395-S397 PolarHBondContact O-N 3.32Å |
| 396 | E | 30.7 | Very low | 52.3 | Low | 190 Ų | 190 | 129.3 Ų | 129.3 | 89% | 0.888 | 63% | 0.633 | S | S | * | * | trans | -45.4 | 106.9 | 169.7 | -72.6 | 170.3 | 154 | 0 | 0 | 107.4 | L394 D398 | L394-E396 PolarHBondContact O-N 2.86Å; E396-D398 PolarHBondContact O-N 3.04Å | ||
| 397 | S | 43.3 | Very low | 54.7 | Low | 83 Ų | 83 | 123 Ų | 123 | 58% | 0.58 | 60% | 0.599 | S | S | * | * | trans | -52.6 | 133.9 | 163.1 | 43.5 | 0 | 0 | 0 | 0 | 106.1 | Q395 N399 | Q395-S397 PolarHBondContact O-N 3.32Å; S397-N399 PolarHBondContact O-N 3.33Å; S397-N399 PolarHBondContact O-OD1 3.43Å; S397-N399 PolarHBondContact OG-OD1 2.99Å | ||
| 398 | D | 52.1 | Low | 57.3 | Low | 158 Ų | 158 | 119.9 Ų | 119.9 | 85% | 0.845 | 59% | 0.591 | S | S | * | * | trans | -56.7 | 83 | 173.7 | -72.6 | -40.8 | 0 | 0 | 0 | 108.8 | E396 I400 | E396-D398 PolarHBondContact O-N 3.04Å; D398-I400 PolarHBondContact O-N 2.93Å | ||
| 399 | N | 68.9 | Low | 60.3 | Low | 79 Ų | 79 | 111.1 Ų | 111.1 | 42% | 0.422 | 55% | 0.55 | S | S | . | . | trans | -72.7 | 104.9 | -174.4 | -80.8 | -0.3 | 0 | 0 | 0 | 106.9 | S397 Q401 E475 | S397-N399 PolarHBondContact O-N 3.33Å; S397-N399 PolarHBondContact O-OD1 3.43Å; S397-N399 PolarHBondContact OG-OD1 2.99Å; N399-Q401 PolarHBondContact O-N 3.01Å; N399-Q401 VanDerWaalsContact O-N 3.08Å; N399-E475 HydrophobicContact CB-CB 4.19Å; N399-E475 HydrophobicContact CB-CG 4.29Å; N399-E475 VanDerWaalsContact ND2-CD 3.27Å; N399-E475 PolarHBondContact ND2-OE1 3.07Å | ||
| 400 | I | 80.2 | Confident | 63.3 | Low | 14 Ų | 14 | 104.8 Ų | 104.8 | 7% | 0.072 | 52% | 0.516 | C | S | . | . | B | Isolated β-bridge | trans | -69.5 | 109.4 | 178.8 | -53.6 | 174.7 | 0 | 0 | 0 | 107.7 | D398 I441 L445 F470 Q473 L474 E475 | D398-I400 PolarHBondContact O-N 2.93Å; I400-I441 HydrophobicContact CD1-CG2 4.39Å; I400-L445 HydrophobicContact CD1-CD1 3.59Å; I400-L445 HydrophobicContact CG1-CD1 3.72Å; I400-L445 HydrophobicContact CG1-CD2 4.49Å; I400-L445 HydrophobicContact CG2-CD2 4.04Å; I400-F470 HydrophobicContact CG2-CE2 3.84Å; I400-F470 HydrophobicContact CG2-CZ 3.74Å; I400-Q473 HydrophobicContact CD1-CB 3.79Å; I400-L474 HydrophobicContact CB-CD2 4.48Å; I400-L474 HydrophobicContact CG2-CD2 3.84Å; I400-L474 CarbonylContact O-C 3.6Å; I400-L474 WeakPolarHBondContact O-CA 3.4Å; I400-E475 PolarHBondContact O-N 3.13Å |
| 401 | Q | 84.5 | Confident | 66.3 | Low | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | trans | -103.4 | 154.4 | 176.8 | -68.2 | -177.2 | -1.7 | 0 | 0 | 111.5 | N399 N403 E475 | N399-Q401 PolarHBondContact O-N 3.01Å; N399-Q401 VanDerWaalsContact O-N 3.08Å; Q401-N403 PolarHBondContact O-N 3.2Å; Q401-E475 WeakPolarHBondContact CG-OE2 3.47Å; Q401-E475 PolarHBondContact NE2-OE2 2.95Å | ||
| 402 | L | 86.8 | Confident | 69.4 | Low | 33 Ų | 33 | 89.4 Ų | 89.4 | 17% | 0.173 | 46% | 0.464 | C | S | . | . | trans | -73.7 | 117.1 | 170.5 | -68.4 | 175 | 0 | 0 | 0 | 109.6 | L474 E512 N513 T516 | L402-L474 HydrophobicContact CD1-CD1 4.5Å; L402-L474 HydrophobicContact CD2-CD1 3.87Å; L402-L474 HydrophobicContact CD2-CD2 3.9Å; L402-L474 HydrophobicContact CG-CD1 4.17Å; L402-L474 HydrophobicContact CG-CD2 4.21Å; L402-E512 HydrophobicContact CB-CB 4.24Å; L402-N513 HydrophobicContact CD1-CB 4.41Å; L402-T516 HydrophobicContact CD2-CG2 4Å | ||
| 403 | N | 87.7 | Confident | 72.6 | Confident | 75 Ų | 75 | 83.5 Ų | 83.5 | 40% | 0.401 | 43% | 0.428 | S | S | . | . | trans | -148.2 | 173.5 | 176 | 61.2 | 37 | 0 | 0 | 0 | 110.4 | Q401 K405 S406 Y407 | Q401-N403 PolarHBondContact O-N 3.2Å; N403-K405 VanDerWaalsContact C-N 3.25Å; N403-K405 PolarHBondContact O-N 3.03Å; N403-K405 VanDerWaalsContact O-N 3.16Å; N403-K405 PolarHBondContact OD1-N 2.96Å; N403-S406 PolarHBondContact N-OG 3.07Å; N403-S406 PolarHBondContact O-N 3.2Å; N403-S406 VanDerWaalsContact O-N 3.1Å; N403-S406 PolarHBondContact O-OG 3.22Å; N403-S406 PolarHBondContact OD1-N 3.28Å; N403-S406 PolarHBondContact OD1-OG 3.2Å; N403-Y407 PolarHBondContact O-N 2.88Å | ||
| 404 | D | 87.6 | Confident | 76 | Confident | 108 Ų | 108 | 78.1 Ų | 78.1 | 58% | 0.578 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -56 | -36.4 | -177.5 | -72.2 | -48.3 | 0 | 0 | 0 | 113.7 | Y407 E408 R515 | D404-Y407 PolarHBondContact O-N 2.96Å; D404-E408 WeakPolarHBondContact O-CB 3.29Å; D404-E408 PolarHBondContact O-N 3.47Å; D404-R515 IonicContact OD1-NH1 2.86Å; D404-R515 PolarHBondContact OD1-NH1 3.41Å |
| 405 | K | 86.5 | Confident | 79.2 | Confident | 148 Ų | 148 | 74.1 Ų | 74.1 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.1 | -44 | 177.6 | -67.3 | -173.8 | 177.9 | -174.1 | 0 | 112.1 | N403 Y407 E408 F409 | N403-K405 VanDerWaalsContact C-N 3.25Å; N403-K405 PolarHBondContact O-N 3.03Å; N403-K405 VanDerWaalsContact O-N 3.16Å; N403-K405 PolarHBondContact OD1-N 2.96Å; K405-Y407 VanDerWaalsContact C-N 3.3Å; K405-Y407 PolarHBondContact O-N 3.07Å; K405-E408 PolarHBondContact O-N 3.28Å; K405-F409 PolarHBondContact O-N 3.35Å |
| 406 | S | 88.7 | Confident | 82.4 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 175.8 | 67 | 0 | 0 | 0 | 0 | 111.9 | N403 F409 L410 | N403-S406 PolarHBondContact N-OG 3.07Å; N403-S406 PolarHBondContact O-N 3.2Å; N403-S406 VanDerWaalsContact O-N 3.1Å; N403-S406 PolarHBondContact O-OG 3.22Å; N403-S406 PolarHBondContact OD1-N 3.28Å; N403-S406 PolarHBondContact OD1-OG 3.2Å; S406-F409 PolarHBondContact O-N 3.38Å; S406-L410 WeakPolarHBondContact O-CG 3.16Å; S406-L410 PolarHBondContact O-N 2.92Å |
| 407 | Y | 91.5 | Very high | 85.5 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 177 | -177.7 | -89.2 | 0 | 0 | 0 | 111.1 | N403 D404 K405 F409 L410 Q411 R515 L519 | N403-Y407 PolarHBondContact O-N 2.88Å; D404-Y407 PolarHBondContact O-N 2.96Å; K405-Y407 VanDerWaalsContact C-N 3.3Å; K405-Y407 PolarHBondContact O-N 3.07Å; Y407-F409 VanDerWaalsContact C-N 3.32Å; Y407-F409 PolarHBondContact O-N 3.24Å; Y407-L410 PolarHBondContact O-N 3.35Å; Y407-Q411 WeakPolarHBondContact O-CB 3.32Å; Y407-Q411 PolarHBondContact O-N 3.25Å; Y407-R515 HydrophobicContact CD2-CG 4.24Å; Y407-R515 HydrophobicContact CE2-CB 4.43Å; Y407-R515 HydrophobicContact CE2-CG 3.6Å; Y407-L519 HydrophobicContact CD2-CD2 4.3Å; Y407-L519 HydrophobicContact CE2-CB 4.1Å; Y407-L519 HydrophobicContact CE2-CD2 3.78Å |
| 408 | E | 90.7 | Very high | 88 | Confident | 116 Ų | 116 | 55.1 Ų | 55.1 | 54% | 0.542 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 175.3 | -173.7 | -176.2 | 173.8 | 0 | 0 | 111.7 | D404 K405 Q411 N412 | D404-E408 WeakPolarHBondContact O-CB 3.29Å; D404-E408 PolarHBondContact O-N 3.47Å; K405-E408 PolarHBondContact O-N 3.28Å; E408-Q411 PolarHBondContact O-N 2.86Å; E408-N412 WeakPolarHBondContact O-CB 3.44Å; E408-N412 VanDerWaalsContact O-CG 3.31Å; E408-N412 PolarHBondContact O-N 3.48Å; E408-N412 PolarHBondContact O-ND2 3.2Å |
| 409 | F | 91.6 | Very high | 89.9 | Confident | 11 Ų | 11 | 54 Ų | 54 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 174.7 | 169.4 | -117.5 | 0 | 0 | 0 | 111.9 | K405 S406 Y407 Q411 N412 L413 A444 I450 L455 F470 | K405-F409 PolarHBondContact O-N 3.35Å; S406-F409 PolarHBondContact O-N 3.38Å; Y407-F409 VanDerWaalsContact C-N 3.32Å; Y407-F409 PolarHBondContact O-N 3.24Å; F409-Q411 VanDerWaalsContact C-N 3.31Å; F409-Q411 PolarHBondContact O-N 3Å; F409-N412 PolarHBondContact O-N 3.35Å; F409-L413 HydrophobicContact CE1-CD2 4.25Å; F409-L413 HydrophobicContact CZ-CD2 3.97Å; F409-L413 VanDerWaalsContact O-CB 3.3Å; F409-L413 WeakPolarHBondContact O-CB 3.43Å; F409-L413 PolarHBondContact O-N 3.2Å; F409-A444 HydrophobicContact CD1-CB 3.97Å; F409-A444 HydrophobicContact CD2-CB 3.37Å; F409-A444 HydrophobicContact CE1-CB 3.96Å; F409-A444 HydrophobicContact CE2-CB 3.35Å; F409-A444 HydrophobicContact CG-CB 3.68Å; F409-A444 HydrophobicContact CZ-CB 3.65Å; F409-I450 HydrophobicContact CD2-CG2 3.84Å; F409-I450 HydrophobicContact CE2-CG2 3.98Å; F409-L455 HydrophobicContact CE2-CD2 4.33Å; F409-F470 AromaticContact CD1-CD2 3.83Å; F409-F470 HydrophobicContact CD1-CD2 3.83Å; F409-F470 AromaticContact CD1-CE2 3.82Å; F409-F470 HydrophobicContact CD1-CE2 3.82Å; F409-F470 HydrophobicContact CD1-CG 4.25Å; F409-F470 HydrophobicContact CD1-CZ 4.27Å; F409-F470 HydrophobicContact CE1-CB 4.29Å; F409-F470 AromaticContact CE1-CD2 3.56Å; F409-F470 HydrophobicContact CE1-CD2 3.56Å; F409-F470 HydrophobicContact CE1-CE2 4.03Å; F409-F470 AromaticContact CE1-CG 3.91Å; F409-F470 HydrophobicContact CE1-CG 3.91Å |
| 410 | L | 93.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 177.8 | -73.2 | 173.4 | 0 | 0 | 0 | 112 | S406 Y407 L413 I414 L467 F470 T516 L519 | S406-L410 WeakPolarHBondContact O-CG 3.16Å; S406-L410 PolarHBondContact O-N 2.92Å; Y407-L410 PolarHBondContact O-N 3.35Å; L410-L413 PolarHBondContact O-N 3Å; L410-I414 WeakPolarHBondContact O-CB 3.25Å; L410-I414 WeakPolarHBondContact O-CG1 3.44Å; L410-I414 PolarHBondContact O-N 3.46Å; L410-L467 HydrophobicContact CD2-CD1 3.41Å; L410-L467 VanDerWaalsContact CD2-CD1 3.41Å; L410-F470 HydrophobicContact CD1-CD1 4.17Å; L410-F470 HydrophobicContact CD1-CE1 3.95Å; L410-F470 HydrophobicContact CD2-CD1 3.66Å; L410-F470 HydrophobicContact CD2-CE1 4.17Å; L410-F470 HydrophobicContact CD2-CG 4.36Å; L410-F470 HydrophobicContact CG-CD1 4.03Å; L410-F470 HydrophobicContact CG-CE1 4Å; L410-T516 HydrophobicContact CD1-CG2 3.47Å; L410-T516 VanDerWaalsContact CD1-CG2 3.47Å; L410-L519 HydrophobicContact CB-CD2 4.17Å |
| 411 | Q | 93.7 | Very high | 91.2 | Very high | 95 Ų | 95 | 55.6 Ų | 55.6 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 177.5 | -173.7 | 176.5 | -5.8 | 0 | 0 | 111.9 | Y407 E408 F409 L413 H415 L519 | Y407-Q411 WeakPolarHBondContact O-CB 3.32Å; Y407-Q411 PolarHBondContact O-N 3.25Å; E408-Q411 PolarHBondContact O-N 2.86Å; F409-Q411 VanDerWaalsContact C-N 3.31Å; F409-Q411 PolarHBondContact O-N 3Å; Q411-L413 VanDerWaalsContact C-N 3.34Å; Q411-H415 WeakPolarHBondContact O-CB 3.5Å; Q411-H415 PolarHBondContact O-N 2.94Å; Q411-L519 HydrophobicContact CB-CD2 4.03Å |
| 412 | N | 93.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -38.3 | 176.6 | -73.4 | -30.4 | 0 | 0 | 0 | 111.9 | E408 F409 H415 A416 L455 | E408-N412 WeakPolarHBondContact O-CB 3.44Å; E408-N412 VanDerWaalsContact O-CG 3.31Å; E408-N412 PolarHBondContact O-N 3.48Å; E408-N412 PolarHBondContact O-ND2 3.2Å; F409-N412 PolarHBondContact O-N 3.35Å; N412-H415 PolarHBondContact O-N 2.77Å; N412-A416 PolarHBondContact O-N 3.03Å; N412-L455 HydrophobicContact CB-CD1 3.61Å |
| 413 | L | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -49 | 178.1 | -170.2 | 65.2 | 0 | 0 | 0 | 111.5 | F409 L410 Q411 H415 A416 I417 L455 L463 A466 L467 | F409-L413 HydrophobicContact CE1-CD2 4.25Å; F409-L413 HydrophobicContact CZ-CD2 3.97Å; F409-L413 VanDerWaalsContact O-CB 3.3Å; F409-L413 WeakPolarHBondContact O-CB 3.43Å; F409-L413 PolarHBondContact O-N 3.2Å; L410-L413 PolarHBondContact O-N 3Å; Q411-L413 VanDerWaalsContact C-N 3.34Å; L413-H415 VanDerWaalsContact C-N 3.31Å; L413-H415 PolarHBondContact O-N 3.08Å; L413-A416 PolarHBondContact O-N 3.17Å; L413-I417 HydrophobicContact CG-CD1 4.24Å; L413-I417 VanDerWaalsContact O-CG1 3.32Å; L413-I417 WeakPolarHBondContact O-CG1 3.16Å; L413-I417 PolarHBondContact O-N 3.31Å; L413-L455 HydrophobicContact CD1-CD2 3.91Å; L413-L463 HydrophobicContact CD1-CB 4.07Å; L413-L463 HydrophobicContact CD1-CD2 3.65Å; L413-L463 HydrophobicContact CD1-CG 4.47Å; L413-A466 HydrophobicContact CD2-CB 4.27Å; L413-L467 VanDerWaalsContact CD2-CA 3.5Å; L413-L467 HydrophobicContact CD2-CB 3.63Å; L413-L467 HydrophobicContact CD2-CD1 3.98Å; L413-L467 HydrophobicContact CD2-CG 4.42Å; L413-L467 HydrophobicContact CG-CB 4.42Å |
| 414 | I | 95.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 175 | -77.8 | 167.2 | 0 | 0 | 0 | 110.6 | L410 A416 I417 E418 L467 L519 H523 | L410-I414 WeakPolarHBondContact O-CB 3.25Å; L410-I414 WeakPolarHBondContact O-CG1 3.44Å; L410-I414 PolarHBondContact O-N 3.46Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 2.91Å; I414-I417 PolarHBondContact O-N 2.91Å; I414-E418 HydrophobicContact CG2-CG 4.23Å; I414-E418 WeakPolarHBondContact O-CG 3.43Å; I414-E418 PolarHBondContact O-N 3.34Å; I414-L467 HydrophobicContact CG1-CD1 4.3Å; I414-L467 HydrophobicContact CG1-CD2 4.25Å; I414-L519 HydrophobicContact CD1-CD1 4.18Å; I414-L519 HydrophobicContact CD1-CD2 4.16Å; I414-L519 HydrophobicContact CD1-CG 3.73Å; I414-H523 HydrophobicContact CD1-CB 4.09Å; I414-H523 HydrophobicContact CG1-CB 4.24Å; I414-H523 HydrophobicContact CG2-CB 3.8Å |
| 415 | H | 94.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 37% | 0.366 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 177.5 | -178.8 | 86.9 | 0 | 0 | 0 | 112.8 | Q411 N412 L413 I417 E418 K419 K452 | Q411-H415 WeakPolarHBondContact O-CB 3.5Å; Q411-H415 PolarHBondContact O-N 2.94Å; N412-H415 PolarHBondContact O-N 2.77Å; L413-H415 VanDerWaalsContact C-N 3.31Å; L413-H415 PolarHBondContact O-N 3.08Å; H415-I417 VanDerWaalsContact C-N 3.33Å; H415-E418 PolarHBondContact O-N 3.03Å; H415-K419 WeakPolarHBondContact O-CB 3.5Å; H415-K419 PolarHBondContact O-N 2.85Å; H415-K419 VanDerWaalsContact O-N 3.13Å; H415-K452 WeakPolarHBondContact CD2-CE 3.5Å; H415-K452 PolarHBondContact CD2-NZ 3.29Å; H415-K452 VanDerWaalsContact CD2-NZ 3.25Å; H415-K452 PolarHBondContact CE1-NZ 3.09Å; H415-K452 VanDerWaalsContact CG-CE 3.45Å; H415-K452 WeakPolarHBondContact NE2-CE 3.38Å; H415-K452 PolarHBondContact NE2-NZ 3.05Å; H415-K452 VanDerWaalsContact NE2-NZ 3.11Å |
| 416 | A | 94.2 | Very high | 92.9 | Very high | 8 Ų | 8 | 49 Ų | 49 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N412 L413 I414 L455 L463 | N412-A416 PolarHBondContact O-N 3.03Å; L413-A416 PolarHBondContact O-N 3.17Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 2.91Å; A416-L455 HydrophobicContact CB-CB 4.22Å; A416-L463 HydrophobicContact CB-CD1 4Å |
| 417 | I | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.1 | -47.7 | 175.9 | -66.8 | 167.8 | 0 | 0 | 0 | 111 | L413 I414 H415 K419 G421 I427 Y428 L460 L463 T464 L467 | L413-I417 HydrophobicContact CG-CD1 4.24Å; L413-I417 VanDerWaalsContact O-CG1 3.32Å; L413-I417 WeakPolarHBondContact O-CG1 3.16Å; L413-I417 PolarHBondContact O-N 3.31Å; I414-I417 PolarHBondContact O-N 2.91Å; H415-I417 VanDerWaalsContact C-N 3.33Å; I417-K419 VanDerWaalsContact C-N 3.29Å; I417-K419 PolarHBondContact O-N 3.29Å; I417-G421 WeakPolarHBondContact O-CA 3.25Å; I417-G421 PolarHBondContact O-N 3.35Å; I417-I427 HydrophobicContact CG2-CD1 3.73Å; I417-Y428 HydrophobicContact CD1-CE1 4.5Å; I417-Y428 WeakPolarHBondContact CD1-OH 3.36Å; I417-L460 HydrophobicContact CB-CD1 4.46Å; I417-L460 HydrophobicContact CG1-CD1 4.34Å; I417-L460 HydrophobicContact CG2-CD1 4.1Å; I417-L463 HydrophobicContact CD1-CB 4.18Å; I417-L463 HydrophobicContact CG1-CB 3.76Å; I417-L463 HydrophobicContact CG1-CD1 4.42Å; I417-T464 HydrophobicContact CD1-CG2 4.12Å; I417-T464 HydrophobicContact CG1-CG2 4.34Å; I417-T464 HydrophobicContact CG2-CG2 4.28Å; I417-L467 HydrophobicContact CD1-CB 4.39Å; I417-L467 HydrophobicContact CD1-CD2 4.24Å |
| 418 | E | 95.3 | Very high | 93.4 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 22% | 0.22 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -34.9 | -178.4 | -73.5 | 179.4 | 166.8 | 0 | 0 | 112.7 | I414 H415 N420 R522 H523 | I414-E418 HydrophobicContact CG2-CG 4.23Å; I414-E418 WeakPolarHBondContact O-CG 3.43Å; I414-E418 PolarHBondContact O-N 3.34Å; H415-E418 PolarHBondContact O-N 3.03Å; E418-N420 PolarHBondContact O-N 3.31Å; E418-R522 IonicContact OE1-NH1 3.25Å; E418-H523 VanDerWaalsContact CG-CE1 3.47Å; E418-H523 WeakPolarHBondContact CG-CE1 3.34Å; E418-H523 WeakPolarHBondContact CG-ND1 3.4Å; E418-H523 IonicContact OE1-CE1 3.49Å; E418-H523 IonicContact OE1-CG 2.74Å; E418-H523 IonicContact OE1-ND1 3.59Å; E418-H523 PolarHBondContact OE1-ND1 3.04Å |
| 419 | K | 91.6 | Very high | 93.4 | Very high | 136 Ų | 136 | 46.8 Ų | 46.8 | 59% | 0.591 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.3 | -42.1 | -176.5 | -167.9 | -175.1 | 175.9 | -178 | 0 | 113.1 | H415 I417 | H415-K419 WeakPolarHBondContact O-CB 3.5Å; H415-K419 PolarHBondContact O-N 2.85Å; H415-K419 VanDerWaalsContact O-N 3.13Å; I417-K419 VanDerWaalsContact C-N 3.29Å; I417-K419 PolarHBondContact O-N 3.29Å |
| 420 | N | 85.9 | Confident | 93.2 | Very high | 126 Ų | 126 | 50.2 Ų | 50.2 | 67% | 0.674 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -131.7 | -6.1 | -170.4 | -67.4 | -6.9 | 0 | 0 | 0 | 114.3 | E418 | E418-N420 PolarHBondContact O-N 3.31Å |
| 421 | G | 90.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -18.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | I417 Q423 V424 I427 L460 | I417-G421 WeakPolarHBondContact O-CA 3.25Å; I417-G421 PolarHBondContact O-N 3.35Å; G421-Q423 PolarHBondContact O-N 3.01Å; G421-Q423 VanDerWaalsContact O-N 3.07Å; G421-V424 WeakPolarHBondContact O-CB 3.47Å; G421-V424 PolarHBondContact O-N 3.5Å; G421-I427 VanDerWaalsContact O-CD1 3.28Å; G421-I427 WeakPolarHBondContact O-CD1 3.37Å; G421-L460 VanDerWaalsContact CA-CD2 3.49Å |
| 422 | I | 94.2 | Very high | 92.3 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -24.2 | -165.7 | -155.2 | 166.1 | 0 | 0 | 0 | 114.3 | S526 V527 Y530 N534 | I422-S526 WeakPolarHBondContact CD1-OG 3.34Å; I422-V527 HydrophobicContact CG1-CB 4.47Å; I422-V527 HydrophobicContact CG1-CG2 4.06Å; I422-Y530 HydrophobicContact CD1-CD2 3.72Å; I422-Y530 HydrophobicContact CD1-CE2 3.87Å; I422-Y530 HydrophobicContact CG1-CD2 3.78Å; I422-Y530 HydrophobicContact CG1-CE2 4.32Å; I422-Y530 HydrophobicContact CG1-CG 4.49Å; I422-Y530 HydrophobicContact CG2-CD2 4.03Å; I422-Y530 HydrophobicContact CG2-CE2 4.09Å; I422-Y530 HydrophobicContact CG2-CG 4.42Å; I422-N534 PolarHBondContact O-ND2 2.93Å |
| 423 | Q | 93.8 | Very high | 92 | Very high | 107 Ų | 107 | 53.5 Ų | 53.5 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -2.6 | 179.8 | -54.3 | -178.6 | 7.7 | 0 | 0 | 112.8 | G421 E425 Y530 M533 | G421-Q423 PolarHBondContact O-N 3.01Å; G421-Q423 VanDerWaalsContact O-N 3.07Å; Q423-E425 PolarHBondContact O-N 3.08Å; Q423-Y530 HydrophobicContact CG-CD1 4.01Å; Q423-Y530 HydrophobicContact CG-CE1 4.33Å; Q423-Y530 HydrophobicContact CG-CG 4.47Å; Q423-M533 HydrophobicContact CB-CE 4.13Å; Q423-M533 VanDerWaalsContact CD-CE 3.47Å; Q423-M533 HydrophobicContact CG-CE 3.64Å |
| 424 | V | 95.3 | Very high | 91.5 | Very high | 69 Ų | 69 | 62.5 Ų | 62.5 | 42% | 0.418 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -73.2 | 125.6 | -177.6 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | G421 G426 I427 L460 N534 | G421-V424 WeakPolarHBondContact O-CB 3.47Å; G421-V424 PolarHBondContact O-N 3.5Å; V424-G426 PolarHBondContact O-N 2.79Å; V424-I427 WeakPolarHBondContact O-CB 3.47Å; V424-I427 PolarHBondContact O-N 3.31Å; V424-L460 HydrophobicContact CB-CD2 3.71Å; V424-L460 HydrophobicContact CG1-CD2 3.95Å; V424-L460 HydrophobicContact CG2-CD2 3.64Å; V424-N534 WeakPolarHBondContact O-CB 3.38Å |
| 425 | E | 94.2 | Very high | 91.2 | Very high | 135 Ų | 135 | 66.4 Ų | 66.4 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 132.3 | 176.8 | -176.7 | 176.1 | 176.9 | 0 | 0 | 112.3 | Q423 I427 H535 | Q423-E425 PolarHBondContact O-N 3.08Å; E425-I427 PolarHBondContact O-N 3.29Å; E425-H535 IonicContact OE1-CD2 3.07Å |
| 426 | G | 92.2 | Very high | 91.1 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 22 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V424 Y428 R429 T430 N534 | V424-G426 PolarHBondContact O-N 2.79Å; G426-Y428 PolarHBondContact O-N 3.44Å; G426-R429 WeakPolarHBondContact O-CA 3.33Å; G426-R429 WeakPolarHBondContact O-CB 3.46Å; G426-R429 PolarHBondContact O-N 2.89Å; G426-T430 PolarHBondContact O-N 3.34Å; G426-N534 PolarHBondContact N-O 2.88Å |
| 427 | I | 95.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | 134.5 | 173 | -174.6 | 172.8 | 0 | 0 | 0 | 110.3 | I417 G421 V424 E425 R429 L460 T464 V527 N534 M536 | I417-I427 HydrophobicContact CG2-CD1 3.73Å; G421-I427 VanDerWaalsContact O-CD1 3.28Å; G421-I427 WeakPolarHBondContact O-CD1 3.37Å; V424-I427 WeakPolarHBondContact O-CB 3.47Å; V424-I427 PolarHBondContact O-N 3.31Å; E425-I427 PolarHBondContact O-N 3.29Å; I427-R429 PolarHBondContact O-N 2.97Å; I427-L460 HydrophobicContact CD1-CD1 4.42Å; I427-T464 HydrophobicContact CD1-CG2 4.16Å; I427-T464 HydrophobicContact CG1-CG2 3.81Å; I427-V527 HydrophobicContact CG2-CG1 3.66Å; I427-N534 HydrophobicContact CG2-CB 4.2Å; I427-M536 HydrophobicContact CG2-CB 4.39Å; I427-M536 HydrophobicContact CG2-CG 3.91Å; I427-M536 WeakPolarHBondContact O-CG 3.39Å |
| 428 | Y | 95.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 0% | 0.004 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | -16.4 | -170.4 | -60.5 | -73.1 | 0 | 0 | 0 | 117.7 | I417 G426 T464 L467 K468 H523 L524 V527 L541 F545 | I417-Y428 HydrophobicContact CD1-CE1 4.5Å; I417-Y428 WeakPolarHBondContact CD1-OH 3.36Å; G426-Y428 PolarHBondContact O-N 3.44Å; Y428-T464 HydrophobicContact CD1-CG2 3.83Å; Y428-T464 HydrophobicContact CE1-CG2 3.59Å; Y428-T464 HydrophobicContact CE2-CG2 4.42Å; Y428-T464 HydrophobicContact CG-CG2 4.33Å; Y428-L467 HydrophobicContact CE1-CB 4.47Å; Y428-L467 HydrophobicContact CE1-CD2 3.79Å; Y428-L467 WeakPolarHBondContact OH-CD2 3.32Å; Y428-K468 HydrophobicContact CD1-CD 4.15Å; Y428-K468 HydrophobicContact CD1-CG 4.14Å; Y428-K468 PolarHBondContact O-NZ 2.79Å; Y428-H523 AromaticContact CE2-NE2 3.68Å; Y428-H523 AromaticContact CZ-NE2 3.63Å; Y428-H523 PolarHBondContact OH-CD2 2.87Å; Y428-H523 VanDerWaalsContact OH-CD2 3.24Å; Y428-H523 PolarHBondContact OH-NE2 3.47Å; Y428-L524 HydrophobicContact CE2-CD2 4.33Å; Y428-V527 HydrophobicContact CE2-CG2 4.21Å; Y428-L541 HydrophobicContact CD2-CD2 4.12Å; Y428-F545 AromaticContact CD1-CE2 3.71Å; Y428-F545 HydrophobicContact CD1-CE2 3.71Å; Y428-F545 AromaticContact CD1-CZ 3.51Å; Y428-F545 HydrophobicContact CD1-CZ 3.51Å; Y428-F545 AromaticContact CD2-CE2 3.92Å; Y428-F545 HydrophobicContact CD2-CE2 3.92Å; Y428-F545 HydrophobicContact CD2-CZ 4.29Å; Y428-F545 HydrophobicContact CE1-CE2 4.09Å; Y428-F545 AromaticContact CE1-CZ 3.51Å; Y428-F545 HydrophobicContact CE1-CZ 3.51Å; Y428-F545 HydrophobicContact CE2-CE2 4.28Å; Y428-F545 HydrophobicContact CE2-CZ 4.28Å; Y428-F545 AromaticContact CG-CE2 3.63Å; Y428-F545 HydrophobicContact CG-CE2 3.63Å; Y428-F545 AromaticContact CG-CZ 3.92Å; Y428-F545 HydrophobicContact CG-CZ 3.92Å; Y428-F545 AromaticContact CZ-CZ 3.9Å |
| 429 | R | 90.8 | Very high | 90.3 | Very high | 100 Ų | 100 | 69.9 Ų | 69.9 | 38% | 0.377 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -31.9 | 170.5 | -65.3 | -176.4 | 83.4 | 164.2 | 6.1 | 112 | E245 G426 I427 M536 V544 | E245-R429 VanDerWaalsContact CD-NH2 3.28Å; E245-R429 IonicContact OE1-CZ 3.15Å; E245-R429 IonicContact OE1-NH1 3.6Å; E245-R429 PolarHBondContact OE1-NH1 3.33Å; E245-R429 IonicContact OE1-NH2 3.54Å; E245-R429 PolarHBondContact OE1-NH2 3.12Å; E245-R429 VanDerWaalsContact OE1-NH2 3.08Å; E245-R429 IonicContact OE2-NH1 2.81Å; E245-R429 IonicContact OE2-NH2 2.66Å; G426-R429 WeakPolarHBondContact O-CA 3.33Å; G426-R429 WeakPolarHBondContact O-CB 3.46Å; G426-R429 PolarHBondContact O-N 2.89Å; I427-R429 PolarHBondContact O-N 2.97Å; R429-M536 WeakPolarHBondContact CD-SD 3.33Å; R429-M536 HydrophobicContact CG-CE 3.73Å; R429-M536 HydrophobicContact CG-SD 3.69Å; R429-V544 HydrophobicContact CG-CG2 4.02Å |
| 430 | T | 87 | Confident | 90.2 | Very high | 83 Ų | 83 | 63.4 Ų | 63.4 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -73.6 | 128.9 | 175.3 | -42.9 | 0 | 0 | 0 | 0 | 111.7 | G426 C461 | G426-T430 PolarHBondContact O-N 3.34Å; T430-C461 HydrophobicContact CG2-CB 4.43Å |
| 431 | C | 82.4 | Confident | 90.4 | Very high | 106 Ų | 106 | 57.6 Ų | 57.6 | 72% | 0.716 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 127.8 | 178.8 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 432 | G | 85.1 | Confident | 90.2 | Very high | 12 Ų | 12 | 65.4 Ų | 65.4 | 12% | 0.124 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 164.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K434 C461 | G432-K434 PolarHBondContact O-N 3.47Å; G432-C461 WeakPolarHBondContact CA-O 3.4Å; G432-C461 PolarHBondContact N-O 3.3Å |
| 433 | V | 87.6 | Confident | 89.9 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 118.1 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 110 | S435 K436 V437 | V433-S435 VanDerWaalsContact C-N 3.3Å; V433-S435 WeakPolarHBondContact CG1-OG 3.44Å; V433-S435 PolarHBondContact O-N 3.49Å; V433-K436 HydrophobicContact CB-CB 4.24Å; V433-K436 HydrophobicContact CB-CD 4.16Å; V433-K436 HydrophobicContact CB-CG 4.04Å; V433-K436 HydrophobicContact CG1-CG 4.23Å; V433-K436 HydrophobicContact CG2-CD 4.47Å; V433-K436 WeakPolarHBondContact O-CB 3.41Å; V433-K436 PolarHBondContact O-N 3.18Å; V433-V437 PolarHBondContact O-N 3.23Å |
| 434 | K | 84.7 | Confident | 89.5 | Confident | 189 Ų | 189 | 63.8 Ų | 63.8 | 82% | 0.822 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.1 | -42.1 | -174 | -68.6 | -175.7 | 179.1 | -179.2 | 0 | 113.4 | G432 V437 A438 | G432-K434 PolarHBondContact O-N 3.47Å; K434-V437 PolarHBondContact O-N 3.32Å; K434-A438 WeakPolarHBondContact O-CB 3.41Å; K434-A438 PolarHBondContact O-N 3.08Å |
| 435 | S | 88.7 | Confident | 88.8 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 60% | 0.601 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.9 | -38.7 | 179.2 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | V433 A438 S439 | V433-S435 VanDerWaalsContact C-N 3.3Å; V433-S435 WeakPolarHBondContact CG1-OG 3.44Å; V433-S435 PolarHBondContact O-N 3.49Å; S435-A438 PolarHBondContact O-N 3.11Å; S435-S439 WeakPolarHBondContact O-CB 3.46Å; S435-S439 PolarHBondContact O-N 3.03Å |
| 436 | K | 91.6 | Very high | 88.3 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 173.4 | -67.5 | -172 | -173.6 | 178 | 0 | 110.9 | V433 S439 L440 E459 V462 | V433-K436 HydrophobicContact CB-CB 4.24Å; V433-K436 HydrophobicContact CB-CD 4.16Å; V433-K436 HydrophobicContact CB-CG 4.04Å; V433-K436 HydrophobicContact CG1-CG 4.23Å; V433-K436 HydrophobicContact CG2-CD 4.47Å; V433-K436 WeakPolarHBondContact O-CB 3.41Å; V433-K436 PolarHBondContact O-N 3.18Å; K436-S439 PolarHBondContact O-N 3.08Å; K436-L440 WeakPolarHBondContact O-CB 3.18Å; K436-L440 PolarHBondContact O-N 3.47Å; K436-E459 VanDerWaalsContact NZ-CD 3.29Å; K436-E459 IonicContact NZ-OE1 3.95Å; K436-E459 PolarHBondContact NZ-OE1 3.42Å; K436-E459 IonicContact NZ-OE2 3.01Å; K436-E459 PolarHBondContact NZ-OE2 3.07Å; K436-V462 HydrophobicContact CB-CG1 4.04Å; K436-V462 HydrophobicContact CB-CG2 4.1Å; K436-V462 HydrophobicContact CD-CG2 3.99Å |
| 437 | V | 90.8 | Very high | 87.7 | Confident | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | V433 K434 L440 I441 V462 A466 | V433-V437 PolarHBondContact O-N 3.23Å; K434-V437 PolarHBondContact O-N 3.32Å; V437-L440 PolarHBondContact O-N 2.87Å; V437-I441 HydrophobicContact CG1-CD1 4.13Å; V437-I441 WeakPolarHBondContact O-CG1 3.5Å; V437-I441 PolarHBondContact O-N 3.48Å; V437-V462 HydrophobicContact CG2-CG1 4.12Å; V437-A466 HydrophobicContact CG1-CB 4.27Å |
| 438 | A | 88.2 | Confident | 87 | Confident | 54 Ų | 54 | 70 Ų | 70 | 45% | 0.446 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K434 S435 L440 I441 K442 | K434-A438 WeakPolarHBondContact O-CB 3.41Å; K434-A438 PolarHBondContact O-N 3.08Å; S435-A438 PolarHBondContact O-N 3.11Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.04Å; A438-I441 PolarHBondContact O-N 3.19Å; A438-K442 WeakPolarHBondContact O-CB 3.49Å; A438-K442 PolarHBondContact O-N 3.27Å |
| 439 | S | 89.9 | Confident | 86.4 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | S435 K436 K442 Q443 | S435-S439 WeakPolarHBondContact O-CB 3.46Å; S435-S439 PolarHBondContact O-N 3.03Å; K436-S439 PolarHBondContact O-N 3.08Å; S439-K442 PolarHBondContact O-N 3.43Å; S439-Q443 VanDerWaalsContact O-CG 3.31Å; S439-Q443 WeakPolarHBondContact O-CG 3.38Å; S439-Q443 PolarHBondContact O-N 3.35Å; S439-Q443 PolarHBondContact OG-NE2 2.83Å |
| 440 | L | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.9 | 177.6 | 56.2 | 0 | 0 | 0 | 111.9 | K436 V437 A438 K442 Q443 A444 I450 L455 Y458 V462 L463 A466 | K436-L440 WeakPolarHBondContact O-CB 3.18Å; K436-L440 PolarHBondContact O-N 3.47Å; V437-L440 PolarHBondContact O-N 2.87Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.04Å; L440-K442 PolarHBondContact O-N 3.26Å; L440-Q443 PolarHBondContact O-N 2.75Å; L440-A444 PolarHBondContact O-N 2.85Å; L440-I450 HydrophobicContact CD1-CD1 3.35Å; L440-L455 HydrophobicContact CD1-CD2 3.9Å; L440-L455 HydrophobicContact CD2-CD2 4.36Å; L440-Y458 HydrophobicContact CB-CE1 4.4Å; L440-Y458 HydrophobicContact CD1-CD2 4.46Å; L440-Y458 HydrophobicContact CD1-CE1 4.32Å; L440-Y458 HydrophobicContact CD1-CE2 4Å; L440-Y458 HydrophobicContact CD2-CD1 4.28Å; L440-Y458 HydrophobicContact CD2-CE1 4.46Å; L440-Y458 HydrophobicContact CD2-CG 4.44Å; L440-V462 HydrophobicContact CD2-CG1 4.11Å; L440-L463 HydrophobicContact CD2-CD2 4.14Å; L440-A466 HydrophobicContact CD2-CB 3.73Å; L440-A466 HydrophobicContact CG-CB 4.27Å |
| 441 | I | 88.5 | Confident | 86 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.1 | -68.6 | 169.4 | 0 | 0 | 0 | 110.8 | I400 V437 A438 Q443 A444 L445 A466 F470 | I400-I441 HydrophobicContact CD1-CG2 4.39Å; V437-I441 HydrophobicContact CG1-CD1 4.13Å; V437-I441 WeakPolarHBondContact O-CG1 3.5Å; V437-I441 PolarHBondContact O-N 3.48Å; A438-I441 PolarHBondContact O-N 3.19Å; I441-Q443 VanDerWaalsContact C-N 3.32Å; I441-Q443 PolarHBondContact O-N 3Å; I441-A444 WeakPolarHBondContact O-CB 3.28Å; I441-A444 PolarHBondContact O-N 3.08Å; I441-L445 HydrophobicContact CG2-CD1 3.85Å; I441-L445 HydrophobicContact CG2-CG 4.42Å; I441-L445 WeakPolarHBondContact O-CG 3.3Å; I441-L445 PolarHBondContact O-N 3.24Å; I441-A466 HydrophobicContact CG1-CB 4.35Å; I441-F470 HydrophobicContact CD1-CB 4.3Å; I441-F470 HydrophobicContact CG1-CB 4.45Å; I441-F470 HydrophobicContact CG2-CD2 4.18Å |
| 442 | K | 87.6 | Confident | 86.1 | Confident | 165 Ų | 165 | 66 Ų | 66 | 72% | 0.717 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.8 | -40.2 | 177.2 | -172.9 | 176.6 | -178 | 175.5 | 0 | 112.4 | A438 S439 L440 L445 S446 | A438-K442 WeakPolarHBondContact O-CB 3.49Å; A438-K442 PolarHBondContact O-N 3.27Å; S439-K442 PolarHBondContact O-N 3.43Å; L440-K442 PolarHBondContact O-N 3.26Å; K442-L445 PolarHBondContact O-N 3.48Å; K442-S446 PolarHBondContact O-N 2.83Å; K442-S446 VanDerWaalsContact O-N 3.16Å |
| 443 | Q | 87.2 | Confident | 86.1 | Confident | 75 Ų | 75 | 68.8 Ų | 68.8 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 175.2 | -72.5 | 176.4 | 44.5 | 0 | 0 | 111.6 | S439 L440 I441 L445 S446 | S439-Q443 VanDerWaalsContact O-CG 3.31Å; S439-Q443 WeakPolarHBondContact O-CG 3.38Å; S439-Q443 PolarHBondContact O-N 3.35Å; S439-Q443 PolarHBondContact OG-NE2 2.83Å; L440-Q443 PolarHBondContact O-N 2.75Å; I441-Q443 VanDerWaalsContact C-N 3.32Å; I441-Q443 PolarHBondContact O-N 3Å; Q443-L445 VanDerWaalsContact C-N 3.3Å; Q443-L445 PolarHBondContact O-N 2.91Å; Q443-S446 VanDerWaalsContact O-CB 3.32Å; Q443-S446 WeakPolarHBondContact O-CB 3.42Å; Q443-S446 PolarHBondContact O-N 2.79Å; Q443-S446 PolarHBondContact O-OG 2.81Å |
| 444 | A | 84.7 | Confident | 86.1 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 12% | 0.124 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F409 L440 I441 S446 I450 | F409-A444 HydrophobicContact CD1-CB 3.97Å; F409-A444 HydrophobicContact CD2-CB 3.37Å; F409-A444 HydrophobicContact CE1-CB 3.96Å; F409-A444 HydrophobicContact CE2-CB 3.35Å; F409-A444 HydrophobicContact CG-CB 3.68Å; F409-A444 HydrophobicContact CZ-CB 3.65Å; L440-A444 PolarHBondContact O-N 2.85Å; I441-A444 WeakPolarHBondContact O-CB 3.28Å; I441-A444 PolarHBondContact O-N 3.08Å; A444-S446 VanDerWaalsContact C-N 3.33Å; A444-I450 HydrophobicContact CB-CG2 4.05Å |
| 445 | L | 82.1 | Confident | 86.3 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 42% | 0.424 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -81.2 | -11.2 | 177.5 | -64.5 | 171.9 | 0 | 0 | 0 | 113.7 | I400 I441 K442 Q443 F470 | I400-L445 HydrophobicContact CD1-CD1 3.59Å; I400-L445 HydrophobicContact CG1-CD1 3.72Å; I400-L445 HydrophobicContact CG1-CD2 4.49Å; I400-L445 HydrophobicContact CG2-CD2 4.04Å; I441-L445 HydrophobicContact CG2-CD1 3.85Å; I441-L445 HydrophobicContact CG2-CG 4.42Å; I441-L445 WeakPolarHBondContact O-CG 3.3Å; I441-L445 PolarHBondContact O-N 3.24Å; K442-L445 PolarHBondContact O-N 3.48Å; Q443-L445 VanDerWaalsContact C-N 3.3Å; Q443-L445 PolarHBondContact O-N 2.91Å; L445-F470 HydrophobicContact CD2-CE2 3.99Å |
| 446 | S | 84 | Confident | 86.2 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -64.1 | 154.8 | 176.7 | 76.1 | 0 | 0 | 0 | 0 | 111.3 | K442 Q443 A444 S448 G449 | K442-S446 PolarHBondContact O-N 2.83Å; K442-S446 VanDerWaalsContact O-N 3.16Å; Q443-S446 VanDerWaalsContact O-CB 3.32Å; Q443-S446 WeakPolarHBondContact O-CB 3.42Å; Q443-S446 PolarHBondContact O-N 2.79Å; Q443-S446 PolarHBondContact O-OG 2.81Å; A444-S446 VanDerWaalsContact C-N 3.33Å; S446-S448 PolarHBondContact O-N 2.84Å; S446-S448 VanDerWaalsContact O-N 3.09Å; S446-S448 PolarHBondContact OG-OG 3.23Å; S446-G449 PolarHBondContact O-N 2.85Å; S446-G449 PolarHBondContact OG-N 2.81Å |
| 447 | P | 79.4 | Confident | 86.1 | Confident | 126 Ų | 126 | 59.7 Ų | 59.7 | 82% | 0.818 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.9 | 179.2 | -27.4 | 34.9 | 0 | 0 | 0 | 114.3 | G449 | P447-G449 VanDerWaalsContact C-N 3.34Š|
| 448 | S | 80.8 | Confident | 86.2 | Confident | 109 Ų | 109 | 62.2 Ų | 62.2 | 76% | 0.762 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -17.8 | 176.3 | 43.7 | 0 | 0 | 0 | 0 | 114.2 | S446 | S446-S448 PolarHBondContact O-N 2.84Å; S446-S448 VanDerWaalsContact O-N 3.09Å; S446-S448 PolarHBondContact OG-OG 3.23Å |
| 449 | G | 82.9 | Confident | 86.4 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | trans | 60 | -163.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S446 P447 | S446-G449 PolarHBondContact O-N 2.85Å; S446-G449 PolarHBondContact OG-N 2.81Å; P447-G449 VanDerWaalsContact C-N 3.34Å | ||
| 450 | I | 85.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | trans | -126.5 | 133 | 173 | -171.4 | 170.1 | 0 | 0 | 0 | 110.3 | F409 L440 A444 T454 L455 Y458 | F409-I450 HydrophobicContact CD2-CG2 3.84Å; F409-I450 HydrophobicContact CE2-CG2 3.98Å; L440-I450 HydrophobicContact CD1-CD1 3.35Å; A444-I450 HydrophobicContact CB-CG2 4.05Å; I450-T454 HydrophobicContact CD1-CG2 4.04Å; I450-T454 HydrophobicContact CG1-CG2 4.09Å; I450-L455 HydrophobicContact CD1-CD2 3.98Å; I450-L455 HydrophobicContact CD1-CG 4.07Å; I450-L455 HydrophobicContact CG1-CG 4.27Å; I450-L455 HydrophobicContact CG2-CD1 4.16Å; I450-L455 HydrophobicContact CG2-CD2 4.29Å; I450-L455 HydrophobicContact CG2-CG 4.16Å; I450-Y458 HydrophobicContact CD1-CE2 4.1Å | ||
| 451 | S | 84.7 | Confident | 86.8 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | trans | -73.4 | 149.6 | 179.3 | 89.6 | 0 | 0 | 0 | 0 | 111.8 | A453 T454 L455 | S451-A453 PolarHBondContact O-N 2.61Å; S451-T454 WeakPolarHBondContact O-CB 3.33Å; S451-T454 PolarHBondContact O-N 3.1Å; S451-T454 VanDerWaalsContact O-N 3.1Å; S451-T454 PolarHBondContact OG-N 2.75Å; S451-T454 VanDerWaalsContact OG-N 3.16Å; S451-T454 PolarHBondContact OG-OG1 3.09Å; S451-L455 PolarHBondContact O-N 3.3Å; S451-L455 VanDerWaalsContact O-N 3.15Å | ||
| 452 | K | 84.3 | Confident | 87 | Confident | 89 Ų | 89 | 65 Ų | 65 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.7 | -33.5 | 175 | -169.9 | 176.3 | -179 | 178.9 | 0 | 113.4 | H415 S456 | H415-K452 WeakPolarHBondContact CD2-CE 3.5Å; H415-K452 PolarHBondContact CD2-NZ 3.29Å; H415-K452 VanDerWaalsContact CD2-NZ 3.25Å; H415-K452 PolarHBondContact CE1-NZ 3.09Å; H415-K452 VanDerWaalsContact CG-CE 3.45Å; H415-K452 WeakPolarHBondContact NE2-CE 3.38Å; H415-K452 PolarHBondContact NE2-NZ 3.05Å; H415-K452 VanDerWaalsContact NE2-NZ 3.11Å; K452-S456 PolarHBondContact O-N 2.82Å; K452-S456 PolarHBondContact O-OG 2.82Å |
| 453 | A | 84.1 | Confident | 87.4 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 59% | 0.587 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.9 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S451 L455 S456 | S451-A453 PolarHBondContact O-N 2.61Å; A453-L455 PolarHBondContact O-N 3.02Å; A453-S456 WeakPolarHBondContact O-CB 3.31Å; A453-S456 PolarHBondContact O-N 2.66Å |
| 454 | T | 87.5 | Confident | 87.8 | Confident | 56 Ų | 56 | 54 Ų | 54 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.9 | -47.4 | 0 | 0 | 0 | 0 | 111.6 | I450 S451 S456 N457 Y458 | I450-T454 HydrophobicContact CD1-CG2 4.04Å; I450-T454 HydrophobicContact CG1-CG2 4.09Å; S451-T454 WeakPolarHBondContact O-CB 3.33Å; S451-T454 PolarHBondContact O-N 3.1Å; S451-T454 VanDerWaalsContact O-N 3.1Å; S451-T454 PolarHBondContact OG-N 2.75Å; S451-T454 VanDerWaalsContact OG-N 3.16Å; S451-T454 PolarHBondContact OG-OG1 3.09Å; T454-S456 PolarHBondContact O-N 3.46Å; T454-N457 WeakPolarHBondContact O-CB 3.44Å; T454-N457 PolarHBondContact O-N 2.86Å; T454-N457 VanDerWaalsContact O-N 3.15Å; T454-Y458 HydrophobicContact CG2-CE2 4.3Å; T454-Y458 WeakPolarHBondContact O-CD2 3.28Å |
| 455 | L | 90.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.2 | -33.5 | 177 | -78.6 | 167 | 0 | 0 | 0 | 113.1 | F409 N412 L413 A416 L440 I450 S451 A453 N457 Y458 L463 | F409-L455 HydrophobicContact CE2-CD2 4.33Å; N412-L455 HydrophobicContact CB-CD1 3.61Å; L413-L455 HydrophobicContact CD1-CD2 3.91Å; A416-L455 HydrophobicContact CB-CB 4.22Å; L440-L455 HydrophobicContact CD1-CD2 3.9Å; L440-L455 HydrophobicContact CD2-CD2 4.36Å; I450-L455 HydrophobicContact CD1-CD2 3.98Å; I450-L455 HydrophobicContact CD1-CG 4.07Å; I450-L455 HydrophobicContact CG1-CG 4.27Å; I450-L455 HydrophobicContact CG2-CD1 4.16Å; I450-L455 HydrophobicContact CG2-CD2 4.29Å; I450-L455 HydrophobicContact CG2-CG 4.16Å; S451-L455 PolarHBondContact O-N 3.3Å; S451-L455 VanDerWaalsContact O-N 3.15Å; A453-L455 PolarHBondContact O-N 3.02Å; L455-N457 PolarHBondContact O-N 2.91Å; L455-Y458 PolarHBondContact O-N 3.39Å; L455-L463 HydrophobicContact CD2-CD2 4.01Å |
| 456 | S | 86.3 | Confident | 88.8 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.8 | -179.6 | -59 | 0 | 0 | 0 | 0 | 113.5 | K452 A453 T454 | K452-S456 PolarHBondContact O-N 2.82Å; K452-S456 PolarHBondContact O-OG 2.82Å; A453-S456 WeakPolarHBondContact O-CB 3.31Å; A453-S456 PolarHBondContact O-N 2.66Å; T454-S456 PolarHBondContact O-N 3.46Å |
| 457 | N | 89.5 | Confident | 89.4 | Confident | 139 Ų | 139 | 48.2 Ų | 48.2 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -6.2 | 180 | -62.7 | -20.1 | 0 | 0 | 0 | 113.3 | T454 L455 | T454-N457 WeakPolarHBondContact O-CB 3.44Å; T454-N457 PolarHBondContact O-N 2.86Å; T454-N457 VanDerWaalsContact O-N 3.15Å; L455-N457 PolarHBondContact O-N 2.91Å |
| 458 | Y | 92.1 | Very high | 90.1 | Very high | 62 Ų | 62 | 44 Ų | 44 | 24% | 0.243 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -86.6 | 149.3 | 179.5 | -78.4 | -95.6 | 0 | 0 | 0 | 112 | L440 I450 T454 L455 V462 L463 | L440-Y458 HydrophobicContact CB-CE1 4.4Å; L440-Y458 HydrophobicContact CD1-CD2 4.46Å; L440-Y458 HydrophobicContact CD1-CE1 4.32Å; L440-Y458 HydrophobicContact CD1-CE2 4Å; L440-Y458 HydrophobicContact CD2-CD1 4.28Å; L440-Y458 HydrophobicContact CD2-CE1 4.46Å; L440-Y458 HydrophobicContact CD2-CG 4.44Å; I450-Y458 HydrophobicContact CD1-CE2 4.1Å; T454-Y458 HydrophobicContact CG2-CE2 4.3Å; T454-Y458 WeakPolarHBondContact O-CD2 3.28Å; L455-Y458 PolarHBondContact O-N 3.39Å; Y458-V462 HydrophobicContact CD1-CG1 3.89Å; Y458-L463 HydrophobicContact CG-CD2 4.41Å |
| 459 | E | 93.3 | Very high | 90.5 | Very high | 97 Ų | 97 | 40.4 Ų | 40.4 | 45% | 0.453 | 24% | 0.238 | S | C | . | . | trans | -59.3 | 139.5 | 172 | -65.6 | 158.6 | 175.8 | 0 | 0 | 110.7 | K436 C461 V462 L463 | K436-E459 VanDerWaalsContact NZ-CD 3.29Å; K436-E459 IonicContact NZ-OE1 3.95Å; K436-E459 PolarHBondContact NZ-OE1 3.42Å; K436-E459 IonicContact NZ-OE2 3.01Å; K436-E459 PolarHBondContact NZ-OE2 3.07Å; E459-C461 VanDerWaalsContact C-N 3.26Å; E459-C461 PolarHBondContact O-N 2.92Å; E459-V462 HydrophobicContact CB-CB 4.47Å; E459-V462 HydrophobicContact CB-CG2 4.08Å; E459-V462 WeakPolarHBondContact O-CA 3.22Å; E459-V462 WeakPolarHBondContact O-CB 3.47Å; E459-V462 PolarHBondContact O-N 3.4Å; E459-L463 PolarHBondContact O-N 3.1Å | ||
| 460 | L | 94.3 | Very high | 91 | Very high | 43 Ų | 43 | 39 Ų | 39 | 23% | 0.225 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.2 | -39.5 | -179.1 | 179.2 | 64.3 | 0 | 0 | 0 | 113.1 | I417 G421 V424 I427 V462 L463 T464 | I417-L460 HydrophobicContact CB-CD1 4.46Å; I417-L460 HydrophobicContact CG1-CD1 4.34Å; I417-L460 HydrophobicContact CG2-CD1 4.1Å; G421-L460 VanDerWaalsContact CA-CD2 3.49Å; V424-L460 HydrophobicContact CB-CD2 3.71Å; V424-L460 HydrophobicContact CG1-CD2 3.95Å; V424-L460 HydrophobicContact CG2-CD2 3.64Å; I427-L460 HydrophobicContact CD1-CD1 4.42Å; L460-V462 VanDerWaalsContact C-N 3.26Å; L460-V462 PolarHBondContact O-N 3.31Å; L460-L463 PolarHBondContact O-N 3.03Å; L460-T464 HydrophobicContact CD1-CG2 3.99Å; L460-T464 HydrophobicContact CG-CG2 4.24Å; L460-T464 WeakPolarHBondContact O-CB 3.41Å; L460-T464 WeakPolarHBondContact O-CG2 3.24Å; L460-T464 PolarHBondContact O-N 2.84Å; L460-T464 PolarHBondContact O-OG1 2.8Å |
| 461 | C | 93 | Very high | 91.4 | Very high | 34 Ų | 34 | 38 Ų | 38 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -29.3 | 177.5 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | T430 G432 E459 T464 G465 | T430-C461 HydrophobicContact CG2-CB 4.43Å; G432-C461 WeakPolarHBondContact CA-O 3.4Å; G432-C461 PolarHBondContact N-O 3.3Å; E459-C461 VanDerWaalsContact C-N 3.26Å; E459-C461 PolarHBondContact O-N 2.92Å; C461-T464 WeakPolarHBondContact CA-OG1 3.35Å; C461-T464 PolarHBondContact O-OG1 3.41Å; C461-G465 PolarHBondContact O-N 3.5Å |
| 462 | V | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.5 | -41.4 | 173.9 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | K436 V437 L440 Y458 E459 L460 G465 A466 | K436-V462 HydrophobicContact CB-CG1 4.04Å; K436-V462 HydrophobicContact CB-CG2 4.1Å; K436-V462 HydrophobicContact CD-CG2 3.99Å; V437-V462 HydrophobicContact CG2-CG1 4.12Å; L440-V462 HydrophobicContact CD2-CG1 4.11Å; Y458-V462 HydrophobicContact CD1-CG1 3.89Å; E459-V462 HydrophobicContact CB-CB 4.47Å; E459-V462 HydrophobicContact CB-CG2 4.08Å; E459-V462 WeakPolarHBondContact O-CA 3.22Å; E459-V462 WeakPolarHBondContact O-CB 3.47Å; E459-V462 PolarHBondContact O-N 3.4Å; L460-V462 VanDerWaalsContact C-N 3.26Å; L460-V462 PolarHBondContact O-N 3.31Å; V462-G465 PolarHBondContact O-N 3.36Å; V462-A466 VanDerWaalsContact O-CB 3.25Å; V462-A466 WeakPolarHBondContact O-CB 3.45Å; V462-A466 PolarHBondContact O-N 3.27Å |
| 463 | L | 95.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -50 | 176.9 | -62.6 | 178.5 | 0 | 0 | 0 | 111.9 | L413 A416 I417 L440 L455 Y458 E459 L460 G465 A466 L467 | L413-L463 HydrophobicContact CD1-CB 4.07Å; L413-L463 HydrophobicContact CD1-CD2 3.65Å; L413-L463 HydrophobicContact CD1-CG 4.47Å; A416-L463 HydrophobicContact CB-CD1 4Å; I417-L463 HydrophobicContact CD1-CB 4.18Å; I417-L463 HydrophobicContact CG1-CB 3.76Å; I417-L463 HydrophobicContact CG1-CD1 4.42Å; L440-L463 HydrophobicContact CD2-CD2 4.14Å; L455-L463 HydrophobicContact CD2-CD2 4.01Å; Y458-L463 HydrophobicContact CG-CD2 4.41Å; E459-L463 PolarHBondContact O-N 3.1Å; L460-L463 PolarHBondContact O-N 3.03Å; L463-G465 VanDerWaalsContact C-N 3.34Å; L463-G465 PolarHBondContact O-N 2.82Å; L463-A466 PolarHBondContact O-N 2.91Å; L463-L467 PolarHBondContact O-N 3.43Å |
| 464 | T | 96 | Very high | 92 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.2 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | I417 I427 Y428 L460 C461 L467 K468 | I417-T464 HydrophobicContact CD1-CG2 4.12Å; I417-T464 HydrophobicContact CG1-CG2 4.34Å; I417-T464 HydrophobicContact CG2-CG2 4.28Å; I427-T464 HydrophobicContact CD1-CG2 4.16Å; I427-T464 HydrophobicContact CG1-CG2 3.81Å; Y428-T464 HydrophobicContact CD1-CG2 3.83Å; Y428-T464 HydrophobicContact CE1-CG2 3.59Å; Y428-T464 HydrophobicContact CE2-CG2 4.42Å; Y428-T464 HydrophobicContact CG-CG2 4.33Å; L460-T464 HydrophobicContact CD1-CG2 3.99Å; L460-T464 HydrophobicContact CG-CG2 4.24Å; L460-T464 WeakPolarHBondContact O-CB 3.41Å; L460-T464 WeakPolarHBondContact O-CG2 3.24Å; L460-T464 PolarHBondContact O-N 2.84Å; L460-T464 PolarHBondContact O-OG1 2.8Å; C461-T464 WeakPolarHBondContact CA-OG1 3.35Å; C461-T464 PolarHBondContact O-OG1 3.41Å; T464-L467 PolarHBondContact O-N 2.83Å; T464-K468 WeakPolarHBondContact O-CG 3.43Å; T464-K468 PolarHBondContact O-N 3.2Å |
| 465 | G | 93.5 | Very high | 91.9 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C461 V462 L463 S469 | C461-G465 PolarHBondContact O-N 3.5Å; V462-G465 PolarHBondContact O-N 3.36Å; L463-G465 VanDerWaalsContact C-N 3.34Å; L463-G465 PolarHBondContact O-N 2.82Å; G465-S469 WeakPolarHBondContact O-CB 3.34Å; G465-S469 PolarHBondContact O-N 2.9Å |
| 466 | A | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L413 V437 L440 I441 V462 L463 S469 F470 | L413-A466 HydrophobicContact CD2-CB 4.27Å; V437-A466 HydrophobicContact CG1-CB 4.27Å; L440-A466 HydrophobicContact CD2-CB 3.73Å; L440-A466 HydrophobicContact CG-CB 4.27Å; I441-A466 HydrophobicContact CG1-CB 4.35Å; V462-A466 VanDerWaalsContact O-CB 3.25Å; V462-A466 WeakPolarHBondContact O-CB 3.45Å; V462-A466 PolarHBondContact O-N 3.27Å; L463-A466 PolarHBondContact O-N 2.91Å; A466-S469 PolarHBondContact O-N 3.36Å; A466-F470 WeakPolarHBondContact O-CB 3.49Å; A466-F470 PolarHBondContact O-N 3.14Å |
| 467 | L | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -53.6 | 176.9 | -177.9 | 65.3 | 0 | 0 | 0 | 110.8 | L410 L413 I414 I417 Y428 L463 T464 S469 F470 I471 L520 F545 | L410-L467 HydrophobicContact CD2-CD1 3.41Å; L410-L467 VanDerWaalsContact CD2-CD1 3.41Å; L413-L467 VanDerWaalsContact CD2-CA 3.5Å; L413-L467 HydrophobicContact CD2-CB 3.63Å; L413-L467 HydrophobicContact CD2-CD1 3.98Å; L413-L467 HydrophobicContact CD2-CG 4.42Å; L413-L467 HydrophobicContact CG-CB 4.42Å; I414-L467 HydrophobicContact CG1-CD1 4.3Å; I414-L467 HydrophobicContact CG1-CD2 4.25Å; I417-L467 HydrophobicContact CD1-CB 4.39Å; I417-L467 HydrophobicContact CD1-CD2 4.24Å; Y428-L467 HydrophobicContact CE1-CB 4.47Å; Y428-L467 HydrophobicContact CE1-CD2 3.79Å; Y428-L467 WeakPolarHBondContact OH-CD2 3.32Å; L463-L467 PolarHBondContact O-N 3.43Å; T464-L467 PolarHBondContact O-N 2.83Å; L467-S469 PolarHBondContact O-N 3.29Å; L467-F470 PolarHBondContact O-N 2.92Å; L467-I471 HydrophobicContact CD1-CD1 4.16Å; L467-I471 HydrophobicContact CG-CD1 4.16Å; L467-I471 WeakPolarHBondContact O-CD1 3.38Å; L467-I471 WeakPolarHBondContact O-CG1 3.46Å; L467-I471 PolarHBondContact O-N 3.37Å; L467-L520 HydrophobicContact CD2-CD1 4.1Å; L467-F545 HydrophobicContact CD2-CE1 4.33Å; L467-F545 HydrophobicContact CD2-CZ 4.25Å |
| 468 | K | 94 | Very high | 92.3 | Very high | 38 Ų | 38 | 31.3 Ų | 31.3 | 17% | 0.165 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 178.8 | -66.4 | -174.1 | -61.4 | 175.3 | 0 | 111.4 | Y428 T464 I471 R472 V544 F545 | Y428-K468 HydrophobicContact CD1-CD 4.15Å; Y428-K468 HydrophobicContact CD1-CG 4.14Å; Y428-K468 PolarHBondContact O-NZ 2.79Å; T464-K468 WeakPolarHBondContact O-CG 3.43Å; T464-K468 PolarHBondContact O-N 3.2Å; K468-I471 PolarHBondContact O-N 3.31Å; K468-R472 WeakPolarHBondContact O-CB 3.15Å; K468-R472 PolarHBondContact O-N 2.83Å; K468-V544 HydrophobicContact CD-CG1 3.67Å; K468-F545 HydrophobicContact CG-CD1 4.49Å; K468-F545 HydrophobicContact CG-CE1 3.9Å; K468-F545 HydrophobicContact CG-CZ 3.93Å |
| 469 | S | 90.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 24% | 0.238 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.7 | -38.2 | -176.4 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | G465 A466 L467 R472 Q473 | G465-S469 WeakPolarHBondContact O-CB 3.34Å; G465-S469 PolarHBondContact O-N 2.9Å; A466-S469 PolarHBondContact O-N 3.36Å; L467-S469 PolarHBondContact O-N 3.29Å; S469-R472 PolarHBondContact O-N 3.33Å; S469-Q473 WeakPolarHBondContact O-CB 3.31Å; S469-Q473 VanDerWaalsContact O-CG 3.22Å; S469-Q473 WeakPolarHBondContact O-CG 3.14Å; S469-Q473 PolarHBondContact O-N 2.86Å; S469-Q473 PolarHBondContact O-NE2 2.75Å; S469-Q473 PolarHBondContact OG-NE2 3.27Å |
| 470 | F | 92.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.9 | -50.9 | 174.8 | -176.7 | -88.2 | 0 | 0 | 0 | 111.3 | I400 F409 L410 I441 L445 A466 L467 R472 Q473 L474 | I400-F470 HydrophobicContact CG2-CE2 3.84Å; I400-F470 HydrophobicContact CG2-CZ 3.74Å; F409-F470 AromaticContact CD1-CD2 3.83Å; F409-F470 HydrophobicContact CD1-CD2 3.83Å; F409-F470 AromaticContact CD1-CE2 3.82Å; F409-F470 HydrophobicContact CD1-CE2 3.82Å; F409-F470 HydrophobicContact CD1-CG 4.25Å; F409-F470 HydrophobicContact CD1-CZ 4.27Å; F409-F470 HydrophobicContact CE1-CB 4.29Å; F409-F470 AromaticContact CE1-CD2 3.56Å; F409-F470 HydrophobicContact CE1-CD2 3.56Å; F409-F470 HydrophobicContact CE1-CE2 4.03Å; F409-F470 AromaticContact CE1-CG 3.91Å; F409-F470 HydrophobicContact CE1-CG 3.91Å; L410-F470 HydrophobicContact CD1-CD1 4.17Å; L410-F470 HydrophobicContact CD1-CE1 3.95Å; L410-F470 HydrophobicContact CD2-CD1 3.66Å; L410-F470 HydrophobicContact CD2-CE1 4.17Å; L410-F470 HydrophobicContact CD2-CG 4.36Å; L410-F470 HydrophobicContact CG-CD1 4.03Å; L410-F470 HydrophobicContact CG-CE1 4Å; I441-F470 HydrophobicContact CD1-CB 4.3Å; I441-F470 HydrophobicContact CG1-CB 4.45Å; I441-F470 HydrophobicContact CG2-CD2 4.18Å; L445-F470 HydrophobicContact CD2-CE2 3.99Å; A466-F470 WeakPolarHBondContact O-CB 3.49Å; A466-F470 PolarHBondContact O-N 3.14Å; L467-F470 PolarHBondContact O-N 2.92Å; F470-R472 VanDerWaalsContact C-N 3.28Å; F470-R472 PolarHBondContact O-N 3.31Å; F470-Q473 PolarHBondContact O-N 3.06Å; F470-Q473 VanDerWaalsContact O-N 3.14Å; F470-L474 HydrophobicContact CE1-CD2 4Å; F470-L474 HydrophobicContact CZ-CD2 4.44Å; F470-L474 PolarHBondContact O-N 2.97Å |
| 471 | I | 93.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 178 | -65.9 | 164.5 | 0 | 0 | 0 | 110.7 | L467 K468 Q473 L474 I478 L520 F545 L549 | L467-I471 HydrophobicContact CD1-CD1 4.16Å; L467-I471 HydrophobicContact CG-CD1 4.16Å; L467-I471 WeakPolarHBondContact O-CD1 3.38Å; L467-I471 WeakPolarHBondContact O-CG1 3.46Å; L467-I471 PolarHBondContact O-N 3.37Å; K468-I471 PolarHBondContact O-N 3.31Å; I471-Q473 VanDerWaalsContact C-N 3.3Å; I471-Q473 PolarHBondContact O-N 2.97Å; I471-L474 WeakPolarHBondContact O-CG 3.25Å; I471-L474 PolarHBondContact O-N 3.29Å; I471-I478 HydrophobicContact CB-CD1 4.48Å; I471-I478 HydrophobicContact CG1-CD1 4.1Å; I471-I478 HydrophobicContact CG2-CD1 3.73Å; I471-I478 HydrophobicContact CG2-CG1 4.15Å; I471-L520 HydrophobicContact CD1-CD1 4.03Å; I471-L520 HydrophobicContact CD1-CD2 3.74Å; I471-F545 HydrophobicContact CD1-CE1 4.32Å; I471-L549 HydrophobicContact CG2-CD2 3.89Å |
| 472 | R | 89.7 | Confident | 92 | Very high | 95 Ų | 95 | 29.4 Ų | 29.4 | 36% | 0.358 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.1 | -29.4 | 179.6 | -168.5 | 178.3 | -179.2 | -176.3 | 7 | 113.3 | E253 K468 S469 F470 R551 | E253-R472 IonicContact OE1-CZ 2.72Å; E253-R472 IonicContact OE1-NH1 3.46Å; E253-R472 IonicContact OE1-NH2 2.7Å; E253-R472 IonicContact OE2-CZ 3.39Å; E253-R472 IonicContact OE2-NH2 3.84Å; E253-R472 PolarHBondContact OE2-NH2 3.16Å; K468-R472 WeakPolarHBondContact O-CB 3.15Å; K468-R472 PolarHBondContact O-N 2.83Å; S469-R472 PolarHBondContact O-N 3.33Å; F470-R472 VanDerWaalsContact C-N 3.28Å; F470-R472 PolarHBondContact O-N 3.31Å; R472-R551 PolarHBondContact O-NE 3.21Å; R472-R551 VanDerWaalsContact O-NE 3.16Å; R472-R551 PolarHBondContact O-NH1 2.89Å |
| 473 | Q | 87.9 | Confident | 92 | Very high | 91 Ų | 91 | 30.6 Ų | 30.6 | 43% | 0.425 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -89.8 | -3.6 | -176.8 | -71.6 | 175 | 52.2 | 0 | 0 | 114.5 | I400 S469 F470 I471 | I400-Q473 HydrophobicContact CD1-CB 3.79Å; S469-Q473 WeakPolarHBondContact O-CB 3.31Å; S469-Q473 VanDerWaalsContact O-CG 3.22Å; S469-Q473 WeakPolarHBondContact O-CG 3.14Å; S469-Q473 PolarHBondContact O-N 2.86Å; S469-Q473 PolarHBondContact O-NE2 2.75Å; S469-Q473 PolarHBondContact OG-NE2 3.27Å; F470-Q473 PolarHBondContact O-N 3.06Å; F470-Q473 VanDerWaalsContact O-N 3.14Å; I471-Q473 VanDerWaalsContact C-N 3.3Å; I471-Q473 PolarHBondContact O-N 2.97Å |
| 474 | L | 88.9 | Confident | 91.7 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -52.9 | 146.5 | 173.4 | -66.3 | 172.8 | 0 | 0 | 0 | 110.6 | I400 L402 F470 I471 T476 I478 R551 | I400-L474 HydrophobicContact CB-CD2 4.48Å; I400-L474 HydrophobicContact CG2-CD2 3.84Å; I400-L474 CarbonylContact O-C 3.6Å; I400-L474 WeakPolarHBondContact O-CA 3.4Å; L402-L474 HydrophobicContact CD1-CD1 4.5Å; L402-L474 HydrophobicContact CD2-CD1 3.87Å; L402-L474 HydrophobicContact CD2-CD2 3.9Å; L402-L474 HydrophobicContact CG-CD1 4.17Å; L402-L474 HydrophobicContact CG-CD2 4.21Å; F470-L474 HydrophobicContact CE1-CD2 4Å; F470-L474 HydrophobicContact CZ-CD2 4.44Å; F470-L474 PolarHBondContact O-N 2.97Å; I471-L474 WeakPolarHBondContact O-CG 3.25Å; I471-L474 PolarHBondContact O-N 3.29Å; L474-T476 VanDerWaalsContact C-N 3.27Å; L474-T476 VanDerWaalsContact CB-O 3.27Å; L474-T476 WeakPolarHBondContact CB-O 3.39Å; L474-T476 PolarHBondContact O-N 2.85Å; L474-I478 HydrophobicContact CD1-CD1 4.22Å; L474-I478 HydrophobicContact CD1-CG1 3.6Å; L474-R551 PolarHBondContact O-NH2 3.25Å |
| 475 | E | 85.5 | Confident | 91.4 | Very high | 83 Ų | 83 | 36.4 Ų | 36.4 | 39% | 0.388 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -57.9 | -44.7 | 177.2 | 179.5 | 178.7 | -177 | 0 | 0 | 111.1 | N399 I400 Q401 | N399-E475 HydrophobicContact CB-CB 4.19Å; N399-E475 HydrophobicContact CB-CG 4.29Å; N399-E475 VanDerWaalsContact ND2-CD 3.27Å; N399-E475 PolarHBondContact ND2-OE1 3.07Å; I400-E475 PolarHBondContact O-N 3.13Å; Q401-E475 WeakPolarHBondContact CG-OE2 3.47Å; Q401-E475 PolarHBondContact NE2-OE2 2.95Å |
| 476 | T | 87.5 | Confident | 91.4 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 34% | 0.337 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -117.4 | 135.6 | 173.3 | -62.4 | 0 | 0 | 0 | 0 | 108.7 | L474 F481 | L474-T476 VanDerWaalsContact C-N 3.27Å; L474-T476 VanDerWaalsContact CB-O 3.27Å; L474-T476 WeakPolarHBondContact CB-O 3.39Å; L474-T476 PolarHBondContact O-N 2.85Å; T476-F481 HydrophobicContact CG2-CD2 4.01Å; T476-F481 HydrophobicContact CG2-CE2 4.38Å |
| 477 | P | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -58 | 153.7 | 175.9 | 25 | -35 | 0 | 0 | 0 | 111.2 | M479 T480 F481 L549 R551 | P477-M479 PolarHBondContact O-N 3.31Å; P477-M479 VanDerWaalsContact O-N 3.16Å; P477-T480 WeakPolarHBondContact O-CA 3.33Å; P477-T480 PolarHBondContact O-N 2.92Å; P477-F481 VanDerWaalsContact CD-CE1 3.47Å; P477-F481 VanDerWaalsContact CD-CE2 3.44Å; P477-F481 HydrophobicContact CG-CD1 3.81Å; P477-F481 HydrophobicContact CG-CE1 3.75Å; P477-F481 HydrophobicContact CG-CE2 4.47Å; P477-F481 HydrophobicContact CG-CG 4.22Å; P477-F481 HydrophobicContact CG-CZ 4.11Å; P477-L549 WeakPolarHBondContact CB-O 3.4Å; P477-R551 HydrophobicContact CB-CB 4.21Å; P477-R551 HydrophobicContact CG-CB 4.35Å | ||
| 478 | I | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37.6 | 179.2 | -65.1 | -177.5 | 0 | 0 | 0 | 110.8 | I471 L474 T480 N513 T516 L517 L549 | I471-I478 HydrophobicContact CB-CD1 4.48Å; I471-I478 HydrophobicContact CG1-CD1 4.1Å; I471-I478 HydrophobicContact CG2-CD1 3.73Å; I471-I478 HydrophobicContact CG2-CG1 4.15Å; L474-I478 HydrophobicContact CD1-CD1 4.22Å; L474-I478 HydrophobicContact CD1-CG1 3.6Å; I478-T480 PolarHBondContact O-N 3.22Å; I478-N513 PolarHBondContact O-ND2 3.34Å; I478-T516 HydrophobicContact CD1-CG2 3.94Å; I478-L517 HydrophobicContact CG2-CB 3.82Å; I478-L517 HydrophobicContact CG2-CD1 4.05Å; I478-L517 HydrophobicContact CG2-CG 4.42Å; I478-L549 HydrophobicContact CB-CD2 3.93Å; I478-L549 HydrophobicContact CD1-CD2 3.84Å; I478-L549 HydrophobicContact CG1-CD2 4.26Å; I478-L549 HydrophobicContact CG2-CD2 4.38Å |
| 479 | M | 95.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 1.7 | 178.6 | -57.2 | -57.1 | -73 | 0 | 0 | 114.4 | P477 F487 L506 L509 L517 L549 F550 M573 | P477-M479 PolarHBondContact O-N 3.31Å; P477-M479 VanDerWaalsContact O-N 3.16Å; M479-F487 HydrophobicContact CB-CE2 4.3Å; M479-F487 HydrophobicContact CE-CD1 4.04Å; M479-F487 HydrophobicContact CE-CD2 4.13Å; M479-F487 HydrophobicContact CE-CE1 3.47Å; M479-F487 VanDerWaalsContact CE-CE1 3.47Å; M479-F487 HydrophobicContact CE-CE2 3.57Å; M479-F487 HydrophobicContact CE-CG 4.36Å; M479-F487 HydrophobicContact CE-CZ 3.22Å; M479-L506 HydrophobicContact CE-CD2 3.81Å; M479-L509 HydrophobicContact CE-CD1 4.31Å; M479-L509 HydrophobicContact SD-CD1 4.12Å; M479-L517 HydrophobicContact CE-CD2 4.33Å; M479-L517 HydrophobicContact SD-CD1 3.97Å; M479-L517 HydrophobicContact SD-CD2 3.61Å; M479-L517 HydrophobicContact SD-CG 4.44Å; M479-L549 VanDerWaalsContact CB-O 3.3Å; M479-L549 WeakPolarHBondContact CB-O 3.25Å; M479-L549 HydrophobicContact CG-CB 4.16Å; M479-L549 VanDerWaalsContact CG-O 3.28Å; M479-L549 WeakPolarHBondContact CG-O 3.25Å; M479-L549 PolarHBondContact N-O 3.25Å; M479-F550 HydrophobicContact CB-CD1 3.76Å; M479-F550 HydrophobicContact CB-CE1 3.79Å; M479-F550 HydrophobicContact CB-CG 4.25Å; M479-F550 HydrophobicContact CB-CZ 4.28Å; M479-F550 HydrophobicContact CE-CE1 3.68Å; M479-F550 HydrophobicContact CE-CE2 4.31Å; M479-F550 HydrophobicContact CE-CZ 3.43Å; M479-F550 VanDerWaalsContact CE-CZ 3.43Å; M479-F550 HydrophobicContact CG-CD1 3.86Å; M479-F550 HydrophobicContact CG-CD2 3.97Å; M479-F550 HydrophobicContact CG-CE1 3.63Å; M479-F550 HydrophobicContact CG-CE2 3.74Å; M479-F550 HydrophobicContact CG-CG 4.05Å; M479-F550 HydrophobicContact CG-CZ 3.59Å; M479-F550 HydrophobicContact SD-CE1 4.49Å; M479-F550 HydrophobicContact SD-CZ 4.15Å; M479-M573 HydrophobicContact CE-CE 4.39Å; M479-M573 HydrophobicContact CE-SD 4.38Å |
| 480 | T | 92.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | trans | 62.9 | 151.2 | -178 | 74.8 | 0 | 0 | 0 | 0 | 115.4 | P477 I478 L483 L509 P510 | P477-T480 WeakPolarHBondContact O-CA 3.33Å; P477-T480 PolarHBondContact O-N 2.92Å; I478-T480 PolarHBondContact O-N 3.22Å; T480-L483 PolarHBondContact OG1-N 3.25Å; T480-L509 HydrophobicContact CG2-CD2 3.72Å; T480-P510 HydrophobicContact CG2-CG 4.35Å | ||
| 481 | F | 89.3 | Confident | 91.4 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -30.8 | 172.3 | -64.9 | -59 | 0 | 0 | 0 | 112.2 | T476 P477 L483 R551 S552 R553 | T476-F481 HydrophobicContact CG2-CD2 4.01Å; T476-F481 HydrophobicContact CG2-CE2 4.38Å; P477-F481 VanDerWaalsContact CD-CE1 3.47Å; P477-F481 VanDerWaalsContact CD-CE2 3.44Å; P477-F481 HydrophobicContact CG-CD1 3.81Å; P477-F481 HydrophobicContact CG-CE1 3.75Å; P477-F481 HydrophobicContact CG-CE2 4.47Å; P477-F481 HydrophobicContact CG-CG 4.22Å; P477-F481 HydrophobicContact CG-CZ 4.11Å; F481-L483 PolarHBondContact O-N 2.98Å; F481-R551 VanDerWaalsContact CD1-O 3.31Å; F481-R551 WeakPolarHBondContact CD1-O 3.44Å; F481-R551 HydrophobicContact CE1-CB 4.35Å; F481-R551 VanDerWaalsContact CE1-O 3.28Å; F481-R551 WeakPolarHBondContact CE1-O 3.42Å; F481-S552 WeakPolarHBondContact CE1-O 3.23Å; F481-R553 HydrophobicContact CD1-CB 4.01Å; F481-R553 HydrophobicContact CE1-CB 4.46Å; F481-R553 HydrophobicContact CG-CB 4.35Å |
| 482 | Q | 89.9 | Confident | 91.2 | Very high | 149 Ų | 149 | 42.7 Ų | 42.7 | 70% | 0.696 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -35.1 | -176.5 | -63.9 | 96.5 | -12.4 | 0 | 0 | 112.8 | ||
| 483 | L | 93 | Very high | 91.2 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6.5 | -177.1 | -61.6 | 177.2 | 0 | 0 | 0 | 113.6 | T480 F481 D485 S486 F487 L508 L509 | T480-L483 PolarHBondContact OG1-N 3.25Å; F481-L483 PolarHBondContact O-N 2.98Å; L483-D485 PolarHBondContact O-N 3.26Å; L483-S486 WeakPolarHBondContact O-CA 3.2Å; L483-S486 WeakPolarHBondContact O-CB 3.24Å; L483-S486 PolarHBondContact O-N 3.39Å; L483-F487 HydrophobicContact CB-CD2 3.83Å; L483-F487 HydrophobicContact CB-CE2 3.58Å; L483-F487 HydrophobicContact CD1-CE2 4.16Å; L483-F487 VanDerWaalsContact O-CD2 3.26Å; L483-F487 WeakPolarHBondContact O-CD2 3.43Å; L483-F487 PolarHBondContact O-N 2.6Å; L483-L508 HydrophobicContact CD1-CB 3.96Å; L483-L508 HydrophobicContact CD2-CB 4.39Å; L483-L508 HydrophobicContact CD2-CD1 4.34Å; L483-L509 HydrophobicContact CD1-CD2 3.81Å; L483-L509 HydrophobicContact CD1-CG 4.17Å |
| 484 | H | 90.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 45 Ų | 45 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -47.9 | -55.9 | -174.8 | 176.3 | -83.9 | 0 | 0 | 0 | 112.6 | S486 F487 M488 F550 | H484-S486 VanDerWaalsContact C-N 3.26Å; H484-S486 PolarHBondContact O-N 2.98Å; H484-F487 PolarHBondContact O-N 2.83Å; H484-F487 VanDerWaalsContact O-N 3.14Å; H484-M488 WeakPolarHBondContact O-CG 3.4Å; H484-M488 PolarHBondContact O-N 3.39Å; H484-F550 PolarHBondContact CD2-O 2.88Å; H484-F550 VanDerWaalsContact CD2-O 3.31Å; H484-F550 PolarHBondContact NE2-O 3.33Å |
| 485 | D | 89.3 | Confident | 90.9 | Very high | 113 Ų | 113 | 49.6 Ų | 49.6 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -69.2 | -26.1 | -176.5 | -60.1 | -22.7 | 0 | 0 | 0 | 112.8 | L483 S489 | L483-D485 PolarHBondContact O-N 3.26Å; D485-S489 VanDerWaalsContact O-CB 3.24Å; D485-S489 WeakPolarHBondContact O-CB 3.34Å; D485-S489 PolarHBondContact O-N 3.43Å; D485-S489 PolarHBondContact O-OG 3.03Å |
| 486 | S | 93.5 | Very high | 90.9 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.5 | -42.4 | 173.2 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | L483 H484 S489 A490 | L483-S486 WeakPolarHBondContact O-CA 3.2Å; L483-S486 WeakPolarHBondContact O-CB 3.24Å; L483-S486 PolarHBondContact O-N 3.39Å; H484-S486 VanDerWaalsContact C-N 3.26Å; H484-S486 PolarHBondContact O-N 2.98Å; S486-S489 PolarHBondContact O-N 3.36Å; S486-A490 WeakPolarHBondContact O-CB 3.47Å; S486-A490 PolarHBondContact O-N 2.67Å |
| 487 | F | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 173.4 | -75.5 | -69.3 | 0 | 0 | 0 | 111.9 | M479 L483 H484 S489 A490 M491 L502 L505 L506 L509 F550 | M479-F487 HydrophobicContact CB-CE2 4.3Å; M479-F487 HydrophobicContact CE-CD1 4.04Å; M479-F487 HydrophobicContact CE-CD2 4.13Å; M479-F487 HydrophobicContact CE-CE1 3.47Å; M479-F487 VanDerWaalsContact CE-CE1 3.47Å; M479-F487 HydrophobicContact CE-CE2 3.57Å; M479-F487 HydrophobicContact CE-CG 4.36Å; M479-F487 HydrophobicContact CE-CZ 3.22Å; L483-F487 HydrophobicContact CB-CD2 3.83Å; L483-F487 HydrophobicContact CB-CE2 3.58Å; L483-F487 HydrophobicContact CD1-CE2 4.16Å; L483-F487 VanDerWaalsContact O-CD2 3.26Å; L483-F487 WeakPolarHBondContact O-CD2 3.43Å; L483-F487 PolarHBondContact O-N 2.6Å; H484-F487 PolarHBondContact O-N 2.83Å; H484-F487 VanDerWaalsContact O-N 3.14Å; F487-S489 VanDerWaalsContact C-N 3.34Å; F487-S489 PolarHBondContact O-N 2.94Å; F487-A490 PolarHBondContact O-N 2.75Å; F487-M491 WeakPolarHBondContact O-CG 3.28Å; F487-M491 PolarHBondContact O-N 3.3Å; F487-M491 VanDerWaalsContact O-N 3.08Å; F487-L502 HydrophobicContact CD1-CD1 3.93Å; F487-L502 HydrophobicContact CE1-CD1 3.85Å; F487-L505 HydrophobicContact CD1-CB 3.96Å; F487-L505 HydrophobicContact CD1-CD1 3.69Å; F487-L505 HydrophobicContact CD1-CG 4.49Å; F487-L505 HydrophobicContact CE1-CB 3.37Å; F487-L505 HydrophobicContact CE1-CD1 4.03Å; F487-L505 HydrophobicContact CE1-CG 4.35Å; F487-L505 HydrophobicContact CE2-CB 4.39Å; F487-L505 HydrophobicContact CG-CD1 4.07Å; F487-L505 HydrophobicContact CZ-CB 3.61Å; F487-L506 HydrophobicContact CE1-CD2 4.37Å; F487-L506 HydrophobicContact CE1-CG 4.49Å; F487-L506 HydrophobicContact CZ-CD2 4.4Å; F487-L509 HydrophobicContact CE2-CD2 4.5Å; F487-F550 HydrophobicContact CB-CD1 4.33Å; F487-F550 HydrophobicContact CB-CE1 3.71Å; F487-F550 HydrophobicContact CD1-CE1 4.19Å; F487-F550 AromaticContact CD2-CE1 3.91Å; F487-F550 HydrophobicContact CD2-CE1 3.91Å; F487-F550 AromaticContact CG-CE1 3.69Å; F487-F550 HydrophobicContact CG-CE1 3.69Å |
| 488 | M | 92.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 177.7 | -61.2 | -48.1 | 130.5 | 0 | 0 | 111.5 | H484 M491 K492 F550 F565 A566 | H484-M488 WeakPolarHBondContact O-CG 3.4Å; H484-M488 PolarHBondContact O-N 3.39Å; M488-M491 PolarHBondContact O-N 2.79Å; M488-K492 WeakPolarHBondContact O-CD 3.36Å; M488-K492 VanDerWaalsContact O-CG 3.28Å; M488-K492 WeakPolarHBondContact O-CG 3.27Å; M488-K492 PolarHBondContact O-N 2.94Å; M488-F550 HydrophobicContact CE-CB 3.97Å; M488-F550 HydrophobicContact CE-CD1 3.47Å; M488-F550 VanDerWaalsContact CE-CD1 3.47Å; M488-F550 HydrophobicContact CE-CE1 4.17Å; M488-F550 HydrophobicContact CE-CG 3.97Å; M488-F565 HydrophobicContact SD-CB 3.91Å; M488-A566 HydrophobicContact CE-CB 3.79Å; M488-A566 HydrophobicContact SD-CB 4.28Å |
| 489 | S | 91 | Very high | 91.2 | Very high | 70 Ų | 70 | 55.8 Ų | 55.8 | 49% | 0.49 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 176 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | D485 S486 F487 M491 K492 | D485-S489 VanDerWaalsContact O-CB 3.24Å; D485-S489 WeakPolarHBondContact O-CB 3.34Å; D485-S489 PolarHBondContact O-N 3.43Å; D485-S489 PolarHBondContact O-OG 3.03Å; S486-S489 PolarHBondContact O-N 3.36Å; F487-S489 VanDerWaalsContact C-N 3.34Å; F487-S489 PolarHBondContact O-N 2.94Å; S489-M491 VanDerWaalsContact C-N 3.33Å; S489-M491 PolarHBondContact O-N 3.38Å; S489-K492 PolarHBondContact O-N 3.2Å |
| 490 | A | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S486 F487 K492 R493 E501 L505 | S486-A490 WeakPolarHBondContact O-CB 3.47Å; S486-A490 PolarHBondContact O-N 2.67Å; F487-A490 PolarHBondContact O-N 2.75Å; A490-K492 VanDerWaalsContact C-N 3.28Å; A490-K492 PolarHBondContact O-N 2.93Å; A490-R493 WeakPolarHBondContact O-CB 3.38Å; A490-R493 PolarHBondContact O-N 2.98Å; A490-E501 VanDerWaalsContact CA-OE2 3.28Å; A490-E501 WeakPolarHBondContact CA-OE2 3.46Å; A490-E501 HydrophobicContact CB-CB 3.81Å; A490-E501 WeakPolarHBondContact CB-OE2 3.24Å; A490-L505 HydrophobicContact CB-CD1 3.99Å |
| 491 | M | 93.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.8 | -15.4 | 179 | -65.1 | -57.5 | 96.7 | 0 | 0 | 114 | F487 M488 S489 R493 R498 L502 F565 T568 A569 L572 | F487-M491 WeakPolarHBondContact O-CG 3.28Å; F487-M491 PolarHBondContact O-N 3.3Å; F487-M491 VanDerWaalsContact O-N 3.08Å; M488-M491 PolarHBondContact O-N 2.79Å; S489-M491 VanDerWaalsContact C-N 3.33Å; S489-M491 PolarHBondContact O-N 3.38Å; M491-R493 VanDerWaalsContact C-N 3.33Å; M491-R498 HydrophobicContact CE-CB 3.83Å; M491-R498 HydrophobicContact CE-CG 4.27Å; M491-R498 VanDerWaalsContact O-CZ 3.24Å; M491-R498 PolarHBondContact O-NE 2.8Å; M491-R498 PolarHBondContact O-NH2 3.19Å; M491-L502 HydrophobicContact CE-CB 4.11Å; M491-F565 HydrophobicContact CB-CB 3.96Å; M491-F565 HydrophobicContact CB-CD1 4.3Å; M491-F565 WeakPolarHBondContact CG-O 3.18Å; M491-T568 HydrophobicContact SD-CG2 4.31Å; M491-A569 HydrophobicContact CG-CB 3.8Å; M491-A569 VanDerWaalsContact SD-CA 3.6Å; M491-A569 HydrophobicContact SD-CB 3.8Å; M491-L572 HydrophobicContact CE-CD1 4.26Å; M491-L572 HydrophobicContact SD-CD1 3.88Å |
| 492 | K | 90.5 | Very high | 91.6 | Very high | 87 Ų | 87 | 61.1 Ų | 61.1 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.9 | 172.9 | -70.4 | 164.9 | 172.2 | -171 | 0 | 113.2 | C86 M488 S489 A490 F565 | C86-K492 HydrophobicContact CB-CB 4.36Å; C86-K492 HydrophobicContact CB-CD 3.84Å; C86-K492 HydrophobicContact CB-CG 3.74Å; C86-K492 VanDerWaalsContact SG-CD 3.58Å; M488-K492 WeakPolarHBondContact O-CD 3.36Å; M488-K492 VanDerWaalsContact O-CG 3.28Å; M488-K492 WeakPolarHBondContact O-CG 3.27Å; M488-K492 PolarHBondContact O-N 2.94Å; S489-K492 PolarHBondContact O-N 3.2Å; A490-K492 VanDerWaalsContact C-N 3.28Å; A490-K492 PolarHBondContact O-N 2.93Å; K492-F565 HydrophobicContact CG-CD1 3.91Å; K492-F565 HydrophobicContact CG-CD2 4.44Å; K492-F565 HydrophobicContact CG-CE1 3.62Å; K492-F565 HydrophobicContact CG-CE2 4.2Å; K492-F565 HydrophobicContact CG-CG 4.31Å; K492-F565 HydrophobicContact CG-CZ 3.78Å |
| 493 | R | 89.3 | Confident | 91.8 | Very high | 119 Ų | 119 | 55.3 Ų | 55.3 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -74.1 | 170.6 | 178.1 | -59.5 | -161.6 | 70.2 | 137.9 | 7.7 | 112.1 | A490 M491 R498 E501 | A490-R493 WeakPolarHBondContact O-CB 3.38Å; A490-R493 PolarHBondContact O-N 2.98Å; M491-R493 VanDerWaalsContact C-N 3.33Å; R493-R498 VanDerWaalsContact O-CZ 3.32Å; R493-R498 PolarHBondContact O-NE 3.32Å; R493-R498 PolarHBondContact O-NH2 3.11Å; R493-E501 WeakPolarHBondContact CD-OE1 3.39Å; R493-E501 WeakPolarHBondContact CD-OE2 3.43Å; R493-E501 IonicContact CZ-OE1 2.74Å; R493-E501 IonicContact NE-OE1 3.15Å; R493-E501 PolarHBondContact NE-OE1 3.44Å; R493-E501 IonicContact NH1-OE1 2.72Å; R493-E501 PolarHBondContact NH1-OE1 3.41Å |
| 494 | D | 84.9 | Confident | 92 | Very high | 115 Ų | 115 | 56.8 Ų | 56.8 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | trans | -58.6 | 146.2 | 169.7 | -56.4 | -45.1 | 0 | 0 | 0 | 111.8 | A496 Y497 R498 | D494-A496 PolarHBondContact O-N 2.82Å; D494-Y497 HydrophobicContact CB-CD2 4.13Å; D494-Y497 PolarHBondContact O-N 3.05Å; D494-R498 PolarHBondContact O-N 3.12Å | ||
| 495 | N | 85.2 | Confident | 92.2 | Very high | 99 Ų | 99 | 57 Ų | 57 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -51.3 | -32.2 | -178.7 | -82.4 | -27.6 | 0 | 0 | 0 | 114.4 | D89 Y497 R498 | D89-N495 PolarHBondContact OD2-ND2 2.82Å; D89-N495 PolarHBondContact OD2-OD1 2.93Å; D89-N495 VanDerWaalsContact OD2-OD1 3.1Å; N495-Y497 PolarHBondContact O-N 3.04Å; N495-R498 WeakPolarHBondContact OD1-CD 3.42Å; N495-R498 PolarHBondContact OD1-NE 3.25Å; N495-R498 PolarHBondContact OD1-NH1 2.87Å |
| 496 | A | 86.3 | Confident | 92.6 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 67% | 0.669 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.8 | -26.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D494 | D494-A496 PolarHBondContact O-N 2.82Å |
| 497 | Y | 91.6 | Very high | 92.6 | Very high | 124 Ų | 124 | 56.8 Ų | 56.8 | 49% | 0.486 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -106 | -23.5 | -174.4 | -58 | -73.6 | 0 | 0 | 0 | 113.8 | D494 N495 L499 T500 E501 | D494-Y497 HydrophobicContact CB-CD2 4.13Å; D494-Y497 PolarHBondContact O-N 3.05Å; N495-Y497 PolarHBondContact O-N 3.04Å; Y497-L499 VanDerWaalsContact C-N 3.35Å; Y497-L499 PolarHBondContact O-N 2.88Å; Y497-T500 PolarHBondContact O-N 2.84Å; Y497-T500 VanDerWaalsContact O-N 3.13Å; Y497-E501 PolarHBondContact O-N 3.44Å; Y497-E501 VanDerWaalsContact O-N 3.11Å |
| 498 | R | 94.2 | Very high | 92.7 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 5% | 0.045 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -51.2 | -48.9 | -173.8 | -68.8 | -173.2 | -175.1 | 163.2 | 3.4 | 113.1 | D89 M491 R493 D494 N495 T500 E501 L502 L572 | D89-R498 VanDerWaalsContact CG-NH1 3.28Å; D89-R498 IonicContact OD1-CZ 3.82Å; D89-R498 IonicContact OD1-NH1 2.73Å; D89-R498 PolarHBondContact OD1-NH1 2.81Å; D89-R498 IonicContact OD1-NH2 3.63Å; D89-R498 PolarHBondContact OD1-NH2 2.84Å; D89-R498 IonicContact OD2-CZ 2.88Å; D89-R498 IonicContact OD2-NH1 3.84Å; D89-R498 PolarHBondContact OD2-NH1 3.19Å; D89-R498 IonicContact OD2-NH2 3.65Å; M491-R498 HydrophobicContact CE-CB 3.83Å; M491-R498 HydrophobicContact CE-CG 4.27Å; M491-R498 VanDerWaalsContact O-CZ 3.24Å; M491-R498 PolarHBondContact O-NE 2.8Å; M491-R498 PolarHBondContact O-NH2 3.19Å; R493-R498 VanDerWaalsContact O-CZ 3.32Å; R493-R498 PolarHBondContact O-NE 3.32Å; R493-R498 PolarHBondContact O-NH2 3.11Å; D494-R498 PolarHBondContact O-N 3.12Å; N495-R498 WeakPolarHBondContact OD1-CD 3.42Å; N495-R498 PolarHBondContact OD1-NE 3.25Å; N495-R498 PolarHBondContact OD1-NH1 2.87Å; R498-T500 VanDerWaalsContact C-N 3.35Å; R498-T500 PolarHBondContact O-N 3.41Å; R498-E501 PolarHBondContact O-N 3.14Å; R498-L502 WeakPolarHBondContact O-CB 3.47Å; R498-L502 PolarHBondContact O-N 2.97Å; R498-L572 HydrophobicContact CB-CD1 3.92Å |
| 499 | L | 93.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.4 | -37.1 | -176 | -173.9 | 62.4 | 0 | 0 | 0 | 112.5 | Y497 S503 N576 L580 | Y497-L499 VanDerWaalsContact C-N 3.35Å; Y497-L499 PolarHBondContact O-N 2.88Å; L499-S503 WeakPolarHBondContact O-CB 3.17Å; L499-S503 PolarHBondContact O-N 3.21Å; L499-N576 HydrophobicContact CD1-CB 3.79Å; L499-N576 HydrophobicContact CD2-CB 4.4Å; L499-L580 HydrophobicContact CD1-CD1 3.98Å; L499-L580 HydrophobicContact CD1-CD2 3.96Å; L499-L580 HydrophobicContact CD1-CG 4.17Å |
| 500 | T | 94.4 | Very high | 93.1 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 62% | 0.62 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.2 | -46.4 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | Y497 R498 S503 A504 | Y497-T500 PolarHBondContact O-N 2.84Å; Y497-T500 VanDerWaalsContact O-N 3.13Å; R498-T500 VanDerWaalsContact C-N 3.35Å; R498-T500 PolarHBondContact O-N 3.41Å; T500-S503 PolarHBondContact O-N 3Å; T500-A504 PolarHBondContact O-N 2.91Å |
| 501 | E | 95.1 | Very high | 93.1 | Very high | 57 Ų | 57 | 66.7 Ų | 66.7 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 177.2 | -69.5 | -168.1 | 178.3 | 0 | 0 | 111.9 | A490 R493 Y497 R498 S503 A504 L505 | A490-E501 VanDerWaalsContact CA-OE2 3.28Å; A490-E501 WeakPolarHBondContact CA-OE2 3.46Å; A490-E501 HydrophobicContact CB-CB 3.81Å; A490-E501 WeakPolarHBondContact CB-OE2 3.24Å; R493-E501 WeakPolarHBondContact CD-OE1 3.39Å; R493-E501 WeakPolarHBondContact CD-OE2 3.43Å; R493-E501 IonicContact CZ-OE1 2.74Å; R493-E501 IonicContact NE-OE1 3.15Å; R493-E501 PolarHBondContact NE-OE1 3.44Å; R493-E501 IonicContact NH1-OE1 2.72Å; R493-E501 PolarHBondContact NH1-OE1 3.41Å; Y497-E501 PolarHBondContact O-N 3.44Å; Y497-E501 VanDerWaalsContact O-N 3.11Å; R498-E501 PolarHBondContact O-N 3.14Å; E501-S503 VanDerWaalsContact C-N 3.32Å; E501-S503 PolarHBondContact O-N 2.91Å; E501-A504 PolarHBondContact O-N 3.21Å; E501-A504 VanDerWaalsContact O-N 3.16Å; E501-L505 WeakPolarHBondContact O-CG 3.33Å; E501-L505 PolarHBondContact O-N 2.8Å |
| 502 | L | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.3 | -48.6 | 173 | 179.6 | 62.8 | 0 | 0 | 0 | 110.8 | F487 M491 R498 A504 L505 L506 A569 L572 M573 L580 | F487-L502 HydrophobicContact CD1-CD1 3.93Å; F487-L502 HydrophobicContact CE1-CD1 3.85Å; M491-L502 HydrophobicContact CE-CB 4.11Å; R498-L502 WeakPolarHBondContact O-CB 3.47Å; R498-L502 PolarHBondContact O-N 2.97Å; L502-A504 VanDerWaalsContact C-N 3.33Å; L502-A504 PolarHBondContact O-N 3.04Å; L502-L505 PolarHBondContact O-N 3.36Å; L502-L506 HydrophobicContact CD1-CD1 4.32Å; L502-L506 HydrophobicContact CD1-CG 4.3Å; L502-L506 HydrophobicContact CG-CD1 4.08Å; L502-L506 HydrophobicContact CG-CG 4.48Å; L502-L506 WeakPolarHBondContact O-CB 3.42Å; L502-L506 WeakPolarHBondContact O-CG 3.35Å; L502-L506 PolarHBondContact O-N 3.07Å; L502-A569 HydrophobicContact CD1-CB 4.48Å; L502-L572 HydrophobicContact CD2-CB 3.85Å; L502-M573 HydrophobicContact CD1-CG 4.38Å; L502-M573 HydrophobicContact CD2-CG 3.94Å; L502-M573 HydrophobicContact CG-CG 4.47Å; L502-L580 HydrophobicContact CD2-CD1 4.16Å |
| 503 | S | 95.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 66.7 Ų | 66.7 | 19% | 0.189 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 177 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | L499 T500 E501 K507 | L499-S503 WeakPolarHBondContact O-CB 3.17Å; L499-S503 PolarHBondContact O-N 3.21Å; T500-S503 PolarHBondContact O-N 3Å; E501-S503 VanDerWaalsContact C-N 3.32Å; E501-S503 PolarHBondContact O-N 2.91Å; S503-K507 WeakPolarHBondContact O-CG 3.47Å; S503-K507 PolarHBondContact O-N 2.88Å |
| 504 | A | 95.6 | Very high | 93.5 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T500 E501 L502 K507 | T500-A504 PolarHBondContact O-N 2.91Å; E501-A504 PolarHBondContact O-N 3.21Å; E501-A504 VanDerWaalsContact O-N 3.16Å; L502-A504 VanDerWaalsContact C-N 3.33Å; L502-A504 PolarHBondContact O-N 3.04Å; A504-K507 PolarHBondContact O-N 3.07Å |
| 505 | L | 96.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 63.9 Ų | 63.9 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 179.6 | -68.6 | 171.9 | 0 | 0 | 0 | 112.5 | F487 A490 E501 L502 K507 L508 | F487-L505 HydrophobicContact CD1-CB 3.96Å; F487-L505 HydrophobicContact CD1-CD1 3.69Å; F487-L505 HydrophobicContact CD1-CG 4.49Å; F487-L505 HydrophobicContact CE1-CB 3.37Å; F487-L505 HydrophobicContact CE1-CD1 4.03Å; F487-L505 HydrophobicContact CE1-CG 4.35Å; F487-L505 HydrophobicContact CE2-CB 4.39Å; F487-L505 HydrophobicContact CG-CD1 4.07Å; F487-L505 HydrophobicContact CZ-CB 3.61Å; A490-L505 HydrophobicContact CB-CD1 3.99Å; E501-L505 WeakPolarHBondContact O-CG 3.33Å; E501-L505 PolarHBondContact O-N 2.8Å; L502-L505 PolarHBondContact O-N 3.36Å; L505-K507 PolarHBondContact O-N 2.98Å; L505-L508 HydrophobicContact CD2-CD1 4.3Å; L505-L508 WeakPolarHBondContact O-CB 3.26Å; L505-L508 PolarHBondContact O-N 3.42Å |
| 506 | L | 96.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.1 | -34.8 | 176.4 | -73.2 | 172.8 | 0 | 0 | 0 | 112.4 | M479 F487 L502 L508 L509 L517 M573 L580 F581 | M479-L506 HydrophobicContact CE-CD2 3.81Å; F487-L506 HydrophobicContact CE1-CD2 4.37Å; F487-L506 HydrophobicContact CE1-CG 4.49Å; F487-L506 HydrophobicContact CZ-CD2 4.4Å; L502-L506 HydrophobicContact CD1-CD1 4.32Å; L502-L506 HydrophobicContact CD1-CG 4.3Å; L502-L506 HydrophobicContact CG-CD1 4.08Å; L502-L506 HydrophobicContact CG-CG 4.48Å; L502-L506 WeakPolarHBondContact O-CB 3.42Å; L502-L506 WeakPolarHBondContact O-CG 3.35Å; L502-L506 PolarHBondContact O-N 3.07Å; L506-L508 VanDerWaalsContact C-N 3.26Å; L506-L508 PolarHBondContact O-N 3.39Å; L506-L509 HydrophobicContact CD2-CD1 3.91Å; L506-L509 WeakPolarHBondContact O-CB 3.49Å; L506-L509 PolarHBondContact O-N 2.88Å; L506-L517 HydrophobicContact CD2-CD2 3.44Å; L506-L517 VanDerWaalsContact CD2-CD2 3.44Å; L506-M573 HydrophobicContact CD1-CG 4.35Å; L506-M573 HydrophobicContact CD1-SD 4.27Å; L506-M573 HydrophobicContact CD2-SD 3.85Å; L506-L580 HydrophobicContact CD1-CB 4.39Å; L506-L580 HydrophobicContact CD1-CD1 4.22Å; L506-L580 HydrophobicContact CD1-CD2 4.26Å; L506-F581 HydrophobicContact CD1-CE2 4.46Å; L506-F581 HydrophobicContact CD1-CZ 4.17Å |
| 507 | K | 94.5 | Very high | 94.9 | Very high | 149 Ų | 149 | 55.5 Ų | 55.5 | 65% | 0.648 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -18.2 | 177.2 | -67.4 | 169.4 | -175.5 | 171.8 | 0 | 113.7 | S503 A504 L505 Q514 | S503-K507 WeakPolarHBondContact O-CG 3.47Å; S503-K507 PolarHBondContact O-N 2.88Å; A504-K507 PolarHBondContact O-N 3.07Å; L505-K507 PolarHBondContact O-N 2.98Å; K507-Q514 PolarHBondContact O-NE2 3.2Å |
| 508 | L | 96.1 | Very high | 95.2 | Very high | 120 Ų | 120 | 50 Ų | 50 | 63% | 0.628 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -11.6 | 177.7 | -61.2 | 178.4 | 0 | 0 | 0 | 112.9 | L483 L505 L506 | L483-L508 HydrophobicContact CD1-CB 3.96Å; L483-L508 HydrophobicContact CD2-CB 4.39Å; L483-L508 HydrophobicContact CD2-CD1 4.34Å; L505-L508 HydrophobicContact CD2-CD1 4.3Å; L505-L508 WeakPolarHBondContact O-CB 3.26Å; L505-L508 PolarHBondContact O-N 3.42Å; L506-L508 VanDerWaalsContact C-N 3.26Å; L506-L508 PolarHBondContact O-N 3.39Å |
| 509 | L | 96 | Very high | 95.3 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -64.5 | 148.9 | 176.5 | -70.9 | 170.1 | 0 | 0 | 0 | 110.7 | M479 T480 L483 F487 L506 N513 Q514 L517 | M479-L509 HydrophobicContact CE-CD1 4.31Å; M479-L509 HydrophobicContact SD-CD1 4.12Å; T480-L509 HydrophobicContact CG2-CD2 3.72Å; L483-L509 HydrophobicContact CD1-CD2 3.81Å; L483-L509 HydrophobicContact CD1-CG 4.17Å; F487-L509 HydrophobicContact CE2-CD2 4.5Å; L506-L509 HydrophobicContact CD2-CD1 3.91Å; L506-L509 WeakPolarHBondContact O-CB 3.49Å; L506-L509 PolarHBondContact O-N 2.88Å; L509-N513 HydrophobicContact CB-CB 4.27Å; L509-Q514 HydrophobicContact CB-CG 3.66Å; L509-Q514 PolarHBondContact O-NE2 3.31Å; L509-L517 HydrophobicContact CD1-CD2 3.86Å |
| 510 | P | 95 | Very high | 95.4 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | trans | -57.5 | 152.7 | 172.2 | -24 | 33.4 | 0 | 0 | 0 | 112.5 | T480 E512 N513 Q514 | T480-P510 HydrophobicContact CG2-CG 4.35Å; P510-E512 VanDerWaalsContact C-N 3.35Å; P510-E512 PolarHBondContact O-N 3.2Å; P510-N513 HydrophobicContact CB-CB 4.45Å; P510-N513 WeakPolarHBondContact O-CB 3.41Å; P510-N513 PolarHBondContact O-N 3.49Å; P510-Q514 PolarHBondContact O-N 2.98Å | ||
| 511 | P | 92.9 | Very high | 95.6 | Very high | 102 Ų | 102 | 42.6 Ų | 42.6 | 66% | 0.662 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -54.8 | -43.6 | -175.9 | -28.4 | 35.6 | 0 | 0 | 0 | 114.6 | N513 Q514 R515 | P511-N513 VanDerWaalsContact C-N 3.32Å; P511-N513 PolarHBondContact O-N 3.12Å; P511-Q514 PolarHBondContact O-N 2.76Å; P511-R515 WeakPolarHBondContact O-CB 3.41Å; P511-R515 PolarHBondContact O-N 2.83Å |
| 512 | E | 92.9 | Very high | 95.7 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 178.5 | -62 | -52.1 | 139.9 | 0 | 0 | 112.5 | L402 P510 T516 | L402-E512 HydrophobicContact CB-CB 4.24Å; P510-E512 VanDerWaalsContact C-N 3.35Å; P510-E512 PolarHBondContact O-N 3.2Å; E512-T516 WeakPolarHBondContact O-CB 3.41Å; E512-T516 PolarHBondContact O-N 3.02Å; E512-T516 PolarHBondContact O-OG1 2.69Å |
| 513 | N | 94.6 | Very high | 95.8 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -46.4 | 175.3 | -66 | 60 | 0 | 0 | 0 | 110.8 | L402 I478 L509 P510 P511 R515 T516 L517 | L402-N513 HydrophobicContact CD1-CB 4.41Å; I478-N513 PolarHBondContact O-ND2 3.34Å; L509-N513 HydrophobicContact CB-CB 4.27Å; P510-N513 HydrophobicContact CB-CB 4.45Å; P510-N513 WeakPolarHBondContact O-CB 3.41Å; P510-N513 PolarHBondContact O-N 3.49Å; P511-N513 VanDerWaalsContact C-N 3.32Å; P511-N513 PolarHBondContact O-N 3.12Å; N513-R515 PolarHBondContact O-N 3.44Å; N513-T516 PolarHBondContact O-N 2.86Å; N513-L517 WeakPolarHBondContact O-CB 3.38Å; N513-L517 PolarHBondContact O-N 3.46Å |
| 514 | Q | 94.8 | Very high | 95.9 | Very high | 72 Ų | 72 | 41.8 Ų | 41.8 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 177.4 | -70 | -172.3 | 45 | 0 | 0 | 111.5 | K507 L509 P510 P511 T516 L517 D518 | K507-Q514 PolarHBondContact O-NE2 3.2Å; L509-Q514 HydrophobicContact CB-CG 3.66Å; L509-Q514 PolarHBondContact O-NE2 3.31Å; P510-Q514 PolarHBondContact O-N 2.98Å; P511-Q514 PolarHBondContact O-N 2.76Å; Q514-T516 PolarHBondContact O-N 3.24Å; Q514-L517 PolarHBondContact O-N 3.33Å; Q514-D518 WeakPolarHBondContact O-CB 3.27Å; Q514-D518 PolarHBondContact O-N 3.23Å |
| 515 | R | 94.7 | Very high | 96 | Very high | 102 Ų | 102 | 40.5 Ų | 40.5 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.4 | -45.3 | 179.6 | -169.6 | -168.9 | 179.9 | -175.1 | -1.4 | 111.9 | D404 Y407 P511 N513 L519 | D404-R515 IonicContact OD1-NH1 2.86Å; D404-R515 PolarHBondContact OD1-NH1 3.41Å; Y407-R515 HydrophobicContact CD2-CG 4.24Å; Y407-R515 HydrophobicContact CE2-CB 4.43Å; Y407-R515 HydrophobicContact CE2-CG 3.6Å; P511-R515 WeakPolarHBondContact O-CB 3.41Å; P511-R515 PolarHBondContact O-N 2.83Å; N513-R515 PolarHBondContact O-N 3.44Å; R515-L519 PolarHBondContact O-N 2.78Å |
| 516 | T | 95.4 | Very high | 96 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.6 | -39.2 | 178.9 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | L402 L410 I478 E512 N513 Q514 L519 L520 | L402-T516 HydrophobicContact CD2-CG2 4Å; L410-T516 HydrophobicContact CD1-CG2 3.47Å; L410-T516 VanDerWaalsContact CD1-CG2 3.47Å; I478-T516 HydrophobicContact CD1-CG2 3.94Å; E512-T516 WeakPolarHBondContact O-CB 3.41Å; E512-T516 PolarHBondContact O-N 3.02Å; E512-T516 PolarHBondContact O-OG1 2.69Å; N513-T516 PolarHBondContact O-N 2.86Å; Q514-T516 PolarHBondContact O-N 3.24Å; T516-L519 PolarHBondContact O-N 2.99Å; T516-L520 PolarHBondContact O-N 2.85Å; T516-L520 VanDerWaalsContact O-N 3.12Å |
| 517 | L | 96.7 | Very high | 96 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 176.7 | -176.5 | 64.8 | 0 | 0 | 0 | 111.4 | I478 M479 L506 L509 N513 Q514 L519 L520 I521 L549 M573 F581 | I478-L517 HydrophobicContact CG2-CB 3.82Å; I478-L517 HydrophobicContact CG2-CD1 4.05Å; I478-L517 HydrophobicContact CG2-CG 4.42Å; M479-L517 HydrophobicContact CE-CD2 4.33Å; M479-L517 HydrophobicContact SD-CD1 3.97Å; M479-L517 HydrophobicContact SD-CD2 3.61Å; M479-L517 HydrophobicContact SD-CG 4.44Å; L506-L517 HydrophobicContact CD2-CD2 3.44Å; L506-L517 VanDerWaalsContact CD2-CD2 3.44Å; L509-L517 HydrophobicContact CD1-CD2 3.86Å; N513-L517 WeakPolarHBondContact O-CB 3.38Å; N513-L517 PolarHBondContact O-N 3.46Å; Q514-L517 PolarHBondContact O-N 3.33Å; L517-L519 VanDerWaalsContact C-N 3.34Å; L517-L519 PolarHBondContact O-N 3.15Å; L517-L520 PolarHBondContact O-N 2.62Å; L517-L520 VanDerWaalsContact O-N 3.14Å; L517-I521 HydrophobicContact CD1-CD1 4.09Å; L517-I521 HydrophobicContact CD1-CG1 3.83Å; L517-I521 HydrophobicContact CG-CG1 4.06Å; L517-I521 WeakPolarHBondContact O-CG1 3.49Å; L517-I521 PolarHBondContact O-N 3.16Å; L517-L549 HydrophobicContact CD1-CD2 4.42Å; L517-M573 HydrophobicContact CD1-SD 4.43Å; L517-M573 HydrophobicContact CD2-SD 4.13Å; L517-F581 HydrophobicContact CD2-CZ 4.1Å; L517-F581 HydrophobicContact CG-CZ 4.17Å |
| 518 | D | 96.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.2 | -49.5 | 175.4 | 169.9 | 50.4 | 0 | 0 | 0 | 111.5 | Q514 L520 I521 R522 Y577 F581 H584 | Q514-D518 WeakPolarHBondContact O-CB 3.27Å; Q514-D518 PolarHBondContact O-N 3.23Å; D518-L520 VanDerWaalsContact C-N 3.26Å; D518-L520 PolarHBondContact O-N 2.73Å; D518-I521 PolarHBondContact O-N 2.85Å; D518-R522 VanDerWaalsContact O-CB 3.25Å; D518-R522 WeakPolarHBondContact O-CB 3.43Å; D518-R522 PolarHBondContact O-N 3.28Å; D518-Y577 WeakPolarHBondContact OD1-CE2 3.49Å; D518-Y577 VanDerWaalsContact OD1-CZ 3.31Å; D518-Y577 PolarHBondContact OD1-OH 3.39Å; D518-F581 HydrophobicContact CB-CD1 3.67Å; D518-F581 HydrophobicContact CB-CE1 4.04Å; D518-F581 HydrophobicContact CB-CG 4.39Å; D518-F581 WeakPolarHBondContact OD1-CB 3.4Å; D518-H584 WeakPolarHBondContact OD2-CB 3.4Å; D518-H584 IonicContact OD2-CD2 2.75Å; D518-H584 PolarHBondContact OD2-CD2 3.18Å; D518-H584 IonicContact OD2-CG 3.43Å; D518-H584 IonicContact OD2-NE2 3.7Å |
| 519 | L | 96.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.3 | -44.1 | 176.7 | 174.6 | 63.8 | 0 | 0 | 0 | 112 | Y407 L410 Q411 I414 R515 T516 L517 H523 | Y407-L519 HydrophobicContact CD2-CD2 4.3Å; Y407-L519 HydrophobicContact CE2-CB 4.1Å; Y407-L519 HydrophobicContact CE2-CD2 3.78Å; L410-L519 HydrophobicContact CB-CD2 4.17Å; Q411-L519 HydrophobicContact CB-CD2 4.03Å; I414-L519 HydrophobicContact CD1-CD1 4.18Å; I414-L519 HydrophobicContact CD1-CD2 4.16Å; I414-L519 HydrophobicContact CD1-CG 3.73Å; R515-L519 PolarHBondContact O-N 2.78Å; T516-L519 PolarHBondContact O-N 2.99Å; L517-L519 VanDerWaalsContact C-N 3.34Å; L517-L519 PolarHBondContact O-N 3.15Å; L519-H523 PolarHBondContact O-N 2.78Å |
| 520 | L | 97.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.2 | -51 | 179.7 | 178.5 | 66.1 | 0 | 0 | 0 | 112.3 | L467 I471 T516 L517 D518 R522 H523 L524 F545 L549 | L467-L520 HydrophobicContact CD2-CD1 4.1Å; I471-L520 HydrophobicContact CD1-CD1 4.03Å; I471-L520 HydrophobicContact CD1-CD2 3.74Å; T516-L520 PolarHBondContact O-N 2.85Å; T516-L520 VanDerWaalsContact O-N 3.12Å; L517-L520 PolarHBondContact O-N 2.62Å; L517-L520 VanDerWaalsContact O-N 3.14Å; D518-L520 VanDerWaalsContact C-N 3.26Å; D518-L520 PolarHBondContact O-N 2.73Å; L520-R522 VanDerWaalsContact C-N 3.27Å; L520-R522 PolarHBondContact O-N 3.49Å; L520-H523 WeakPolarHBondContact O-CA 3.49Å; L520-H523 WeakPolarHBondContact O-CB 3.49Å; L520-H523 PolarHBondContact O-N 2.66Å; L520-L524 HydrophobicContact CD1-CD1 4.34Å; L520-L524 HydrophobicContact CD1-CG 4.23Å; L520-L524 HydrophobicContact CG-CD1 4.16Å; L520-L524 HydrophobicContact CG-CG 4.36Å; L520-L524 WeakPolarHBondContact O-CG 3.37Å; L520-L524 PolarHBondContact O-N 3.15Å; L520-F545 HydrophobicContact CD1-CD1 4.41Å; L520-F545 HydrophobicContact CD1-CE1 3.94Å; L520-F545 HydrophobicContact CD2-CD1 4.4Å; L520-L549 HydrophobicContact CD2-CD1 4.05Å; L520-L549 HydrophobicContact CD2-CD2 3.64Å; L520-L549 HydrophobicContact CD2-CG 4.29Å |
| 521 | I | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -35.2 | -177.1 | -59.6 | -56.4 | 0 | 0 | 0 | 110.5 | L517 D518 H523 L524 S525 M573 I574 Y577 F581 | L517-I521 HydrophobicContact CD1-CD1 4.09Å; L517-I521 HydrophobicContact CD1-CG1 3.83Å; L517-I521 HydrophobicContact CG-CG1 4.06Å; L517-I521 WeakPolarHBondContact O-CG1 3.49Å; L517-I521 PolarHBondContact O-N 3.16Å; D518-I521 PolarHBondContact O-N 2.85Å; I521-H523 VanDerWaalsContact C-N 3.31Å; I521-H523 PolarHBondContact O-N 2.76Å; I521-L524 HydrophobicContact CD1-CD1 4.39Å; I521-L524 PolarHBondContact O-N 3.28Å; I521-S525 VanDerWaalsContact O-CB 3.3Å; I521-S525 WeakPolarHBondContact O-CB 3.43Å; I521-S525 PolarHBondContact O-N 2.83Å; I521-M573 HydrophobicContact CD1-CB 4.03Å; I521-M573 HydrophobicContact CD1-CE 4.1Å; I521-M573 HydrophobicContact CD1-SD 4.34Å; I521-M573 HydrophobicContact CG1-CB 4.2Å; I521-M573 HydrophobicContact CG1-SD 4.37Å; I521-M573 HydrophobicContact CG2-CB 3.99Å; I521-M573 VanDerWaalsContact CG2-O 3.3Å; I521-M573 WeakPolarHBondContact CG2-O 3.3Å; I521-I574 HydrophobicContact CG2-CG1 4.42Å; I521-Y577 HydrophobicContact CB-CD2 4.07Å; I521-Y577 HydrophobicContact CB-CE2 4.47Å; I521-Y577 HydrophobicContact CG2-CD2 3.61Å; I521-Y577 HydrophobicContact CG2-CE2 4.47Å; I521-Y577 HydrophobicContact CG2-CG 4.34Å; I521-F581 HydrophobicContact CB-CE2 4.36Å; I521-F581 HydrophobicContact CG1-CE2 4.43Å; I521-F581 HydrophobicContact CG2-CE2 4.29Å |
| 522 | R | 97.3 | Very high | 96.4 | Very high | 67 Ų | 67 | 38.1 Ų | 38.1 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.4 | -46.7 | 170.8 | -171.4 | -178.9 | 59.6 | 69.5 | 2.3 | 111.7 | E418 D518 L520 S525 S526 Y577 | E418-R522 IonicContact OE1-NH1 3.25Å; D518-R522 VanDerWaalsContact O-CB 3.25Å; D518-R522 WeakPolarHBondContact O-CB 3.43Å; D518-R522 PolarHBondContact O-N 3.28Å; L520-R522 VanDerWaalsContact C-N 3.27Å; L520-R522 PolarHBondContact O-N 3.49Å; R522-S525 PolarHBondContact O-N 3.42Å; R522-S526 PolarHBondContact O-N 3.42Å; R522-Y577 HydrophobicContact CB-CE1 4.16Å; R522-Y577 HydrophobicContact CB-CE2 3.77Å; R522-Y577 WeakPolarHBondContact CB-OH 3.46Å; R522-Y577 HydrophobicContact CG-CE1 4.01Å; R522-Y577 HydrophobicContact CG-CE2 4.5Å |
| 523 | H | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 177.8 | 175.9 | 58.9 | 0 | 0 | 0 | 111.6 | I414 E418 Y428 L519 L520 I521 S525 S526 V527 | I414-H523 HydrophobicContact CD1-CB 4.09Å; I414-H523 HydrophobicContact CG1-CB 4.24Å; I414-H523 HydrophobicContact CG2-CB 3.8Å; E418-H523 VanDerWaalsContact CG-CE1 3.47Å; E418-H523 WeakPolarHBondContact CG-CE1 3.34Å; E418-H523 WeakPolarHBondContact CG-ND1 3.4Å; E418-H523 IonicContact OE1-CE1 3.49Å; E418-H523 IonicContact OE1-CG 2.74Å; E418-H523 IonicContact OE1-ND1 3.59Å; E418-H523 PolarHBondContact OE1-ND1 3.04Å; Y428-H523 AromaticContact CE2-NE2 3.68Å; Y428-H523 AromaticContact CZ-NE2 3.63Å; Y428-H523 PolarHBondContact OH-CD2 2.87Å; Y428-H523 VanDerWaalsContact OH-CD2 3.24Å; Y428-H523 PolarHBondContact OH-NE2 3.47Å; L519-H523 PolarHBondContact O-N 2.78Å; L520-H523 WeakPolarHBondContact O-CA 3.49Å; L520-H523 WeakPolarHBondContact O-CB 3.49Å; L520-H523 PolarHBondContact O-N 2.66Å; I521-H523 VanDerWaalsContact C-N 3.31Å; I521-H523 PolarHBondContact O-N 2.76Å; H523-S525 VanDerWaalsContact C-N 3.31Å; H523-S525 PolarHBondContact O-N 3.47Å; H523-S526 WeakPolarHBondContact O-CA 3.31Å; H523-S526 VanDerWaalsContact O-CB 3.25Å; H523-S526 WeakPolarHBondContact O-CB 3.39Å; H523-S526 PolarHBondContact O-N 3.36Å; H523-S526 VanDerWaalsContact O-N 3.1Å; H523-V527 WeakPolarHBondContact NE2-CG2 3.34Å; H523-V527 WeakPolarHBondContact O-CG2 3.38Å; H523-V527 PolarHBondContact O-N 2.87Å |
| 524 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -35 | 179.1 | -61.7 | -176.7 | 0 | 0 | 0 | 112.5 | Y428 L520 I521 S526 V527 A528 L541 F545 V570 I574 | Y428-L524 HydrophobicContact CE2-CD2 4.33Å; L520-L524 HydrophobicContact CD1-CD1 4.34Å; L520-L524 HydrophobicContact CD1-CG 4.23Å; L520-L524 HydrophobicContact CG-CD1 4.16Å; L520-L524 HydrophobicContact CG-CG 4.36Å; L520-L524 WeakPolarHBondContact O-CG 3.37Å; L520-L524 PolarHBondContact O-N 3.15Å; I521-L524 HydrophobicContact CD1-CD1 4.39Å; I521-L524 PolarHBondContact O-N 3.28Å; L524-S526 VanDerWaalsContact C-N 3.34Å; L524-V527 PolarHBondContact O-N 3.37Å; L524-A528 WeakPolarHBondContact O-CB 3.39Å; L524-A528 PolarHBondContact O-N 3.15Å; L524-L541 HydrophobicContact CB-CD1 4.43Å; L524-L541 HydrophobicContact CD2-CD2 4.36Å; L524-L541 WeakPolarHBondContact O-CD1 3.46Å; L524-F545 HydrophobicContact CD1-CB 4.37Å; L524-F545 HydrophobicContact CD1-CD1 4.34Å; L524-F545 HydrophobicContact CD1-CD2 3.96Å; L524-F545 HydrophobicContact CD1-CE2 4.31Å; L524-F545 HydrophobicContact CD1-CG 3.97Å; L524-F545 HydrophobicContact CD2-CD2 3.89Å; L524-F545 HydrophobicContact CD2-CE1 4.4Å; L524-F545 HydrophobicContact CD2-CE2 3.43Å; L524-F545 VanDerWaalsContact CD2-CE2 3.43Å; L524-F545 HydrophobicContact CD2-CZ 3.71Å; L524-V570 HydrophobicContact CD1-CG1 4.48Å; L524-I574 HydrophobicContact CB-CD1 3.8Å; L524-I574 HydrophobicContact CB-CG1 3.86Å; L524-I574 HydrophobicContact CD1-CD1 4.1Å |
| 525 | S | 97.5 | Very high | 96.5 | Very high | 28 Ų | 28 | 40 Ų | 40 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 171.6 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | I521 R522 H523 A528 A529 I574 | I521-S525 VanDerWaalsContact O-CB 3.3Å; I521-S525 WeakPolarHBondContact O-CB 3.43Å; I521-S525 PolarHBondContact O-N 2.83Å; R522-S525 PolarHBondContact O-N 3.42Å; H523-S525 VanDerWaalsContact C-N 3.31Å; H523-S525 PolarHBondContact O-N 3.47Å; S525-A528 PolarHBondContact O-N 3.22Å; S525-A529 PolarHBondContact O-N 3.17Å; S525-I574 PolarHBondContact OG-O 2.9Å |
| 526 | S | 96.7 | Very high | 96.5 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 29% | 0.287 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 172.3 | -162.7 | 0 | 0 | 0 | 0 | 111.5 | I422 R522 H523 L524 A528 A529 Y530 | I422-S526 WeakPolarHBondContact CD1-OG 3.34Å; R522-S526 PolarHBondContact O-N 3.42Å; H523-S526 WeakPolarHBondContact O-CA 3.31Å; H523-S526 VanDerWaalsContact O-CB 3.25Å; H523-S526 WeakPolarHBondContact O-CB 3.39Å; H523-S526 PolarHBondContact O-N 3.36Å; H523-S526 VanDerWaalsContact O-N 3.1Å; L524-S526 VanDerWaalsContact C-N 3.34Å; S526-A528 VanDerWaalsContact C-N 3.35Å; S526-A528 PolarHBondContact O-N 2.77Å; S526-A529 WeakPolarHBondContact O-CB 3.48Å; S526-A529 PolarHBondContact O-N 3.21Å; S526-Y530 WeakPolarHBondContact O-CD2 3.46Å |
| 527 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 176.8 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | I422 I427 Y428 H523 L524 A529 Y530 N534 M536 L541 | I422-V527 HydrophobicContact CG1-CB 4.47Å; I422-V527 HydrophobicContact CG1-CG2 4.06Å; I427-V527 HydrophobicContact CG2-CG1 3.66Å; Y428-V527 HydrophobicContact CE2-CG2 4.21Å; H523-V527 WeakPolarHBondContact NE2-CG2 3.34Å; H523-V527 WeakPolarHBondContact O-CG2 3.38Å; H523-V527 PolarHBondContact O-N 2.87Å; L524-V527 PolarHBondContact O-N 3.37Å; V527-A529 VanDerWaalsContact C-N 3.27Å; V527-A529 PolarHBondContact O-N 3.43Å; V527-Y530 PolarHBondContact O-N 3.16Å; V527-N534 PolarHBondContact O-ND2 2.96Å; V527-M536 HydrophobicContact CG1-CB 4.28Å; V527-L541 HydrophobicContact CB-CD1 4.16Å; V527-L541 HydrophobicContact CG1-CD1 4.01Å; V527-L541 HydrophobicContact CG1-CD2 4.09Å |
| 528 | A | 97.5 | Very high | 96.6 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -31.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L524 S525 S526 Y530 S531 P538 L541 I574 | L524-A528 WeakPolarHBondContact O-CB 3.39Å; L524-A528 PolarHBondContact O-N 3.15Å; S525-A528 PolarHBondContact O-N 3.22Å; S526-A528 VanDerWaalsContact C-N 3.35Å; S526-A528 PolarHBondContact O-N 2.77Å; A528-Y530 PolarHBondContact O-N 3.19Å; A528-S531 WeakPolarHBondContact O-CB 3.43Å; A528-S531 PolarHBondContact O-N 3.24Å; A528-S531 PolarHBondContact O-OG 3.38Å; A528-P538 HydrophobicContact CB-CG 3.84Å; A528-L541 HydrophobicContact CB-CD1 4.01Å; A528-I574 HydrophobicContact CB-CG2 3.84Å |
| 529 | A | 96.8 | Very high | 96.5 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 68% | 0.678 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.9 | -21.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S525 S526 V527 | S525-A529 PolarHBondContact O-N 3.17Å; S526-A529 WeakPolarHBondContact O-CB 3.48Å; S526-A529 PolarHBondContact O-N 3.21Å; V527-A529 VanDerWaalsContact C-N 3.27Å; V527-A529 PolarHBondContact O-N 3.43Å |
| 530 | Y | 96.9 | Very high | 96.5 | Very high | 89 Ų | 89 | 39.5 Ų | 39.5 | 35% | 0.349 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 17.3 | 175.3 | -69.2 | -83.6 | 0 | 0 | 0 | 113.2 | I422 Q423 S526 V527 A528 Q532 M533 N534 | I422-Y530 HydrophobicContact CD1-CD2 3.72Å; I422-Y530 HydrophobicContact CD1-CE2 3.87Å; I422-Y530 HydrophobicContact CG1-CD2 3.78Å; I422-Y530 HydrophobicContact CG1-CE2 4.32Å; I422-Y530 HydrophobicContact CG1-CG 4.49Å; I422-Y530 HydrophobicContact CG2-CD2 4.03Å; I422-Y530 HydrophobicContact CG2-CE2 4.09Å; I422-Y530 HydrophobicContact CG2-CG 4.42Å; Q423-Y530 HydrophobicContact CG-CD1 4.01Å; Q423-Y530 HydrophobicContact CG-CE1 4.33Å; Q423-Y530 HydrophobicContact CG-CG 4.47Å; S526-Y530 WeakPolarHBondContact O-CD2 3.46Å; V527-Y530 PolarHBondContact O-N 3.16Å; A528-Y530 PolarHBondContact O-N 3.19Å; Y530-Q532 PolarHBondContact O-N 3.41Å; Y530-M533 HydrophobicContact CD1-CE 3.47Å; Y530-M533 VanDerWaalsContact CD1-CE 3.47Å; Y530-M533 HydrophobicContact CE1-CE 4.04Å; Y530-M533 PolarHBondContact O-N 3.37Å; Y530-N534 VanDerWaalsContact O-CG 3.27Å; Y530-N534 PolarHBondContact O-N 2.8Å; Y530-N534 PolarHBondContact O-ND2 2.76Å; Y530-N534 PolarHBondContact O-OD1 2.95Å |
| 531 | S | 96 | Very high | 96.4 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 22% | 0.217 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.9 | -25.2 | -175.7 | 68.7 | 0 | 0 | 0 | 0 | 114.7 | A528 M533 N534 H535 | A528-S531 WeakPolarHBondContact O-CB 3.43Å; A528-S531 PolarHBondContact O-N 3.24Å; A528-S531 PolarHBondContact O-OG 3.38Å; S531-M533 VanDerWaalsContact C-N 3.29Å; S531-M533 PolarHBondContact O-N 3.24Å; S531-N534 VanDerWaalsContact CA-OD1 3.25Å; S531-N534 WeakPolarHBondContact CA-OD1 3.48Å; S531-H535 WeakPolarHBondContact O-CA 3.4Å; S531-H535 PolarHBondContact O-N 2.8Å |
| 532 | Q | 94.4 | Very high | 96.4 | Very high | 166 Ų | 166 | 39.3 Ų | 39.3 | 78% | 0.776 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -69.1 | -26.5 | 177 | -61.7 | -60.1 | -17.1 | 0 | 0 | 113.2 | Y530 | Y530-Q532 PolarHBondContact O-N 3.41Å |
| 533 | M | 94.4 | Very high | 96.3 | Very high | 95 Ų | 95 | 36.7 Ų | 36.7 | 47% | 0.468 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -102.3 | -42.8 | 177.5 | -66.3 | -168.4 | -68.9 | 0 | 0 | 112.1 | Q423 Y530 S531 | Q423-M533 HydrophobicContact CB-CE 4.13Å; Q423-M533 VanDerWaalsContact CD-CE 3.47Å; Q423-M533 HydrophobicContact CG-CE 3.64Å; Y530-M533 HydrophobicContact CD1-CE 3.47Å; Y530-M533 VanDerWaalsContact CD1-CE 3.47Å; Y530-M533 HydrophobicContact CE1-CE 4.04Å; Y530-M533 PolarHBondContact O-N 3.37Å; S531-M533 VanDerWaalsContact C-N 3.29Å; S531-M533 PolarHBondContact O-N 3.24Å |
| 534 | N | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -89 | -9.5 | -176.1 | 68.2 | 29.4 | 0 | 0 | 0 | 113.7 | I422 V424 G426 I427 V527 Y530 S531 M536 | I422-N534 PolarHBondContact O-ND2 2.93Å; V424-N534 WeakPolarHBondContact O-CB 3.38Å; G426-N534 PolarHBondContact N-O 2.88Å; I427-N534 HydrophobicContact CG2-CB 4.2Å; V527-N534 PolarHBondContact O-ND2 2.96Å; Y530-N534 VanDerWaalsContact O-CG 3.27Å; Y530-N534 PolarHBondContact O-N 2.8Å; Y530-N534 PolarHBondContact O-ND2 2.76Å; Y530-N534 PolarHBondContact O-OD1 2.95Å; S531-N534 VanDerWaalsContact CA-OD1 3.25Å; S531-N534 WeakPolarHBondContact CA-OD1 3.48Å; N534-M536 PolarHBondContact O-N 3.35Å; N534-M536 WeakPolarHBondContact OD1-CA 3.32Å; N534-M536 WeakPolarHBondContact OD1-CB 3.2Å; N534-M536 PolarHBondContact OD1-N 2.87Å |
| 535 | H | 94.1 | Very high | 96.1 | Very high | 106 Ų | 106 | 37.6 Ų | 37.6 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | trans | 59.9 | 21.5 | -177.5 | -56 | -46.8 | 0 | 0 | 0 | 115.4 | E425 S531 N540 | E425-H535 IonicContact OE1-CD2 3.07Å; S531-H535 WeakPolarHBondContact O-CA 3.4Å; S531-H535 PolarHBondContact O-N 2.8Å; H535-N540 PolarHBondContact O-ND2 3.06Å | ||
| 536 | M | 95.8 | Very high | 96 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -110.8 | 86.2 | 178.2 | -64.9 | -58 | -64 | 0 | 0 | 110.8 | I427 R429 V527 N534 N540 L541 V544 | I427-M536 HydrophobicContact CG2-CB 4.39Å; I427-M536 HydrophobicContact CG2-CG 3.91Å; I427-M536 WeakPolarHBondContact O-CG 3.39Å; R429-M536 WeakPolarHBondContact CD-SD 3.33Å; R429-M536 HydrophobicContact CG-CE 3.73Å; R429-M536 HydrophobicContact CG-SD 3.69Å; V527-M536 HydrophobicContact CG1-CB 4.28Å; N534-M536 PolarHBondContact O-N 3.35Å; N534-M536 WeakPolarHBondContact OD1-CA 3.32Å; N534-M536 WeakPolarHBondContact OD1-CB 3.2Å; N534-M536 PolarHBondContact OD1-N 2.87Å; M536-N540 HydrophobicContact CE-CB 3.85Å; M536-N540 HydrophobicContact SD-CB 4.23Å; M536-L541 HydrophobicContact CB-CD2 4.07Å; M536-L541 HydrophobicContact CB-CG 4.16Å; M536-L541 HydrophobicContact CE-CD2 3.68Å; M536-L541 HydrophobicContact CE-CG 4.14Å; M536-V544 HydrophobicContact CE-CG2 4.27Å | ||
| 537 | N | 95.6 | Very high | 95.7 | Very high | 60 Ų | 60 | 35 Ų | 35 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | trans | -74.4 | 169 | 171.5 | 69.7 | 36.5 | 0 | 0 | 0 | 111.4 | S539 N540 L541 | N537-S539 VanDerWaalsContact C-N 3.3Å; N537-S539 PolarHBondContact O-N 2.97Å; N537-S539 WeakPolarHBondContact OD1-CB 3.45Å; N537-S539 PolarHBondContact OD1-N 3.37Å; N537-S539 VanDerWaalsContact OD1-N 3.1Å; N537-N540 PolarHBondContact O-N 2.86Å; N537-N540 VanDerWaalsContact OD1-CG 3.29Å; N537-N540 PolarHBondContact OD1-N 2.99Å; N537-N540 PolarHBondContact OD1-OD1 3.42Å; N537-L541 WeakPolarHBondContact O-CG 3.33Å; N537-L541 PolarHBondContact O-N 2.96Å | ||
| 538 | P | 97.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.4 | -39.8 | 179 | -30.4 | 37.8 | 0 | 0 | 0 | 115 | A528 L541 G542 E571 I574 I575 | A528-P538 HydrophobicContact CB-CG 3.84Å; P538-L541 PolarHBondContact O-N 3.13Å; P538-G542 PolarHBondContact O-N 3.01Å; P538-E571 HydrophobicContact CB-CG 4.05Å; P538-I574 HydrophobicContact CB-CB 4.1Å; P538-I574 HydrophobicContact CB-CG2 3.74Å; P538-I574 HydrophobicContact CG-CG2 3.84Å; P538-I575 HydrophobicContact CB-CD1 4.26Å; P538-I575 HydrophobicContact CB-CG1 3.79Å; P538-I575 HydrophobicContact CG-CG1 3.9Å |
| 539 | S | 95.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 6% | 0.056 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -50.5 | 176.2 | 160.7 | 0 | 0 | 0 | 0 | 111.8 | R242 N537 L541 G542 I543 | R242-S539 WeakPolarHBondContact CD-OG 3.08Å; R242-S539 WeakPolarHBondContact CG-OG 3.11Å; N537-S539 VanDerWaalsContact C-N 3.3Å; N537-S539 PolarHBondContact O-N 2.97Å; N537-S539 WeakPolarHBondContact OD1-CB 3.45Å; N537-S539 PolarHBondContact OD1-N 3.37Å; N537-S539 VanDerWaalsContact OD1-N 3.1Å; S539-L541 VanDerWaalsContact C-N 3.29Å; S539-L541 PolarHBondContact O-N 3.43Å; S539-G542 WeakPolarHBondContact O-CA 3.27Å; S539-G542 PolarHBondContact O-N 3.39Å; S539-I543 WeakPolarHBondContact O-CG1 3.38Å; S539-I543 PolarHBondContact O-N 3.34Å |
| 540 | N | 95.3 | Very high | 95.1 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | -179.3 | -65.2 | 5.3 | 0 | 0 | 0 | 110.6 | E245 H535 M536 N537 G542 I543 V544 | E245-N540 PolarHBondContact OE2-OD1 3.46Å; H535-N540 PolarHBondContact O-ND2 3.06Å; M536-N540 HydrophobicContact CE-CB 3.85Å; M536-N540 HydrophobicContact SD-CB 4.23Å; N537-N540 PolarHBondContact O-N 2.86Å; N537-N540 VanDerWaalsContact OD1-CG 3.29Å; N537-N540 PolarHBondContact OD1-N 2.99Å; N537-N540 PolarHBondContact OD1-OD1 3.42Å; N540-G542 VanDerWaalsContact C-N 3.32Å; N540-I543 PolarHBondContact O-N 3.5Å; N540-V544 VanDerWaalsContact O-CG2 3.31Å; N540-V544 WeakPolarHBondContact O-CG2 3.34Å; N540-V544 PolarHBondContact O-N 3Å |
| 541 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 174 | -68.1 | 170 | 0 | 0 | 0 | 111.7 | Y428 L524 V527 A528 M536 N537 P538 S539 V544 F545 I574 | Y428-L541 HydrophobicContact CD2-CD2 4.12Å; L524-L541 HydrophobicContact CB-CD1 4.43Å; L524-L541 HydrophobicContact CD2-CD2 4.36Å; L524-L541 WeakPolarHBondContact O-CD1 3.46Å; V527-L541 HydrophobicContact CB-CD1 4.16Å; V527-L541 HydrophobicContact CG1-CD1 4.01Å; V527-L541 HydrophobicContact CG1-CD2 4.09Å; A528-L541 HydrophobicContact CB-CD1 4.01Å; M536-L541 HydrophobicContact CB-CD2 4.07Å; M536-L541 HydrophobicContact CB-CG 4.16Å; M536-L541 HydrophobicContact CE-CD2 3.68Å; M536-L541 HydrophobicContact CE-CG 4.14Å; N537-L541 WeakPolarHBondContact O-CG 3.33Å; N537-L541 PolarHBondContact O-N 2.96Å; P538-L541 PolarHBondContact O-N 3.13Å; S539-L541 VanDerWaalsContact C-N 3.29Å; S539-L541 PolarHBondContact O-N 3.43Å; L541-V544 PolarHBondContact O-N 2.84Å; L541-F545 WeakPolarHBondContact O-CB 3.22Å; L541-F545 WeakPolarHBondContact O-CD2 3.38Å; L541-F545 PolarHBondContact O-N 3.18Å; L541-I574 HydrophobicContact CB-CD1 3.78Å; L541-I574 HydrophobicContact CD1-CD1 4.35Å |
| 542 | G | 97 | Very high | 94 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.1 | -51.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P538 S539 N540 V544 F545 A546 | P538-G542 PolarHBondContact O-N 3.01Å; S539-G542 WeakPolarHBondContact O-CA 3.27Å; S539-G542 PolarHBondContact O-N 3.39Å; N540-G542 VanDerWaalsContact C-N 3.32Å; G542-V544 VanDerWaalsContact C-N 3.27Å; G542-V544 PolarHBondContact O-N 3.19Å; G542-F545 PolarHBondContact O-N 3.04Å; G542-A546 WeakPolarHBondContact O-CB 3.34Å; G542-A546 PolarHBondContact O-N 2.78Å |
| 543 | I | 95 | Very high | 93.1 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57 | -41.2 | 177.1 | -64.9 | 170.3 | 0 | 0 | 0 | 111.3 | E245 N246 Q249 S539 N540 P547 | E245-I543 HydrophobicContact CB-CD1 3.87Å; N246-I543 HydrophobicContact CB-CD1 4.44Å; Q249-I543 HydrophobicContact CB-CG2 4Å; Q249-I543 HydrophobicContact CG-CG2 4.4Å; S539-I543 WeakPolarHBondContact O-CG1 3.38Å; S539-I543 PolarHBondContact O-N 3.34Å; N540-I543 PolarHBondContact O-N 3.5Å; I543-P547 WeakPolarHBondContact O-CD 3.43Å |
| 544 | V | 94.7 | Very high | 92.1 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 12% | 0.115 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.3 | -38.8 | -177.4 | 173.5 | 0 | 0 | 0 | 0 | 113 | R429 K468 M536 N540 L541 G542 | R429-V544 HydrophobicContact CG-CG2 4.02Å; K468-V544 HydrophobicContact CD-CG1 3.67Å; M536-V544 HydrophobicContact CE-CG2 4.27Å; N540-V544 VanDerWaalsContact O-CG2 3.31Å; N540-V544 WeakPolarHBondContact O-CG2 3.34Å; N540-V544 PolarHBondContact O-N 3Å; L541-V544 PolarHBondContact O-N 2.84Å; G542-V544 VanDerWaalsContact C-N 3.27Å; G542-V544 PolarHBondContact O-N 3.19Å |
| 545 | F | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -95.7 | -26.7 | -172.1 | -85.7 | -90.1 | 0 | 0 | 0 | 114.5 | Y428 L467 K468 I471 L520 L524 L541 G542 P547 S548 L549 V570 | Y428-F545 AromaticContact CD1-CE2 3.71Å; Y428-F545 HydrophobicContact CD1-CE2 3.71Å; Y428-F545 AromaticContact CD1-CZ 3.51Å; Y428-F545 HydrophobicContact CD1-CZ 3.51Å; Y428-F545 AromaticContact CD2-CE2 3.92Å; Y428-F545 HydrophobicContact CD2-CE2 3.92Å; Y428-F545 HydrophobicContact CD2-CZ 4.29Å; Y428-F545 HydrophobicContact CE1-CE2 4.09Å; Y428-F545 AromaticContact CE1-CZ 3.51Å; Y428-F545 HydrophobicContact CE1-CZ 3.51Å; Y428-F545 HydrophobicContact CE2-CE2 4.28Å; Y428-F545 HydrophobicContact CE2-CZ 4.28Å; Y428-F545 AromaticContact CG-CE2 3.63Å; Y428-F545 HydrophobicContact CG-CE2 3.63Å; Y428-F545 AromaticContact CG-CZ 3.92Å; Y428-F545 HydrophobicContact CG-CZ 3.92Å; Y428-F545 AromaticContact CZ-CZ 3.9Å; L467-F545 HydrophobicContact CD2-CE1 4.33Å; L467-F545 HydrophobicContact CD2-CZ 4.25Å; K468-F545 HydrophobicContact CG-CD1 4.49Å; K468-F545 HydrophobicContact CG-CE1 3.9Å; K468-F545 HydrophobicContact CG-CZ 3.93Å; I471-F545 HydrophobicContact CD1-CE1 4.32Å; L520-F545 HydrophobicContact CD1-CD1 4.41Å; L520-F545 HydrophobicContact CD1-CE1 3.94Å; L520-F545 HydrophobicContact CD2-CD1 4.4Å; L524-F545 HydrophobicContact CD1-CB 4.37Å; L524-F545 HydrophobicContact CD1-CD1 4.34Å; L524-F545 HydrophobicContact CD1-CD2 3.96Å; L524-F545 HydrophobicContact CD1-CE2 4.31Å; L524-F545 HydrophobicContact CD1-CG 3.97Å; L524-F545 HydrophobicContact CD2-CD2 3.89Å; L524-F545 HydrophobicContact CD2-CE1 4.4Å; L524-F545 HydrophobicContact CD2-CE2 3.43Å; L524-F545 VanDerWaalsContact CD2-CE2 3.43Å; L524-F545 HydrophobicContact CD2-CZ 3.71Å; L541-F545 WeakPolarHBondContact O-CB 3.22Å; L541-F545 WeakPolarHBondContact O-CD2 3.38Å; L541-F545 PolarHBondContact O-N 3.18Å; G542-F545 PolarHBondContact O-N 3.04Å; F545-P547 VanDerWaalsContact C-CD 3.44Å; F545-P547 VanDerWaalsContact C-N 3.35Å; F545-S548 WeakPolarHBondContact O-CB 3.43Å; F545-S548 PolarHBondContact O-N 3.29Å; F545-L549 HydrophobicContact CB-CD1 4.15Å; F545-L549 PolarHBondContact O-N 3.34Å; F545-L549 VanDerWaalsContact O-N 3.07Å; F545-V570 HydrophobicContact CB-CG1 4.48Å |
| 546 | A | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -51 | -44.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G542 S548 L549 F550 T563 A566 V570 | G542-A546 WeakPolarHBondContact O-CB 3.34Å; G542-A546 PolarHBondContact O-N 2.78Å; A546-S548 PolarHBondContact O-N 2.9Å; A546-S548 VanDerWaalsContact O-N 3.15Å; A546-L549 PolarHBondContact O-N 3.41Å; A546-L549 VanDerWaalsContact O-N 3.13Å; A546-F550 PolarHBondContact O-N 3.43Å; A546-T563 HydrophobicContact CB-CG2 4.1Å; A546-A566 HydrophobicContact CB-CB 3.75Å; A546-V570 HydrophobicContact CB-CG2 4.19Å |
| 547 | P | 90.4 | Very high | 89.6 | Confident | 15 Ų | 15 | 35 Ų | 35 | 10% | 0.097 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -26.1 | 177.2 | -21.6 | 30.5 | 0 | 0 | 0 | 114.3 | Q249 I543 F545 R551 T563 | Q249-P547 HydrophobicContact CG-CG 3.85Å; I543-P547 WeakPolarHBondContact O-CD 3.43Å; F545-P547 VanDerWaalsContact C-CD 3.44Å; F545-P547 VanDerWaalsContact C-N 3.35Å; P547-R551 VanDerWaalsContact O-CG 3.26Å; P547-R551 WeakPolarHBondContact O-CG 3.28Å; P547-T563 HydrophobicContact CG-CG2 3.98Å |
| 548 | S | 91 | Very high | 88.7 | Confident | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -86.1 | -34.7 | 178.1 | -56 | 0 | 0 | 0 | 0 | 111.6 | F545 A546 | F545-S548 WeakPolarHBondContact O-CB 3.43Å; F545-S548 PolarHBondContact O-N 3.29Å; A546-S548 PolarHBondContact O-N 2.9Å; A546-S548 VanDerWaalsContact O-N 3.15Å |
| 549 | L | 95.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -84.7 | -34.4 | -174.6 | -70.7 | 173.6 | 0 | 0 | 0 | 114.2 | I471 P477 I478 M479 L517 L520 F545 A546 V570 | I471-L549 HydrophobicContact CG2-CD2 3.89Å; P477-L549 WeakPolarHBondContact CB-O 3.4Å; I478-L549 HydrophobicContact CB-CD2 3.93Å; I478-L549 HydrophobicContact CD1-CD2 3.84Å; I478-L549 HydrophobicContact CG1-CD2 4.26Å; I478-L549 HydrophobicContact CG2-CD2 4.38Å; M479-L549 VanDerWaalsContact CB-O 3.3Å; M479-L549 WeakPolarHBondContact CB-O 3.25Å; M479-L549 HydrophobicContact CG-CB 4.16Å; M479-L549 VanDerWaalsContact CG-O 3.28Å; M479-L549 WeakPolarHBondContact CG-O 3.25Å; M479-L549 PolarHBondContact N-O 3.25Å; L517-L549 HydrophobicContact CD1-CD2 4.42Å; L520-L549 HydrophobicContact CD2-CD1 4.05Å; L520-L549 HydrophobicContact CD2-CD2 3.64Å; L520-L549 HydrophobicContact CD2-CG 4.29Å; F545-L549 HydrophobicContact CB-CD1 4.15Å; F545-L549 PolarHBondContact O-N 3.34Å; F545-L549 VanDerWaalsContact O-N 3.07Å; A546-L549 PolarHBondContact O-N 3.41Å; A546-L549 VanDerWaalsContact O-N 3.13Å; L549-V570 HydrophobicContact CD1-CG1 4.47Å; L549-V570 HydrophobicContact CD1-CG2 3.78Å |
| 550 | F | 93.7 | Very high | 87.2 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.044 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -118.5 | 41.2 | -170.1 | -71.4 | -91.3 | 0 | 0 | 0 | 112.6 | M479 H484 F487 M488 A546 S552 A566 A569 V570 M573 | M479-F550 HydrophobicContact CB-CD1 3.76Å; M479-F550 HydrophobicContact CB-CE1 3.79Å; M479-F550 HydrophobicContact CB-CG 4.25Å; M479-F550 HydrophobicContact CB-CZ 4.28Å; M479-F550 HydrophobicContact CE-CE1 3.68Å; M479-F550 HydrophobicContact CE-CE2 4.31Å; M479-F550 HydrophobicContact CE-CZ 3.43Å; M479-F550 VanDerWaalsContact CE-CZ 3.43Å; M479-F550 HydrophobicContact CG-CD1 3.86Å; M479-F550 HydrophobicContact CG-CD2 3.97Å; M479-F550 HydrophobicContact CG-CE1 3.63Å; M479-F550 HydrophobicContact CG-CE2 3.74Å; M479-F550 HydrophobicContact CG-CG 4.05Å; M479-F550 HydrophobicContact CG-CZ 3.59Å; M479-F550 HydrophobicContact SD-CE1 4.49Å; M479-F550 HydrophobicContact SD-CZ 4.15Å; H484-F550 PolarHBondContact CD2-O 2.88Å; H484-F550 VanDerWaalsContact CD2-O 3.31Å; H484-F550 PolarHBondContact NE2-O 3.33Å; F487-F550 HydrophobicContact CB-CD1 4.33Å; F487-F550 HydrophobicContact CB-CE1 3.71Å; F487-F550 HydrophobicContact CD1-CE1 4.19Å; F487-F550 AromaticContact CD2-CE1 3.91Å; F487-F550 HydrophobicContact CD2-CE1 3.91Å; F487-F550 AromaticContact CG-CE1 3.69Å; F487-F550 HydrophobicContact CG-CE1 3.69Å; M488-F550 HydrophobicContact CE-CB 3.97Å; M488-F550 HydrophobicContact CE-CD1 3.47Å; M488-F550 VanDerWaalsContact CE-CD1 3.47Å; M488-F550 HydrophobicContact CE-CE1 4.17Å; M488-F550 HydrophobicContact CE-CG 3.97Å; A546-F550 PolarHBondContact O-N 3.43Å; F550-S552 PolarHBondContact O-N 2.8Å; F550-A566 HydrophobicContact CB-CB 3.61Å; F550-A566 HydrophobicContact CD1-CB 4.32Å; F550-A566 HydrophobicContact CD2-CB 3.68Å; F550-A566 HydrophobicContact CE2-CB 4.37Å; F550-A566 HydrophobicContact CG-CB 3.63Å; F550-A569 HydrophobicContact CE1-CB 4.49Å; F550-A569 HydrophobicContact CE2-CB 4.19Å; F550-A569 HydrophobicContact CZ-CB 3.73Å; F550-V570 HydrophobicContact CD2-CG2 4.23Å; F550-V570 HydrophobicContact CE2-CG2 3.7Å; F550-M573 HydrophobicContact CE2-CE 4.17Å; F550-M573 HydrophobicContact CZ-CE 4.25Å |
| 551 | R | 87.3 | Confident | 86.6 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 23% | 0.234 | 21% | 0.205 | C | C | . | . | trans | -58.2 | 128.4 | 176 | -66.1 | -175.1 | -63.4 | 137 | 7.6 | 110.4 | R472 L474 P477 F481 P547 | R472-R551 PolarHBondContact O-NE 3.21Å; R472-R551 VanDerWaalsContact O-NE 3.16Å; R472-R551 PolarHBondContact O-NH1 2.89Å; L474-R551 PolarHBondContact O-NH2 3.25Å; P477-R551 HydrophobicContact CB-CB 4.21Å; P477-R551 HydrophobicContact CG-CB 4.35Å; F481-R551 VanDerWaalsContact CD1-O 3.31Å; F481-R551 WeakPolarHBondContact CD1-O 3.44Å; F481-R551 HydrophobicContact CE1-CB 4.35Å; F481-R551 VanDerWaalsContact CE1-O 3.28Å; F481-R551 WeakPolarHBondContact CE1-O 3.42Å; P547-R551 VanDerWaalsContact O-CG 3.26Å; P547-R551 WeakPolarHBondContact O-CG 3.28Å | ||
| 552 | S | 80.6 | Confident | 85.9 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | trans | -73 | 154.9 | 170.1 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | F481 F550 E554 A559 | F481-S552 WeakPolarHBondContact CE1-O 3.23Å; F550-S552 PolarHBondContact O-N 2.8Å; S552-E554 VanDerWaalsContact C-N 3.28Å; S552-E554 WeakPolarHBondContact CB-O 3.49Å; S552-E554 PolarHBondContact OG-O 3.37Å; S552-A559 WeakPolarHBondContact OG-CB 3.3Å | ||
| 553 | R | 77.1 | Confident | 85.4 | Confident | 169 Ų | 169 | 42.6 Ų | 42.6 | 64% | 0.638 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -68.6 | -32.7 | 172.1 | -178.4 | 174.2 | -70.6 | -91.5 | -1.8 | 111.6 | F481 | F481-R553 HydrophobicContact CD1-CB 4.01Å; F481-R553 HydrophobicContact CE1-CB 4.46Å; F481-R553 HydrophobicContact CG-CB 4.35Å |
| 554 | E | 73 | Confident | 85.2 | Confident | 112 Ų | 112 | 44.2 Ų | 44.2 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -96.1 | 123 | 175.2 | -171.3 | -170.9 | 156.9 | 0 | 0 | 110.2 | S552 S556 | S552-E554 VanDerWaalsContact C-N 3.28Å; S552-E554 WeakPolarHBondContact CB-O 3.49Å; S552-E554 PolarHBondContact OG-O 3.37Å; E554-S556 PolarHBondContact O-N 3.21Å; E554-S556 WeakPolarHBondContact OE1-CB 3.4Å |
| 555 | E | 73.7 | Confident | 85.1 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | trans | -85 | 85.1 | 172.2 | -66.8 | -177.1 | 174.6 | 0 | 0 | 110.1 | L257 K260 | L257-E555 HydrophobicContact CD1-CB 3.89Å; K260-E555 WeakPolarHBondContact CD-OE2 3.42Å; K260-E555 WeakPolarHBondContact CE-OE2 3.46Å; K260-E555 IonicContact NZ-OE1 3.5Å; K260-E555 PolarHBondContact NZ-OE1 2.86Å; K260-E555 IonicContact NZ-OE2 3.66Å; K260-E555 PolarHBondContact NZ-OE2 3.38Å | ||
| 556 | S | 78.5 | Confident | 84.9 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | trans | -126.6 | 160.3 | 179.5 | 72.3 | 0 | 0 | 0 | 0 | 112.2 | E554 A558 A559 I560 | E554-S556 PolarHBondContact O-N 3.21Å; E554-S556 WeakPolarHBondContact OE1-CB 3.4Å; S556-A558 PolarHBondContact O-N 3.18Å; S556-A559 PolarHBondContact O-N 3.45Å; S556-A559 PolarHBondContact OG-N 3.46Å; S556-I560 WeakPolarHBondContact O-CG1 3.34Å; S556-I560 PolarHBondContact O-N 3.41Å | ||
| 557 | V | 79.7 | Confident | 84.9 | Confident | 71 Ų | 71 | 44 Ų | 44 | 43% | 0.43 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.7 | -36 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 111 | A559 I560 M561 | V557-A559 VanDerWaalsContact C-N 3.34Å; V557-A559 PolarHBondContact O-N 3.22Å; V557-I560 PolarHBondContact O-N 2.95Å; V557-M561 HydrophobicContact CG1-CE 3.82Å; V557-M561 HydrophobicContact CG1-CG 4.38Å; V557-M561 HydrophobicContact CG1-SD 4.33Å; V557-M561 WeakPolarHBondContact O-CG 3.44Å; V557-M561 PolarHBondContact O-N 3.48Å |
| 558 | A | 78.4 | Confident | 85.1 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 53% | 0.529 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S556 M561 S562 | S556-A558 PolarHBondContact O-N 3.18Å; A558-M561 PolarHBondContact O-N 2.81Å; A558-S562 WeakPolarHBondContact O-CB 3.14Å; A558-S562 PolarHBondContact O-N 2.92Å; A558-S562 PolarHBondContact O-OG 3.26Å |
| 559 | A | 79.2 | Confident | 85.4 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S552 S556 V557 M561 S562 T563 | S552-A559 WeakPolarHBondContact OG-CB 3.3Å; S556-A559 PolarHBondContact O-N 3.45Å; S556-A559 PolarHBondContact OG-N 3.46Å; V557-A559 VanDerWaalsContact C-N 3.34Å; V557-A559 PolarHBondContact O-N 3.22Å; A559-M561 VanDerWaalsContact C-N 3.35Å; A559-M561 PolarHBondContact O-N 3.22Å; A559-S562 PolarHBondContact O-N 3.49Å; A559-S562 VanDerWaalsContact O-N 3.11Å; A559-T563 PolarHBondContact O-N 3.35Å; A559-T563 PolarHBondContact O-OG1 3Å |
| 560 | I | 81.5 | Confident | 85.5 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 175.3 | -64.4 | 168.9 | 0 | 0 | 0 | 110.4 | I250 E253 L257 S556 V557 S562 T563 | I250-I560 HydrophobicContact CB-CG2 4.13Å; I250-I560 HydrophobicContact CG1-CG2 4.11Å; I250-I560 HydrophobicContact CG2-CG2 3.91Å; E253-I560 HydrophobicContact CB-CD1 4.15Å; E253-I560 HydrophobicContact CB-CG1 4.25Å; E253-I560 HydrophobicContact CB-CG2 3.8Å; L257-I560 HydrophobicContact CB-CD1 4.12Å; L257-I560 HydrophobicContact CD2-CD1 3.69Å; S556-I560 WeakPolarHBondContact O-CG1 3.34Å; S556-I560 PolarHBondContact O-N 3.41Å; V557-I560 PolarHBondContact O-N 2.95Å; I560-S562 VanDerWaalsContact C-N 3.25Å; I560-S562 PolarHBondContact O-N 3Å; I560-T563 WeakPolarHBondContact O-CB 3.46Å; I560-T563 PolarHBondContact O-N 3.36Å; I560-T563 VanDerWaalsContact O-N 3.08Å; I560-T563 PolarHBondContact O-OG1 3.4Å |
| 561 | M | 82 | Confident | 85.6 | Confident | 106 Ų | 106 | 46 Ų | 46 | 52% | 0.522 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -31.3 | 177.3 | -73.1 | -177.8 | 175.8 | 0 | 0 | 113.1 | V557 A558 A559 T563 K564 | V557-M561 HydrophobicContact CG1-CE 3.82Å; V557-M561 HydrophobicContact CG1-CG 4.38Å; V557-M561 HydrophobicContact CG1-SD 4.33Å; V557-M561 WeakPolarHBondContact O-CG 3.44Å; V557-M561 PolarHBondContact O-N 3.48Å; A558-M561 PolarHBondContact O-N 2.81Å; A559-M561 VanDerWaalsContact C-N 3.35Å; A559-M561 PolarHBondContact O-N 3.22Å; M561-T563 PolarHBondContact O-N 2.81Å; M561-K564 WeakPolarHBondContact O-CG 3.38Å |
| 562 | S | 82.6 | Confident | 86.1 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75.8 | -11.4 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 113.2 | A558 A559 I560 K564 F565 | A558-S562 WeakPolarHBondContact O-CB 3.14Å; A558-S562 PolarHBondContact O-N 2.92Å; A558-S562 PolarHBondContact O-OG 3.26Å; A559-S562 PolarHBondContact O-N 3.49Å; A559-S562 VanDerWaalsContact O-N 3.11Å; I560-S562 VanDerWaalsContact C-N 3.25Å; I560-S562 PolarHBondContact O-N 3Å; S562-K564 PolarHBondContact O-N 3.47Å; S562-K564 VanDerWaalsContact O-N 3.08Å; S562-F565 WeakPolarHBondContact O-CD2 3.18Å; S562-F565 PolarHBondContact O-N 3.48Å |
| 563 | T | 86.8 | Confident | 86.9 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 16% | 0.16 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -22.7 | 177.2 | -50.1 | 0 | 0 | 0 | 0 | 112.5 | A546 P547 A559 I560 M561 F565 A566 S567 | A546-T563 HydrophobicContact CB-CG2 4.1Å; P547-T563 HydrophobicContact CG-CG2 3.98Å; A559-T563 PolarHBondContact O-N 3.35Å; A559-T563 PolarHBondContact O-OG1 3Å; I560-T563 WeakPolarHBondContact O-CB 3.46Å; I560-T563 PolarHBondContact O-N 3.36Å; I560-T563 VanDerWaalsContact O-N 3.08Å; I560-T563 PolarHBondContact O-OG1 3.4Å; M561-T563 PolarHBondContact O-N 2.81Å; T563-F565 PolarHBondContact O-N 3.44Å; T563-A566 HydrophobicContact CG2-CB 4.38Å; T563-A566 CarbonylContact O-C 3.58Å; T563-A566 WeakPolarHBondContact O-CA 3.43Å; T563-A566 VanDerWaalsContact O-CB 3.26Å; T563-A566 WeakPolarHBondContact O-CB 3.41Å; T563-A566 PolarHBondContact O-N 3.03Å; T563-S567 PolarHBondContact O-N 3.41Å; T563-S567 PolarHBondContact O-OG 3.36Å |
| 564 | K | 90.6 | Very high | 87.9 | Confident | 45 Ų | 45 | 35.3 Ų | 35.3 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.5 | -37.8 | 173.6 | 66.5 | -172.6 | -177.3 | 164.3 | 0 | 113.2 | T88 D91 M561 S562 S567 T568 | T88-K564 HydrophobicContact CG2-CB 4.11Å; T88-K564 HydrophobicContact CG2-CD 3.44Å; T88-K564 VanDerWaalsContact CG2-CD 3.44Å; T88-K564 HydrophobicContact CG2-CG 3.51Å; D91-K564 IonicContact OD2-NZ 2.78Å; D91-K564 PolarHBondContact OD2-NZ 3.01Å; M561-K564 WeakPolarHBondContact O-CG 3.38Å; S562-K564 PolarHBondContact O-N 3.47Å; S562-K564 VanDerWaalsContact O-N 3.08Å; K564-S567 WeakPolarHBondContact O-CB 3.3Å; K564-S567 PolarHBondContact O-N 2.81Å; K564-T568 PolarHBondContact O-N 3.35Å; K564-T568 PolarHBondContact O-OG1 3.19Å |
| 565 | F | 92.5 | Very high | 89 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71 | -35.8 | 175.5 | -62.3 | -68.2 | 0 | 0 | 0 | 112 | C86 T88 M488 M491 K492 S562 T563 S567 T568 A569 | C86-F565 HydrophobicContact CB-CE1 4.46Å; C86-F565 HydrophobicContact CB-CE2 4.44Å; C86-F565 HydrophobicContact CB-CZ 3.74Å; C86-F565 WeakPolarHBondContact O-CZ 2.88Å; T88-F565 HydrophobicContact CG2-CD1 4.08Å; T88-F565 HydrophobicContact CG2-CE1 3.7Å; T88-F565 HydrophobicContact CG2-CZ 4.09Å; M488-F565 HydrophobicContact SD-CB 3.91Å; M491-F565 HydrophobicContact CB-CB 3.96Å; M491-F565 HydrophobicContact CB-CD1 4.3Å; M491-F565 WeakPolarHBondContact CG-O 3.18Å; K492-F565 HydrophobicContact CG-CD1 3.91Å; K492-F565 HydrophobicContact CG-CD2 4.44Å; K492-F565 HydrophobicContact CG-CE1 3.62Å; K492-F565 HydrophobicContact CG-CE2 4.2Å; K492-F565 HydrophobicContact CG-CG 4.31Å; K492-F565 HydrophobicContact CG-CZ 3.78Å; S562-F565 WeakPolarHBondContact O-CD2 3.18Å; S562-F565 PolarHBondContact O-N 3.48Å; T563-F565 PolarHBondContact O-N 3.44Å; F565-S567 VanDerWaalsContact C-N 3.3Å; F565-S567 PolarHBondContact O-N 3.14Å; F565-T568 WeakPolarHBondContact O-CB 3.42Å; F565-T568 PolarHBondContact O-N 3.37Å; F565-A569 PolarHBondContact O-N 2.98Å |
| 566 | A | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M488 A546 F550 T563 T568 A569 V570 | M488-A566 HydrophobicContact CE-CB 3.79Å; M488-A566 HydrophobicContact SD-CB 4.28Å; A546-A566 HydrophobicContact CB-CB 3.75Å; F550-A566 HydrophobicContact CB-CB 3.61Å; F550-A566 HydrophobicContact CD1-CB 4.32Å; F550-A566 HydrophobicContact CD2-CB 3.68Å; F550-A566 HydrophobicContact CE2-CB 4.37Å; F550-A566 HydrophobicContact CG-CB 3.63Å; T563-A566 HydrophobicContact CG2-CB 4.38Å; T563-A566 CarbonylContact O-C 3.58Å; T563-A566 WeakPolarHBondContact O-CA 3.43Å; T563-A566 VanDerWaalsContact O-CB 3.26Å; T563-A566 WeakPolarHBondContact O-CB 3.41Å; T563-A566 PolarHBondContact O-N 3.03Å; A566-T568 PolarHBondContact O-N 2.89Å; A566-A569 WeakPolarHBondContact O-CB 3.4Å; A566-A569 PolarHBondContact O-N 3.39Å; A566-A569 VanDerWaalsContact O-N 3.17Å; A566-V570 WeakPolarHBondContact O-CG2 3.25Å; A566-V570 PolarHBondContact O-N 3.34Å |
| 567 | S | 95 | Very high | 90.9 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 174.3 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | T563 K564 F565 A569 V570 E571 | T563-S567 PolarHBondContact O-N 3.41Å; T563-S567 PolarHBondContact O-OG 3.36Å; K564-S567 WeakPolarHBondContact O-CB 3.3Å; K564-S567 PolarHBondContact O-N 2.81Å; F565-S567 VanDerWaalsContact C-N 3.3Å; F565-S567 PolarHBondContact O-N 3.14Å; S567-A569 VanDerWaalsContact C-N 3.34Å; S567-A569 PolarHBondContact O-N 2.81Å; S567-V570 PolarHBondContact O-N 3.43Å; S567-E571 WeakPolarHBondContact O-CB 3.46Å; S567-E571 PolarHBondContact O-N 2.76Å |
| 568 | T | 94.4 | Very high | 91.5 | Very high | 27 Ų | 27 | 30.6 Ų | 30.6 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 173.7 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | M491 K564 F565 A566 V570 E571 L572 | M491-T568 HydrophobicContact SD-CG2 4.31Å; K564-T568 PolarHBondContact O-N 3.35Å; K564-T568 PolarHBondContact O-OG1 3.19Å; F565-T568 WeakPolarHBondContact O-CB 3.42Å; F565-T568 PolarHBondContact O-N 3.37Å; A566-T568 PolarHBondContact O-N 2.89Å; T568-V570 PolarHBondContact O-N 3.34Å; T568-E571 PolarHBondContact O-N 3.4Å; T568-L572 HydrophobicContact CG2-CD1 4.42Å; T568-L572 WeakPolarHBondContact O-CG 3.44Å; T568-L572 PolarHBondContact O-N 3.16Å |
| 569 | A | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M491 L502 F550 F565 A566 S567 L572 M573 | M491-A569 HydrophobicContact CG-CB 3.8Å; M491-A569 VanDerWaalsContact SD-CA 3.6Å; M491-A569 HydrophobicContact SD-CB 3.8Å; L502-A569 HydrophobicContact CD1-CB 4.48Å; F550-A569 HydrophobicContact CE1-CB 4.49Å; F550-A569 HydrophobicContact CE2-CB 4.19Å; F550-A569 HydrophobicContact CZ-CB 3.73Å; F565-A569 PolarHBondContact O-N 2.98Å; A566-A569 WeakPolarHBondContact O-CB 3.4Å; A566-A569 PolarHBondContact O-N 3.39Å; A566-A569 VanDerWaalsContact O-N 3.17Å; S567-A569 VanDerWaalsContact C-N 3.34Å; S567-A569 PolarHBondContact O-N 2.81Å; A569-L572 PolarHBondContact O-N 3.47Å; A569-M573 VanDerWaalsContact O-CG 3.31Å; A569-M573 WeakPolarHBondContact O-CG 3.46Å; A569-M573 PolarHBondContact O-N 2.88Å |
| 570 | V | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 177.4 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | L524 F545 A546 L549 F550 A566 S567 T568 L572 M573 I574 | L524-V570 HydrophobicContact CD1-CG1 4.48Å; F545-V570 HydrophobicContact CB-CG1 4.48Å; A546-V570 HydrophobicContact CB-CG2 4.19Å; L549-V570 HydrophobicContact CD1-CG1 4.47Å; L549-V570 HydrophobicContact CD1-CG2 3.78Å; F550-V570 HydrophobicContact CD2-CG2 4.23Å; F550-V570 HydrophobicContact CE2-CG2 3.7Å; A566-V570 WeakPolarHBondContact O-CG2 3.25Å; A566-V570 PolarHBondContact O-N 3.34Å; S567-V570 PolarHBondContact O-N 3.43Å; T568-V570 PolarHBondContact O-N 3.34Å; V570-L572 PolarHBondContact O-N 3.28Å; V570-M573 HydrophobicContact CB-CE 4.3Å; V570-M573 HydrophobicContact CG2-CE 3.97Å; V570-M573 WeakPolarHBondContact O-CB 3.43Å; V570-M573 PolarHBondContact O-N 3.32Å; V570-I574 HydrophobicContact CG1-CD1 3.84Å; V570-I574 HydrophobicContact CG1-CG1 4.37Å; V570-I574 VanDerWaalsContact O-CG1 3.3Å; V570-I574 WeakPolarHBondContact O-CG1 3.36Å; V570-I574 PolarHBondContact O-N 2.7Å |
| 571 | E | 97 | Very high | 93.2 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.8 | -50.2 | 174.8 | 174.8 | 174.9 | -160.6 | 0 | 0 | 111.5 | P538 S567 T568 M573 I574 I575 | P538-E571 HydrophobicContact CB-CG 4.05Å; S567-E571 WeakPolarHBondContact O-CB 3.46Å; S567-E571 PolarHBondContact O-N 2.76Å; T568-E571 PolarHBondContact O-N 3.4Å; E571-M573 VanDerWaalsContact C-N 3.29Å; E571-M573 PolarHBondContact O-N 3.12Å; E571-I574 PolarHBondContact O-N 3.07Å; E571-I574 VanDerWaalsContact O-N 3.14Å; E571-I575 HydrophobicContact CG-CD1 3.65Å; E571-I575 HydrophobicContact CG-CG1 4.4Å; E571-I575 WeakPolarHBondContact O-CG1 3.5Å; E571-I575 PolarHBondContact O-N 2.86Å |
| 572 | L | 96.7 | Very high | 92.8 | Very high | 34 Ų | 34 | 31.9 Ų | 31.9 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -36.6 | 178 | -72.6 | 180 | 0 | 0 | 0 | 112.5 | M491 R498 L502 T568 A569 V570 N576 | M491-L572 HydrophobicContact CE-CD1 4.26Å; M491-L572 HydrophobicContact SD-CD1 3.88Å; R498-L572 HydrophobicContact CB-CD1 3.92Å; L502-L572 HydrophobicContact CD2-CB 3.85Å; T568-L572 HydrophobicContact CG2-CD1 4.42Å; T568-L572 WeakPolarHBondContact O-CG 3.44Å; T568-L572 PolarHBondContact O-N 3.16Å; A569-L572 PolarHBondContact O-N 3.47Å; V570-L572 PolarHBondContact O-N 3.28Å; L572-N576 WeakPolarHBondContact O-CB 3.45Å; L572-N576 PolarHBondContact O-N 2.98Å; L572-N576 PolarHBondContact O-ND2 3.14Å |
| 573 | M | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 174.4 | -73.3 | -172.1 | -69.7 | 0 | 0 | 112.2 | M479 L502 L506 L517 I521 F550 A569 V570 E571 Y577 L580 | M479-M573 HydrophobicContact CE-CE 4.39Å; M479-M573 HydrophobicContact CE-SD 4.38Å; L502-M573 HydrophobicContact CD1-CG 4.38Å; L502-M573 HydrophobicContact CD2-CG 3.94Å; L502-M573 HydrophobicContact CG-CG 4.47Å; L506-M573 HydrophobicContact CD1-CG 4.35Å; L506-M573 HydrophobicContact CD1-SD 4.27Å; L506-M573 HydrophobicContact CD2-SD 3.85Å; L517-M573 HydrophobicContact CD1-SD 4.43Å; L517-M573 HydrophobicContact CD2-SD 4.13Å; I521-M573 HydrophobicContact CD1-CB 4.03Å; I521-M573 HydrophobicContact CD1-CE 4.1Å; I521-M573 HydrophobicContact CD1-SD 4.34Å; I521-M573 HydrophobicContact CG1-CB 4.2Å; I521-M573 HydrophobicContact CG1-SD 4.37Å; I521-M573 HydrophobicContact CG2-CB 3.99Å; I521-M573 VanDerWaalsContact CG2-O 3.3Å; I521-M573 WeakPolarHBondContact CG2-O 3.3Å; F550-M573 HydrophobicContact CE2-CE 4.17Å; F550-M573 HydrophobicContact CZ-CE 4.25Å; A569-M573 VanDerWaalsContact O-CG 3.31Å; A569-M573 WeakPolarHBondContact O-CG 3.46Å; A569-M573 PolarHBondContact O-N 2.88Å; V570-M573 HydrophobicContact CB-CE 4.3Å; V570-M573 HydrophobicContact CG2-CE 3.97Å; V570-M573 WeakPolarHBondContact O-CB 3.43Å; V570-M573 PolarHBondContact O-N 3.32Å; E571-M573 VanDerWaalsContact C-N 3.29Å; E571-M573 PolarHBondContact O-N 3.12Å; M573-Y577 VanDerWaalsContact O-CA 3.27Å; M573-Y577 WeakPolarHBondContact O-CA 3.14Å; M573-Y577 PolarHBondContact O-N 3.22Å; M573-Y577 VanDerWaalsContact O-N 3.07Å; M573-L580 HydrophobicContact CB-CD1 4.49Å; M573-L580 HydrophobicContact CG-CD1 4.21Å |
| 574 | I | 98 | Very high | 90.3 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.1 | -46.8 | 179.2 | -67.8 | 168.4 | 0 | 0 | 0 | 110.7 | I521 L524 S525 A528 P538 L541 V570 E571 | I521-I574 HydrophobicContact CG2-CG1 4.42Å; L524-I574 HydrophobicContact CB-CD1 3.8Å; L524-I574 HydrophobicContact CB-CG1 3.86Å; L524-I574 HydrophobicContact CD1-CD1 4.1Å; S525-I574 PolarHBondContact OG-O 2.9Å; A528-I574 HydrophobicContact CB-CG2 3.84Å; P538-I574 HydrophobicContact CB-CB 4.1Å; P538-I574 HydrophobicContact CB-CG2 3.74Å; P538-I574 HydrophobicContact CG-CG2 3.84Å; L541-I574 HydrophobicContact CB-CD1 3.78Å; L541-I574 HydrophobicContact CD1-CD1 4.35Å; V570-I574 HydrophobicContact CG1-CD1 3.84Å; V570-I574 HydrophobicContact CG1-CG1 4.37Å; V570-I574 VanDerWaalsContact O-CG1 3.3Å; V570-I574 WeakPolarHBondContact O-CG1 3.36Å; V570-I574 PolarHBondContact O-N 2.7Å; E571-I574 PolarHBondContact O-N 3.07Å; E571-I574 VanDerWaalsContact O-N 3.14Å |
| 575 | I | 96.9 | Very high | 88.2 | Confident | 92 Ų | 92 | 39 Ų | 39 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.3 | -43.1 | -179.5 | -67.4 | 170.4 | 0 | 0 | 0 | 110.9 | P538 E571 | P538-I575 HydrophobicContact CB-CD1 4.26Å; P538-I575 HydrophobicContact CB-CG1 3.79Å; P538-I575 HydrophobicContact CG-CG1 3.9Å; E571-I575 HydrophobicContact CG-CD1 3.65Å; E571-I575 HydrophobicContact CG-CG1 4.4Å; E571-I575 WeakPolarHBondContact O-CG1 3.5Å; E571-I575 PolarHBondContact O-N 2.86Å |
| 576 | N | 95.9 | Very high | 85.9 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 24.2 | -173.3 | -58.9 | -83.4 | 0 | 0 | 0 | 113.1 | L499 L572 S578 T579 L580 | L499-N576 HydrophobicContact CD1-CB 3.79Å; L499-N576 HydrophobicContact CD2-CB 4.4Å; L572-N576 WeakPolarHBondContact O-CB 3.45Å; L572-N576 PolarHBondContact O-N 2.98Å; L572-N576 PolarHBondContact O-ND2 3.14Å; N576-S578 VanDerWaalsContact C-N 3.33Å; N576-S578 PolarHBondContact O-N 2.98Å; N576-T579 PolarHBondContact O-N 3.13Å; N576-L580 HydrophobicContact CB-CD1 4.06Å; N576-L580 HydrophobicContact CB-CG 4.23Å; N576-L580 PolarHBondContact O-N 3.11Å |
| 577 | Y | 96.3 | Very high | 83.5 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -50.8 | -49.4 | -172.8 | 171.1 | -103.3 | 0 | 0 | 0 | 113 | D518 I521 R522 M573 T579 L580 F581 I588 | D518-Y577 WeakPolarHBondContact OD1-CE2 3.49Å; D518-Y577 VanDerWaalsContact OD1-CZ 3.31Å; D518-Y577 PolarHBondContact OD1-OH 3.39Å; I521-Y577 HydrophobicContact CB-CD2 4.07Å; I521-Y577 HydrophobicContact CB-CE2 4.47Å; I521-Y577 HydrophobicContact CG2-CD2 3.61Å; I521-Y577 HydrophobicContact CG2-CE2 4.47Å; I521-Y577 HydrophobicContact CG2-CG 4.34Å; R522-Y577 HydrophobicContact CB-CE1 4.16Å; R522-Y577 HydrophobicContact CB-CE2 3.77Å; R522-Y577 WeakPolarHBondContact CB-OH 3.46Å; R522-Y577 HydrophobicContact CG-CE1 4.01Å; R522-Y577 HydrophobicContact CG-CE2 4.5Å; M573-Y577 VanDerWaalsContact O-CA 3.27Å; M573-Y577 WeakPolarHBondContact O-CA 3.14Å; M573-Y577 PolarHBondContact O-N 3.22Å; M573-Y577 VanDerWaalsContact O-N 3.07Å; Y577-T579 PolarHBondContact O-N 3.48Å; Y577-L580 PolarHBondContact O-N 3.28Å; Y577-F581 HydrophobicContact CD2-CB 4.08Å; Y577-F581 AromaticContact CD2-CD2 3.56Å; Y577-F581 HydrophobicContact CD2-CD2 3.56Å; Y577-F581 HydrophobicContact CD2-CE2 4.35Å; Y577-F581 HydrophobicContact CD2-CG 4.1Å; Y577-F581 HydrophobicContact CE2-CB 3.64Å; Y577-F581 AromaticContact CE2-CD2 3.81Å; Y577-F581 HydrophobicContact CE2-CD2 3.81Å; Y577-F581 AromaticContact CE2-CG 3.87Å; Y577-F581 HydrophobicContact CE2-CG 3.87Å; Y577-F581 PolarHBondContact O-N 3.3Å; Y577-I588 HydrophobicContact CD1-CD1 3.34Å; Y577-I588 HydrophobicContact CE1-CD1 3.32Å; Y577-I588 HydrophobicContact CE1-CG1 4.45Å |
| 578 | S | 92.2 | Very high | 81.1 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -30.5 | -178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | N576 S585 | N576-S578 VanDerWaalsContact C-N 3.33Å; N576-S578 PolarHBondContact O-N 2.98Å; S578-S585 PolarHBondContact O-OG 3.31Å |
| 579 | T | 91.8 | Very high | 78.4 | Confident | 98 Ų | 98 | 60.8 Ų | 60.8 | 60% | 0.601 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -83 | -37.4 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | N576 Y577 | N576-T579 PolarHBondContact O-N 3.13Å; Y577-T579 PolarHBondContact O-N 3.48Å |
| 580 | L | 92.3 | Very high | 75.3 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -80.5 | -28.4 | -178.8 | -66 | 172.5 | 0 | 0 | 0 | 112.7 | L499 L502 L506 M573 N576 Y577 | L499-L580 HydrophobicContact CD1-CD1 3.98Å; L499-L580 HydrophobicContact CD1-CD2 3.96Å; L499-L580 HydrophobicContact CD1-CG 4.17Å; L502-L580 HydrophobicContact CD2-CD1 4.16Å; L506-L580 HydrophobicContact CD1-CB 4.39Å; L506-L580 HydrophobicContact CD1-CD1 4.22Å; L506-L580 HydrophobicContact CD1-CD2 4.26Å; M573-L580 HydrophobicContact CB-CD1 4.49Å; M573-L580 HydrophobicContact CG-CD1 4.21Å; N576-L580 HydrophobicContact CB-CD1 4.06Å; N576-L580 HydrophobicContact CB-CG 4.23Å; N576-L580 PolarHBondContact O-N 3.11Å; Y577-L580 PolarHBondContact O-N 3.28Å |
| 581 | F | 90.1 | Very high | 72.2 | Confident | 23 Ų | 23 | 77.4 Ų | 77.4 | 10% | 0.101 | 41% | 0.409 | C | S | . | . | trans | -129.3 | 65.4 | -175.6 | -57.8 | -87 | 0 | 0 | 0 | 112.8 | L506 L517 D518 I521 Y577 I583 S585 | L506-F581 HydrophobicContact CD1-CE2 4.46Å; L506-F581 HydrophobicContact CD1-CZ 4.17Å; L517-F581 HydrophobicContact CD2-CZ 4.1Å; L517-F581 HydrophobicContact CG-CZ 4.17Å; D518-F581 HydrophobicContact CB-CD1 3.67Å; D518-F581 HydrophobicContact CB-CE1 4.04Å; D518-F581 HydrophobicContact CB-CG 4.39Å; D518-F581 WeakPolarHBondContact OD1-CB 3.4Å; I521-F581 HydrophobicContact CB-CE2 4.36Å; I521-F581 HydrophobicContact CG1-CE2 4.43Å; I521-F581 HydrophobicContact CG2-CE2 4.29Å; Y577-F581 HydrophobicContact CD2-CB 4.08Å; Y577-F581 AromaticContact CD2-CD2 3.56Å; Y577-F581 HydrophobicContact CD2-CD2 3.56Å; Y577-F581 HydrophobicContact CD2-CE2 4.35Å; Y577-F581 HydrophobicContact CD2-CG 4.1Å; Y577-F581 HydrophobicContact CE2-CB 3.64Å; Y577-F581 AromaticContact CE2-CD2 3.81Å; Y577-F581 HydrophobicContact CE2-CD2 3.81Å; Y577-F581 AromaticContact CE2-CG 3.87Å; Y577-F581 HydrophobicContact CE2-CG 3.87Å; Y577-F581 PolarHBondContact O-N 3.3Å; F581-I583 PolarHBondContact O-N 3.36Å; F581-S585 PolarHBondContact O-OG 3.29Å | ||
| 582 | P | 73.7 | Confident | 69 | Low | 91 Ų | 91 | 82.1 Ų | 82.1 | 59% | 0.591 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -26.4 | -169.2 | 23.5 | -33 | 0 | 0 | 0 | 115.4 | H584 S585 | P582-H584 PolarHBondContact O-N 3.48Å; P582-S585 WeakPolarHBondContact CA-OG 3.5Å |
| 583 | I | 63.7 | Low | 65.9 | Low | 142 Ų | 142 | 85.9 Ų | 85.9 | 73% | 0.728 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -21.2 | -174 | -59.2 | 173.9 | 0 | 0 | 0 | 111.9 | F581 | F581-I583 PolarHBondContact O-N 3.36Š|
| 584 | H | 52.8 | Low | 62.6 | Low | 90 Ų | 90 | 93.7 Ų | 93.7 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -0.4 | -171.8 | -59.2 | -63.5 | 0 | 0 | 0 | 114.2 | D518 P582 S586 | D518-H584 WeakPolarHBondContact OD2-CB 3.4Å; D518-H584 IonicContact OD2-CD2 2.75Å; D518-H584 PolarHBondContact OD2-CD2 3.18Å; D518-H584 IonicContact OD2-CG 3.43Å; D518-H584 IonicContact OD2-NE2 3.7Å; P582-H584 PolarHBondContact O-N 3.48Å; H584-S586 VanDerWaalsContact C-N 3.28Å; H584-S586 PolarHBondContact O-N 2.74Å |
| 585 | S | 47.5 | Very low | 59.3 | Low | 25 Ų | 25 | 101.2 Ų | 101.2 | 18% | 0.175 | 54% | 0.536 | C | S | . | . | G | 310 helix | trans | -73.4 | -15 | -175.5 | -26.5 | 0 | 0 | 0 | 0 | 114.2 | S578 F581 P582 N587 I588 | S578-S585 PolarHBondContact O-OG 3.31Å; F581-S585 PolarHBondContact O-OG 3.29Å; P582-S585 WeakPolarHBondContact CA-OG 3.5Å; S585-N587 PolarHBondContact O-N 2.99Å; S585-I588 PolarHBondContact O-N 2.83Å |
| 586 | S | 42.7 | Very low | 56.1 | Low | 108 Ų | 108 | 104.2 Ų | 104.2 | 76% | 0.755 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -64.4 | -5.7 | -174.1 | 61.1 | 0 | 0 | 0 | 0 | 115 | H584 | H584-S586 VanDerWaalsContact C-N 3.28Å; H584-S586 PolarHBondContact O-N 2.74Å |
| 587 | N | 44.4 | Very low | 52.8 | Low | 139 Ų | 139 | 109.5 Ų | 109.5 | 74% | 0.743 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -106.1 | 6.1 | 180 | -71.4 | -33.6 | 0 | 0 | 0 | 115.1 | S585 F589 | S585-N587 PolarHBondContact O-N 2.99Å; N587-F589 PolarHBondContact O-N 3.5Å |
| 588 | I | 45.3 | Very low | 49.7 | Very low | 69 Ų | 69 | 114.6 Ų | 114.6 | 35% | 0.354 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -79.1 | -13.6 | -173.5 | -71.4 | -178.3 | 0 | 0 | 0 | 114.8 | Y577 S585 | Y577-I588 HydrophobicContact CD1-CD1 3.34Å; Y577-I588 HydrophobicContact CE1-CD1 3.32Å; Y577-I588 HydrophobicContact CE1-CG1 4.45Å; S585-I588 PolarHBondContact O-N 2.83Å |
| 589 | F | 36.8 | Very low | 46.6 | Very low | 183 Ų | 183 | 119.5 Ų | 119.5 | 80% | 0.803 | 63% | 0.633 | S | S | * | * | trans | -123 | 93 | -179.4 | -67.2 | -82.7 | 0 | 0 | 0 | 112 | N587 | N587-F589 PolarHBondContact O-N 3.5Š| ||
| 590 | R | 31 | Very low | 43.6 | Very low | 240 Ų | 240 | 119 Ų | 119 | 91% | 0.906 | 63% | 0.634 | S | S | * | * | trans | -96.1 | 106.1 | 143.5 | -79.9 | -167.7 | -175.7 | -151.4 | 1.3 | 106.9 | I592 | R590-I592 PolarHBondContact O-N 2.96Š| ||
| 591 | P | 32.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | trans | -56.4 | 135.2 | 171.8 | -18.4 | 30 | 0 | 0 | 0 | 109.1 | P593 | P591-P593 VanDerWaalsContact O-CD 3.29Å; P591-P593 WeakPolarHBondContact O-CD 3.46Å; P591-P593 VanDerWaalsContact O-N 3.11Å | ||
| 592 | I | 29.1 | Very low | 37.5 | Very low | 146 Ų | 146 | 130 Ų | 130 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | trans | -41.7 | 113.6 | 173.4 | -59 | 158 | 0 | 0 | 0 | 108.8 | R590 Q594 | R590-I592 PolarHBondContact O-N 2.96Å; I592-Q594 VanDerWaalsContact C-N 3.35Å; I592-Q594 PolarHBondContact O-N 3.15Å | ||
| 593 | P | 32.1 | Very low | 35.5 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -66 | 107.9 | 157 | -6.1 | 22.8 | 0 | 0 | 0 | 104.2 | P591 L595 | P591-P593 VanDerWaalsContact O-CD 3.29Å; P591-P593 WeakPolarHBondContact O-CD 3.46Å; P591-P593 VanDerWaalsContact O-N 3.11Å; P593-L595 PolarHBondContact O-N 2.78Å | ||
| 594 | Q | 28.8 | Very low | 33.9 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 77% | 0.771 | 70% | 0.702 | S | S | * | * | trans | -46.3 | 110.3 | 168.3 | -74 | 179.2 | -26.4 | 0 | 0 | 106.7 | I592 L596 | I592-Q594 VanDerWaalsContact C-N 3.35Å; I592-Q594 PolarHBondContact O-N 3.15Å; Q594-L596 PolarHBondContact O-N 2.92Å | ||
| 595 | L | 29.2 | Very low | 32.8 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | trans | -63.4 | 87.4 | 170.4 | -93.1 | 151.1 | 0 | 0 | 0 | 105.9 | P593 L597 | P593-L595 PolarHBondContact O-N 2.78Å; L595-L597 PolarHBondContact O-N 3.26Å | ||
| 596 | L | 28.7 | Very low | 31.8 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | -57.1 | 98.3 | 157.4 | -75.4 | 138.2 | 0 | 0 | 0 | 105 | Q594 | Q594-L596 PolarHBondContact O-N 2.92Š| ||
| 597 | L | 28.2 | Very low | 31.1 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -48.5 | 123.8 | 173.4 | -70 | 165.5 | 0 | 0 | 0 | 107.7 | L595 L599 | L595-L597 PolarHBondContact O-N 3.26Å; L597-L599 PolarHBondContact O-N 2.99Å | ||
| 598 | P | 30.5 | Very low | 30.3 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | trans | -66.2 | 113.7 | 175.7 | -5.3 | 18.7 | 0 | 0 | 0 | 107.4 | S600 | P598-S600 PolarHBondContact O-N 3.29Š| ||
| 599 | L | 27.1 | Very low | 29.6 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -66.6 | 70.7 | 163.4 | -75 | 158.5 | 0 | 0 | 0 | 108.2 | L597 T601 | L597-L599 PolarHBondContact O-N 2.99Å; L599-T601 PolarHBondContact O-N 2.89Å | ||
| 600 | S | 28.1 | Very low | 29.2 | Very low | 89 Ų | 89 | 148.2 Ų | 148.2 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -83.5 | 91.2 | 167.3 | 59.2 | 0 | 0 | 0 | 0 | 107.9 | P598 I602 | P598-S600 PolarHBondContact O-N 3.29Å; S600-I602 PolarHBondContact O-N 2.7Å | ||
| 601 | T | 26.6 | Very low | 29.1 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | trans | -56 | 97.7 | 163 | -35.9 | 0 | 0 | 0 | 0 | 108.2 | L599 | L599-T601 PolarHBondContact O-N 2.89Š| ||
| 602 | I | 27.8 | Very low | 28.9 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | trans | -99.2 | 121.9 | 165.4 | -60 | 179.4 | 0 | 0 | 0 | 106.3 | S600 | S600-I602 PolarHBondContact O-N 2.7Š| ||
| 603 | P | 32.5 | Very low | 28.6 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | trans | -71.4 | 135.9 | -174.5 | 17.8 | -12.5 | 0 | 0 | 0 | 110.5 | V605 | P603-V605 PolarHBondContact O-N 2.9Š| ||
| 604 | V | 29.4 | Very low | 28.5 | Very low | 123 Ų | 123 | 143 Ų | 143 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | -57.1 | 98.8 | 171.3 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | M606 | V604-M606 HydrophobicContact CG1-CE 4.2Å; V604-M606 HydrophobicContact CG1-CG 4.37Å; V604-M606 HydrophobicContact CG1-SD 4.32Å | ||
| 605 | V | 29.6 | Very low | 28.5 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -92.2 | 107.4 | 158.9 | 177.6 | 0 | 0 | 0 | 0 | 105.8 | P603 D607 | P603-V605 PolarHBondContact O-N 2.9Å; V605-D607 PolarHBondContact O-N 2.92Å | ||
| 606 | M | 25.8 | Very low | 28.3 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -59.8 | 119.7 | 167.1 | -65.4 | -74.5 | -172.3 | 0 | 0 | 108.3 | V604 | V604-M606 HydrophobicContact CG1-CE 4.2Å; V604-M606 HydrophobicContact CG1-CG 4.37Å; V604-M606 HydrophobicContact CG1-SD 4.32Å | ||
| 607 | D | 28.3 | Very low | 28.1 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -140 | 118.3 | 153.3 | -160.5 | 14.2 | 0 | 0 | 0 | 109.4 | V605 | V605-D607 PolarHBondContact O-N 2.92Š| ||
| 608 | D | 28 | Very low | 28.1 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -66.9 | 128 | 174.6 | -82.3 | -45.6 | 0 | 0 | 0 | 109.6 | ||||
| 609 | R | 31.4 | Very low | 27.8 | Very low | 236 Ų | 236 | 143 Ų | 143 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | 174.6 | 112.1 | 135.7 | -94.5 | 152.6 | -171.5 | -165.1 | 4.2 | 112.9 | ||||
| 610 | N | 27.1 | Very low | 28 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | 23.4 | 106.3 | 140.2 | -65.4 | -9.8 | 0 | 0 | 0 | 118.4 | ||||
| 611 | G | 30.6 | Very low | 27.7 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -153.3 | 102.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 612 | T | 27.6 | Very low | 27.7 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -51.5 | 123.5 | -175.7 | -8.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 613 | M | 23 | Very low | 27.7 | Very low | 171 Ų | 171 | 148 Ų | 148 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -78.4 | 124.9 | 166.5 | -102.6 | -162.8 | 73.9 | 0 | 0 | 110.9 | ||||
| 614 | S | 29.5 | Very low | 27.3 | Very low | 101 Ų | 101 | 150 Ų | 150 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -96.4 | 110.5 | 166.3 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 615 | E | 28.4 | Very low | 27.1 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 126.8 | 169.3 | -73.8 | 173.9 | 147.2 | 0 | 0 | 110.4 | ||||
| 616 | I | 27 | Very low | 27 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -109 | 100.2 | 170.5 | -62.2 | 172.9 | 0 | 0 | 0 | 106.7 | ||||
| 617 | T | 24.4 | Very low | 27.1 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 68% | 0.681 | 81% | 0.808 | S | S | * | * | trans | -129.7 | 124.9 | 165.8 | 47.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 618 | N | 26.7 | Very low | 27 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | 139.1 | 93.3 | 142.4 | -69.4 | -19.4 | 0 | 0 | 0 | 112.8 | T620 | N618-T620 PolarHBondContact O-N 2.9Š| ||
| 619 | T | 25.9 | Very low | 27.1 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | trans | -78.8 | 107.3 | 166.1 | -55.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 620 | T | 29.3 | Very low | 26.9 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | trans | -75.4 | 128.5 | -179.8 | -31.5 | 0 | 0 | 0 | 0 | 111.2 | N618 | N618-T620 PolarHBondContact O-N 2.9Š| ||
| 621 | R | 23.5 | Very low | 26.8 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | -65.3 | 126.4 | 174.3 | -72 | -179.9 | -165.2 | 148.7 | 7.3 | 111.1 | S623 Q669 | R621-S623 PolarHBondContact O-N 2.99Å; R621-Q669 VanDerWaalsContact NH2-OE1 3.09Å | ||
| 622 | Y | 26.8 | Very low | 26.7 | Very low | 222 Ų | 222 | 149.7 Ų | 149.7 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | trans | -76.4 | 108.7 | 169.2 | -74 | -87.8 | 0 | 0 | 0 | 110.3 | ||||
| 623 | S | 26.7 | Very low | 26.6 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -92.2 | 113.5 | 164.5 | -58.3 | 0 | 0 | 0 | 0 | 108 | R621 S625 | R621-S623 PolarHBondContact O-N 2.99Å; S623-S625 PolarHBondContact O-N 2.93Å | ||
| 624 | V | 23.9 | Very low | 26.8 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -85 | 101.1 | 178.9 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 625 | S | 25.2 | Very low | 26.8 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -123.9 | 116.6 | 169.1 | 53 | 0 | 0 | 0 | 0 | 110.5 | S623 | S623-S625 PolarHBondContact O-N 2.93Š| ||
| 626 | S | 27.6 | Very low | 26.6 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 48.5 | 93.8 | 152.7 | 59 | 0 | 0 | 0 | 0 | 118.3 | F628 | S626-F628 PolarHBondContact O-N 2.8Š| ||
| 627 | I | 28 | Very low | 26.7 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -83.2 | 89.9 | 155.8 | -60.2 | 171.3 | 0 | 0 | 0 | 107.4 | ||||
| 628 | F | 26.4 | Very low | 26.8 | Very low | 194 Ų | 194 | 146 Ų | 146 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -139.2 | 105.6 | 151 | -105 | -84.9 | 0 | 0 | 0 | 103.2 | S626 | S626-F628 PolarHBondContact O-N 2.8Š| ||
| 629 | D | 29.8 | Very low | 27.4 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -162.7 | 140.8 | 146 | -98.5 | -30.6 | 0 | 0 | 0 | 113.1 | ||||
| 630 | N | 28.7 | Very low | 27.4 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -66.8 | 149.4 | -171.3 | -101.3 | -36.4 | 0 | 0 | 0 | 113.4 | N632 | N630-N632 PolarHBondContact O-N 2.8Š| ||
| 631 | N | 23.3 | Very low | 27 | Very low | 150 Ų | 150 | 145.3 Ų | 145.3 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -40 | 124.9 | 154.4 | -86.3 | -29.3 | 0 | 0 | 0 | 113 | ||||
| 632 | N | 28.8 | Very low | 27.1 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | -168.5 | 106.7 | 127.3 | -106.1 | -21.7 | 0 | 0 | 0 | 112.8 | N630 | N630-N632 PolarHBondContact O-N 2.8Š| |||
| 633 | N | 26.8 | Very low | 26.8 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 34.2 | 125.3 | 131.9 | -75.4 | -14.5 | 0 | 0 | 0 | 121.9 | ||||
| 634 | N | 27.1 | Very low | 26.6 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | 95.8 | 113.9 | 126.7 | -74.6 | -5.6 | 0 | 0 | 0 | 121 | |||||
| 635 | N | 27.8 | Very low | 26.6 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | 93 | 107.2 | 127.8 | -65.5 | -10.5 | 0 | 0 | 0 | 120 | |||||
| 636 | N | 24.3 | Very low | 26.5 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 58.2 | 107 | 127.1 | -64.2 | -10.4 | 0 | 0 | 0 | 119.2 | |||||
| 637 | S | 29.7 | Very low | 26.5 | Very low | 126 Ų | 126 | 151 Ų | 151 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | -166.1 | 123.5 | 124.8 | 23 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 638 | T | 25.7 | Very low | 26.2 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -72.8 | 160.6 | 176.4 | 30.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 639 | P | 40 | Very low | 26.3 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -99.2 | 154.4 | -159 | 37.9 | -32.3 | 0 | 0 | 0 | 113.9 | ||||
| 640 | T | 26.4 | Very low | 26 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -127 | 116.4 | 174.9 | -37.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 641 | N | 21.6 | Very low | 25.8 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | 16.6 | 130.2 | 146.2 | -66.7 | -43.5 | 0 | 0 | 0 | 119.2 | ||||
| 642 | M | 24.3 | Very low | 26 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | -170.4 | 151.3 | 103.9 | -97 | -137 | 101.6 | 0 | 0 | 112.6 | |||||
| 643 | S | 21 | Very low | 25.8 | Very low | 77 Ų | 77 | 147.8 Ų | 147.8 | 54% | 0.538 | 79% | 0.79 | S | S | . | * | trans | -108.5 | 159.1 | -163.9 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 644 | K | 22.4 | Very low | 25.7 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | 76.2 | 125.6 | 153.6 | -67.8 | 168.2 | 178.1 | 177.3 | 0 | 117 | ||||
| 645 | Y | 23.5 | Very low | 25.5 | Very low | 227 Ų | 227 | 148.8 Ų | 148.8 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | -164.9 | 114.1 | 110 | -97.2 | -75.6 | 0 | 0 | 0 | 109.8 | |||||
| 646 | N | 23.6 | Very low | 25.3 | Very low | 154 Ų | 154 | 151 Ų | 151 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -101.5 | 137.4 | 166.9 | -86.7 | -20.2 | 0 | 0 | 0 | 108.1 | ||||
| 647 | H | 26.7 | Very low | 25.4 | Very low | 169 Ų | 169 | 149 Ų | 149 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -151 | 97.7 | 160.6 | -116.3 | -61.8 | 0 | 0 | 0 | 109.4 | ||||
| 648 | I | 23.3 | Very low | 25.2 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -109.7 | 127 | 167.1 | -68.1 | 171.2 | 0 | 0 | 0 | 106.6 | ||||
| 649 | K | 27 | Very low | 25.1 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -108.7 | 124.2 | 172.3 | -83.4 | -175.4 | 174.6 | -179.8 | 0 | 108.9 | ||||
| 650 | N | 23.7 | Very low | 24.4 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -67.6 | 136.7 | 174.7 | -71 | -21.1 | 0 | 0 | 0 | 111.7 | ||||
| 651 | G | 25.5 | Very low | 24.3 | Very low | 75 Ų | 75 | 150.5 Ų | 150.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -134.1 | 137.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 652 | Q | 26.7 | Very low | 24.4 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -78.7 | 136.8 | -154.9 | -72.4 | 157.7 | -41.8 | 0 | 0 | 116 | ||||
| 653 | N | 24.5 | Very low | 24.5 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -9.1 | 112.1 | 149.8 | -61.8 | -13 | 0 | 0 | 0 | 117.5 | ||||
| 654 | S | 24.7 | Very low | 24.7 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -125.3 | 111 | 146.3 | 31 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 655 | I | 23.9 | Very low | 24.7 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -93.5 | 105.5 | -174 | -62.1 | 168.3 | 0 | 0 | 0 | 106.7 | ||||
| 656 | E | 23.3 | Very low | 24.7 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -118.7 | 143.2 | 159.9 | -92 | -172.8 | 163.7 | 0 | 0 | 109 | V658 | E656-V658 PolarHBondContact O-N 2.67Š| ||
| 657 | P | 26.4 | Very low | 24.8 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | trans | -77.6 | 110.6 | -158.8 | 31.1 | -32.5 | 0 | 0 | 0 | 110.7 | Y659 | P657-Y659 PolarHBondContact O-N 2.78Š| ||
| 658 | V | 25.3 | Very low | 24.8 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -80.5 | 109.4 | 171.4 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | E656 T660 | E656-V658 PolarHBondContact O-N 2.67Å; V658-T660 HydrophobicContact CG1-CG2 4.26Å; V658-T660 PolarHBondContact O-N 2.91Å | ||
| 659 | Y | 24 | Very low | 24.9 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | -62.2 | 100.6 | 164.6 | -69.9 | -89.7 | 0 | 0 | 0 | 108.7 | P657 T661 | P657-Y659 PolarHBondContact O-N 2.78Å; Y659-T661 PolarHBondContact O-N 2.82Å; Y659-T661 VanDerWaalsContact O-N 3.15Å | ||
| 660 | T | 24.6 | Very low | 24.7 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -81.9 | 86.3 | 174.6 | 42.9 | 0 | 0 | 0 | 0 | 109.8 | V658 | V658-T660 HydrophobicContact CG1-CG2 4.26Å; V658-T660 PolarHBondContact O-N 2.91Å | ||
| 661 | T | 24.4 | Very low | 25 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 49% | 0.491 | 76% | 0.762 | S | S | . | * | trans | -66 | 130.2 | 159.1 | 1.6 | 0 | 0 | 0 | 0 | 108.8 | Y659 L663 | Y659-T661 PolarHBondContact O-N 2.82Å; Y659-T661 VanDerWaalsContact O-N 3.15Å; T661-L663 PolarHBondContact O-N 3.19Å | ||
| 662 | P | 24.5 | Very low | 25.1 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | trans | -72.4 | 118 | -172.2 | 13.2 | -4.8 | 0 | 0 | 0 | 110.4 | I664 | P662-I664 PolarHBondContact O-N 2.95Š| ||
| 663 | L | 25.1 | Very low | 25.1 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | trans | -65.5 | 101.3 | 168.8 | -75 | 163.3 | 0 | 0 | 0 | 108.9 | T661 S665 | T661-L663 PolarHBondContact O-N 3.19Å; L663-S665 VanDerWaalsContact C-N 3.31Å; L663-S665 PolarHBondContact O-N 3.36Å | ||
| 664 | I | 25.2 | Very low | 25.2 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | -65.9 | 96.9 | 162.2 | -61.6 | 174.2 | 0 | 0 | 0 | 106.3 | P662 Y666 | P662-I664 PolarHBondContact O-N 2.95Å; I664-Y666 HydrophobicContact CB-CE2 4.48Å; I664-Y666 HydrophobicContact CG2-CD2 3.92Å; I664-Y666 HydrophobicContact CG2-CE2 3.52Å; I664-Y666 PolarHBondContact O-N 3.11Å | ||
| 665 | S | 22.2 | Very low | 25.4 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -69.3 | 95.4 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | L663 | L663-S665 VanDerWaalsContact C-N 3.31Å; L663-S665 PolarHBondContact O-N 3.36Å | ||
| 666 | Y | 24.3 | Very low | 25.7 | Very low | 196 Ų | 196 | 144 Ų | 144 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -80.2 | 124.7 | 161.5 | -77.3 | -79.9 | 0 | 0 | 0 | 108.7 | I664 F668 | I664-Y666 HydrophobicContact CB-CE2 4.48Å; I664-Y666 HydrophobicContact CG2-CD2 3.92Å; I664-Y666 HydrophobicContact CG2-CE2 3.52Å; I664-Y666 PolarHBondContact O-N 3.11Å; Y666-F668 VanDerWaalsContact C-N 3.34Å; Y666-F668 PolarHBondContact O-N 3.25Å | ||
| 667 | P | 25.7 | Very low | 25.9 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -78.3 | 84.6 | -175.5 | 32.3 | -32.9 | 0 | 0 | 0 | 109.8 | ||||
| 668 | F | 25.9 | Very low | 25.8 | Very low | 189 Ų | 189 | 148 Ų | 148 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -119 | 90.5 | 160.3 | -117.7 | -90.1 | 0 | 0 | 0 | 108.7 | Y666 L670 | Y666-F668 VanDerWaalsContact C-N 3.34Å; Y666-F668 PolarHBondContact O-N 3.25Å; F668-L670 PolarHBondContact O-N 3.25Å | ||
| 669 | Q | 25.3 | Very low | 26 | Very low | 140 Ų | 140 | 150.5 Ų | 150.5 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | trans | -70.2 | 97 | 167.1 | -74.4 | 179 | -48.6 | 0 | 0 | 107.6 | R621 T671 | R621-Q669 VanDerWaalsContact NH2-OE1 3.09Å; Q669-T671 PolarHBondContact O-N 3.28Å | ||
| 670 | L | 24 | Very low | 26.3 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | -56.5 | 109.7 | 160.5 | -91.7 | 97.3 | 0 | 0 | 0 | 107.6 | F668 N672 | F668-L670 PolarHBondContact O-N 3.25Å; L670-N672 PolarHBondContact O-N 3.26Å; L670-N672 VanDerWaalsContact O-N 3.09Å | ||
| 671 | T | 28.4 | Very low | 26.3 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 104.7 | 166.2 | 53.1 | 0 | 0 | 0 | 0 | 107.5 | Q669 S673 | Q669-T671 PolarHBondContact O-N 3.28Å; T671-S673 VanDerWaalsContact C-N 3.29Å; T671-S673 PolarHBondContact O-N 2.93Å | ||
| 672 | N | 27.9 | Very low | 26.2 | Very low | 165 Ų | 165 | 156.3 Ų | 156.3 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -58.5 | 90.9 | 166.5 | -78.1 | -24.9 | 0 | 0 | 0 | 109.2 | L670 | L670-N672 PolarHBondContact O-N 3.26Å; L670-N672 VanDerWaalsContact O-N 3.09Å | ||
| 673 | S | 26.5 | Very low | 26.2 | Very low | 99 Ų | 99 | 157.7 Ų | 157.7 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | trans | -153 | 41.5 | 175.3 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | T671 | T671-S673 VanDerWaalsContact C-N 3.29Å; T671-S673 PolarHBondContact O-N 2.93Å | ||
| 674 | I | 28.2 | Very low | 26.3 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | -144.2 | 66.5 | 162 | -48.5 | 177.9 | 0 | 0 | 0 | 108.4 | ||||
| 675 | M | 28.6 | Very low | 26.3 | Very low | 191 Ų | 191 | 154.2 Ų | 154.2 | 94% | 0.941 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -138.6 | 56.7 | 162 | -155.6 | 169.6 | -132.6 | 0 | 0 | 107.9 | ||
| 676 | D | 30 | Very low | 26.4 | Very low | 156 Ų | 156 | 154.2 Ų | 154.2 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -168.7 | 74.4 | 160.6 | -119.3 | -11.4 | 0 | 0 | 0 | 110 | ||
| 677 | R | 27.1 | Very low | 26.5 | Very low | 252 Ų | 252 | 152.5 Ų | 152.5 | 95% | 0.951 | 82% | 0.817 | S | S | * | * | trans | -165.1 | 49.9 | 159.4 | -113.5 | -178.6 | -163.3 | -141 | 4.7 | 110.8 | ||||
| 678 | S | 25 | Very low | 26.5 | Very low | 107 Ų | 107 | 155.5 Ų | 155.5 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -101.8 | 88.1 | 160.3 | 55.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 679 | E | 28.6 | Very low | 26.5 | Very low | 176 Ų | 176 | 154.2 Ų | 154.2 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -176.5 | 131.2 | 149.3 | -103.9 | 168.8 | -155.4 | 0 | 0 | 108.1 | ||
| 680 | N | 29.8 | Very low | 26.3 | Very low | 149 Ų | 149 | 157 Ų | 157 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | trans | 81.9 | 75.4 | 170.3 | -48.5 | -30.3 | 0 | 0 | 0 | 117 | ||||
| 681 | M | 25.3 | Very low | 26.5 | Very low | 186 Ų | 186 | 156 Ų | 156 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | trans | -157.5 | 60.3 | 141.6 | -110.5 | 177.2 | 80.9 | 0 | 0 | 111.3 | ||||
| 682 | F | 23 | Very low | 26.1 | Very low | 204 Ų | 204 | 154.5 Ų | 154.5 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -138 | 87.5 | 161.1 | -90.6 | -78.2 | 0 | 0 | 0 | 108 | ||||
| 683 | T | 25 | Very low | 25.9 | Very low | 139 Ų | 139 | 155.1 Ų | 155.1 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -174.4 | 102.3 | 149.1 | 42.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 684 | S | 26 | Very low | 26 | Very low | 121 Ų | 121 | 156.1 Ų | 156.1 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -162.1 | 90 | 143.7 | 0.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 685 | S | 26.1 | Very low | 25.8 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -46 | 133.2 | 160.7 | 44.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 686 | S | 22.9 | Very low | 25.4 | Very low | 109 Ų | 109 | 152.4 Ų | 152.4 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | 8.4 | 119 | 140.2 | -40.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 687 | N | 27.6 | Very low | 25.3 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | trans | -152.8 | 105.8 | 137.2 | -106.2 | -8.6 | 0 | 0 | 0 | 109.3 | ||||
| 688 | E | 24.8 | Very low | 25.1 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -55.5 | 136 | 157.9 | -61.6 | -175 | 151.1 | 0 | 0 | 109 | ||||
| 689 | N | 26.8 | Very low | 25 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -148.3 | 104.4 | 151.9 | -96.6 | -27.5 | 0 | 0 | 0 | 109 | ||||
| 690 | Y | 20.7 | Very low | 24.7 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -50 | 135.6 | 157.4 | -87.4 | -100.9 | 0 | 0 | 0 | 110.5 | ||||
| 691 | S | 27.7 | Very low | 24.3 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | -157.6 | 116.3 | 144.2 | -83.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 692 | S | 21.7 | Very low | 24.3 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -82.9 | 163.5 | 178.1 | -48.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 693 | Q | 23.4 | Very low | 24.4 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 78.7 | 123.6 | 161.5 | -50 | 177.3 | -8.8 | 0 | 0 | 115 | ||||
| 694 | T | 28.1 | Very low | 24.4 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | -173.2 | 127.5 | 67.8 | 23.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 695 | S | 23.8 | Very low | 24.4 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 29.7 | 114.6 | 133.5 | 49.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 696 | L | 20.8 | Very low | 24.3 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -19.4 | 127 | 137.2 | -69.5 | 151.3 | 0 | 0 | 0 | 116.5 | ||||
| 697 | Q | 27.5 | Very low | 24.4 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -165 | 100.1 | 148.5 | -98.7 | 172.1 | 16.8 | 0 | 0 | 106 | ||||
| 698 | S | 21.8 | Very low | 24.2 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | 56.3 | 122.4 | 78.3 | 82.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 699 | I | 23.2 | Very low | 24.4 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | 112.7 | 112.5 | 138.9 | -68.5 | 167 | 0 | 0 | 0 | 118.6 | ||||
| 700 | K | 22 | Very low | 24.1 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | trans | 86.6 | 108.2 | 133 | -84.6 | 174.1 | -158.8 | 174.4 | 0 | 122.4 | ||||
| 701 | S | 22.8 | Very low | 24.5 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | 56.7 | 125.3 | 111.1 | 65.8 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 702 | S | 25.2 | Very low | 24.4 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | 157.6 | 103.8 | 135.1 | 51.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 703 | S | 24 | Very low | 24.7 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | 89.8 | 134.9 | 82.5 | 71.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 704 | T | 26.5 | Very low | 24.9 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | trans | 99.2 | 103.2 | 142 | -20.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 705 | F | 24.8 | Very low | 24.8 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | 85.5 | 124 | 124.9 | -96.2 | -116.7 | 0 | 0 | 0 | 123.4 | |||||
| 706 | T | 24.2 | Very low | 24.8 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 60.4 | 137.5 | 137.1 | 54.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 707 | S | 25.3 | Very low | 25.1 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | -177.1 | 147.8 | 13.9 | 33.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 708 | S | 22.6 | Very low | 24.9 | Very low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | 56.7 | 113.7 | 140 | 66.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 709 | I | 28.8 | Very low | 25.1 | Very low | 150 Ų | 150 | 125.1 Ų | 125.1 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | 168.3 | 119.9 | 105.9 | -81.5 | 157.2 | 0 | 0 | 0 | 109.3 | |||||
| 710 | T | 22 | Very low | 25.1 | Very low | 132 Ų | 132 | 124 Ų | 124 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -14.1 | 117.9 | 150.9 | 11.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 711 | T | 28.8 | Very low | 25.1 | Very low | 140 Ų | 140 | 126 Ų | 126 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -139.2 | 140.7 | 140.8 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 712 | T | 25.8 | Very low | 25.2 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -64.4 | 149.9 | -166.3 | 32.3 | 0 | 0 | 0 | 0 | 114.1 | T714 | T712-T714 PolarHBondContact O-N 3.26Š| ||
| 713 | P | 27.1 | Very low | 25.3 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | -78.9 | 111.5 | -167.9 | 31.8 | -32.3 | 0 | 0 | 0 | 110.6 | T715 | P713-T715 PolarHBondContact O-N 3.18Š| ||
| 714 | T | 27.5 | Very low | 25.3 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -76 | 98.7 | 157.6 | 15.1 | 0 | 0 | 0 | 0 | 106.9 | T712 T716 | T712-T714 PolarHBondContact O-N 3.26Å; T714-T716 VanDerWaalsContact C-N 3.26Å; T714-T716 PolarHBondContact O-N 3.4Å; T714-T716 PolarHBondContact O-OG1 2.9Å | ||
| 715 | T | 25.7 | Very low | 25.2 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -58.7 | 91.3 | 170.8 | -56.6 | 0 | 0 | 0 | 0 | 108.7 | P713 T717 | P713-T715 PolarHBondContact O-N 3.18Å; T715-T717 PolarHBondContact O-N 3.01Å | ||
| 716 | T | 25.6 | Very low | 25.2 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | -87.6 | 94.6 | 166.4 | -42.2 | 0 | 0 | 0 | 0 | 105 | T714 I718 | T714-T716 VanDerWaalsContact C-N 3.26Å; T714-T716 PolarHBondContact O-N 3.4Å; T714-T716 PolarHBondContact O-OG1 2.9Å; T716-I718 VanDerWaalsContact C-N 3.35Å; T716-I718 PolarHBondContact O-N 2.97Å | ||
| 717 | T | 25.2 | Very low | 25.2 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | -61.7 | 98.6 | 175.9 | -44.7 | 0 | 0 | 0 | 0 | 107.8 | T715 T719 | T715-T717 PolarHBondContact O-N 3.01Å; T717-T719 PolarHBondContact O-N 3.4Å | ||
| 718 | I | 24.6 | Very low | 25.3 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -67.8 | 93.8 | 165.9 | -62.7 | 173.9 | 0 | 0 | 0 | 105.2 | T716 T720 | T716-I718 VanDerWaalsContact C-N 3.35Å; T716-I718 PolarHBondContact O-N 2.97Å; I718-T720 HydrophobicContact CG2-CG2 4.45Å; I718-T720 PolarHBondContact O-N 3.41Å | ||
| 719 | T | 24.7 | Very low | 25.6 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | -63.6 | 91.8 | 164.9 | 8.4 | 0 | 0 | 0 | 0 | 107.1 | T717 R721 | T717-T719 PolarHBondContact O-N 3.4Å; T719-R721 PolarHBondContact O-N 3.49Å | ||
| 720 | T | 23.4 | Very low | 25.6 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | trans | -61.3 | 92.2 | 156.7 | 47 | 0 | 0 | 0 | 0 | 106.4 | I718 T722 | I718-T720 HydrophobicContact CG2-CG2 4.45Å; I718-T720 PolarHBondContact O-N 3.41Å; T720-T722 PolarHBondContact O-N 2.88Å | ||
| 721 | R | 23.4 | Very low | 26 | Very low | 220 Ų | 220 | 134.9 Ų | 134.9 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | -59.8 | 90.3 | 163 | -95.3 | -177.9 | 169.4 | 176.4 | -3.2 | 106.7 | T719 N723 | T719-R721 PolarHBondContact O-N 3.49Å; R721-N723 PolarHBondContact O-N 3.07Å | ||
| 722 | T | 25.1 | Very low | 26 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | -64.6 | 96.4 | 153.6 | 44.2 | 0 | 0 | 0 | 0 | 105.3 | T720 S724 | T720-T722 PolarHBondContact O-N 2.88Å; T722-S724 PolarHBondContact O-N 2.92Å | ||
| 723 | N | 25.6 | Very low | 26.4 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | trans | -62.8 | 83 | 164.7 | -95.5 | -5.4 | 0 | 0 | 0 | 106.9 | R721 Q725 | R721-N723 PolarHBondContact O-N 3.07Å; N723-Q725 HydrophobicContact CB-CG 4.42Å; N723-Q725 PolarHBondContact O-N 2.88Å | ||
| 724 | S | 24.1 | Very low | 26.9 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -69.5 | 73 | 154.7 | 45.2 | 0 | 0 | 0 | 0 | 106.4 | T722 S726 | T722-S724 PolarHBondContact O-N 2.92Å; S724-S726 PolarHBondContact O-N 3.44Å | ||
| 725 | Q | 25.3 | Very low | 27.4 | Very low | 151 Ų | 151 | 133 Ų | 133 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -66.4 | 93.1 | 160.3 | -77 | -176.8 | -15.9 | 0 | 0 | 105.3 | N723 F727 | N723-Q725 HydrophobicContact CB-CG 4.42Å; N723-Q725 PolarHBondContact O-N 2.88Å; Q725-F727 PolarHBondContact O-N 2.97Å; Q725-F727 VanDerWaalsContact O-N 3.08Å | ||
| 726 | S | 24.6 | Very low | 27.7 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -46.1 | 117.1 | 155.6 | 43.8 | 0 | 0 | 0 | 0 | 106.3 | S724 K728 | S724-S726 PolarHBondContact O-N 3.44Å; S726-K728 PolarHBondContact O-N 3.41Å | ||
| 727 | F | 25.2 | Very low | 28.2 | Very low | 205 Ų | 205 | 128.7 Ų | 128.7 | 90% | 0.899 | 72% | 0.716 | S | S | * | * | trans | -56.7 | 95.9 | 172.2 | -83.3 | -91.5 | 0 | 0 | 0 | 106.9 | Q725 S729 | Q725-F727 PolarHBondContact O-N 2.97Å; Q725-F727 VanDerWaalsContact O-N 3.08Å; F727-S729 PolarHBondContact O-N 2.62Å; F727-S729 VanDerWaalsContact O-N 3.09Å | ||
| 728 | K | 27.4 | Very low | 28.8 | Very low | 190 Ų | 190 | 129.1 Ų | 129.1 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | trans | -62.7 | 112.4 | 163.1 | -75.3 | -173.7 | 176.1 | -176.1 | 0 | 104.8 | S726 L730 | S726-K728 PolarHBondContact O-N 3.41Å; K728-L730 PolarHBondContact O-N 2.87Å | ||
| 729 | S | 27.3 | Very low | 29.4 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | trans | -37 | 125.4 | 176 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | F727 S731 | F727-S729 PolarHBondContact O-N 2.62Å; F727-S729 VanDerWaalsContact O-N 3.09Å; S729-S731 VanDerWaalsContact C-N 3.28Å; S729-S731 PolarHBondContact O-N 3.1Å | ||
| 730 | L | 28.6 | Very low | 30.2 | Very low | 177 Ų | 177 | 123.5 Ų | 123.5 | 93% | 0.927 | 68% | 0.679 | S | S | * | * | trans | -54.9 | 90.8 | 171.9 | -80.6 | 142.6 | 0 | 0 | 0 | 109.4 | K728 S732 | K728-L730 PolarHBondContact O-N 2.87Å; L730-S732 PolarHBondContact O-N 3.18Å | ||
| 731 | S | 31.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | -89.9 | 87.3 | 175.7 | 60.9 | 0 | 0 | 0 | 0 | 108.8 | S729 | S729-S731 VanDerWaalsContact C-N 3.28Å; S729-S731 PolarHBondContact O-N 3.1Å | ||
| 732 | S | 29.7 | Very low | 31.9 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | trans | -175.7 | 82.9 | 148.7 | 40.9 | 0 | 0 | 0 | 0 | 107.9 | L730 | L730-S732 PolarHBondContact O-N 3.18Š| ||
| 733 | L | 32.4 | Very low | 32.7 | Very low | 136 Ų | 136 | 116.1 Ų | 116.1 | 71% | 0.712 | 64% | 0.643 | S | S | * | * | trans | -65 | 142.5 | 165 | -86.2 | 149.2 | 0 | 0 | 0 | 108.6 | L737 | L733-L737 HydrophobicContact CB-CD1 4.46Å; L733-L737 HydrophobicContact CD2-CD1 3.83Å | ||
| 734 | P | 37.8 | Very low | 33.7 | Very low | 92 Ų | 92 | 115.8 Ų | 115.8 | 60% | 0.597 | 64% | 0.637 | S | S | * | * | trans | -61.7 | 140.8 | -176.8 | -17.8 | 30 | 0 | 0 | 0 | 110.8 | A736 L737 | P734-A736 PolarHBondContact O-N 3.02Å; P734-L737 PolarHBondContact O-N 2.94Å | ||
| 735 | I | 38.3 | Very low | 34.6 | Very low | 135 Ų | 135 | 116.8 Ų | 116.8 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.1 | -25.4 | 179.5 | -70.3 | 156.4 | 0 | 0 | 0 | 114.6 | L737 Q738 I739 | I735-L737 VanDerWaalsContact C-N 3.26Å; I735-L737 PolarHBondContact O-N 3.16Å; I735-Q738 PolarHBondContact O-N 3.08Å; I735-Q738 VanDerWaalsContact O-N 3.14Å; I735-I739 HydrophobicContact CG2-CD1 3.86Å; I735-I739 HydrophobicContact CG2-CG1 4.22Å; I735-I739 WeakPolarHBondContact O-CG1 3.4Å; I735-I739 PolarHBondContact O-N 3.34Å; I735-I739 VanDerWaalsContact O-N 3.16Å |
| 736 | A | 32.4 | Very low | 35.3 | Very low | 69 Ų | 69 | 114.4 Ų | 114.4 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -53.8 | -35.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | P734 V740 | P734-A736 PolarHBondContact O-N 3.02Å; A736-V740 WeakPolarHBondContact O-CG2 3.31Å |
| 737 | L | 35.8 | Very low | 36.4 | Very low | 80 Ų | 80 | 113.9 Ų | 113.9 | 42% | 0.419 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.9 | -30.8 | 177 | -77.4 | 171.4 | 0 | 0 | 0 | 113.5 | L733 P734 I735 I739 V740 H741 | L733-L737 HydrophobicContact CB-CD1 4.46Å; L733-L737 HydrophobicContact CD2-CD1 3.83Å; P734-L737 PolarHBondContact O-N 2.94Å; I735-L737 VanDerWaalsContact C-N 3.26Å; I735-L737 PolarHBondContact O-N 3.16Å; L737-I739 VanDerWaalsContact C-N 3.28Å; L737-I739 PolarHBondContact O-N 3.04Å; L737-V740 PolarHBondContact O-N 3.17Å; L737-H741 PolarHBondContact O-N 3.02Å |
| 738 | Q | 37.2 | Very low | 37.5 | Very low | 115 Ų | 115 | 108.1 Ų | 108.1 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.2 | -38.7 | 175 | -171 | 62.8 | 42.6 | 0 | 0 | 110.8 | I735 V740 H741 D742 | I735-Q738 PolarHBondContact O-N 3.08Å; I735-Q738 VanDerWaalsContact O-N 3.14Å; Q738-V740 VanDerWaalsContact C-N 3.3Å; Q738-V740 PolarHBondContact O-N 2.85Å; Q738-H741 PolarHBondContact O-N 2.63Å; Q738-D742 PolarHBondContact NE2-OD1 3.15Å; Q738-D742 PolarHBondContact O-N 2.77Å |
| 739 | I | 38 | Very low | 38.2 | Very low | 91 Ų | 91 | 102.9 Ų | 102.9 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -33.9 | 176.6 | -65.2 | 171.1 | 0 | 0 | 0 | 111.7 | I735 L737 N743 | I735-I739 HydrophobicContact CG2-CD1 3.86Å; I735-I739 HydrophobicContact CG2-CG1 4.22Å; I735-I739 WeakPolarHBondContact O-CG1 3.4Å; I735-I739 PolarHBondContact O-N 3.34Å; I735-I739 VanDerWaalsContact O-N 3.16Å; L737-I739 VanDerWaalsContact C-N 3.28Å; L737-I739 PolarHBondContact O-N 3.04Å; I739-N743 WeakPolarHBondContact CG2-ND2 3.35Å; I739-N743 WeakPolarHBondContact O-CB 3.5Å; I739-N743 VanDerWaalsContact O-CG 3.29Å; I739-N743 PolarHBondContact O-N 3.2Å; I739-N743 VanDerWaalsContact O-N 3.15Å; I739-N743 PolarHBondContact O-ND2 3.43Å; I739-N743 VanDerWaalsContact O-ND2 3.08Å |
| 740 | V | 41.1 | Very low | 38.8 | Very low | 54 Ų | 54 | 102.3 Ų | 102.3 | 33% | 0.327 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.9 | -43.6 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | A736 L737 Q738 N743 E744 | A736-V740 WeakPolarHBondContact O-CG2 3.31Å; L737-V740 PolarHBondContact O-N 3.17Å; Q738-V740 VanDerWaalsContact C-N 3.3Å; Q738-V740 PolarHBondContact O-N 2.85Å; V740-N743 PolarHBondContact O-N 3.31Å; V740-E744 PolarHBondContact O-N 3.37Å; V740-E744 VanDerWaalsContact O-N 3.17Å |
| 741 | H | 41.5 | Very low | 39.7 | Very low | 132 Ų | 132 | 99.4 Ų | 99.4 | 61% | 0.611 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.1 | -38.1 | -178.6 | -124.8 | -60.5 | 0 | 0 | 0 | 112.9 | L737 Q738 N743 Y745 | L737-H741 PolarHBondContact O-N 3.02Å; Q738-H741 PolarHBondContact O-N 2.63Å; H741-N743 VanDerWaalsContact C-N 3.35Å; H741-Y745 PolarHBondContact O-N 2.99Å |
| 742 | D | 41 | Very low | 40.3 | Very low | 83 Ų | 83 | 100.6 Ų | 100.6 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.1 | -34 | 177.4 | -66.3 | -14.1 | 0 | 0 | 0 | 111.4 | Q738 Y745 I746 | Q738-D742 PolarHBondContact NE2-OD1 3.15Å; Q738-D742 PolarHBondContact O-N 2.77Å; D742-Y745 PolarHBondContact O-N 3.35Å; D742-I746 WeakPolarHBondContact O-CG1 3.45Å; D742-I746 PolarHBondContact O-N 3.39Å |
| 743 | N | 42 | Very low | 41.1 | Very low | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.4 | -34.4 | 177.9 | -78.8 | -31.7 | 0 | 0 | 0 | 113.3 | I739 V740 H741 Y745 I746 I747 | I739-N743 WeakPolarHBondContact CG2-ND2 3.35Å; I739-N743 WeakPolarHBondContact O-CB 3.5Å; I739-N743 VanDerWaalsContact O-CG 3.29Å; I739-N743 PolarHBondContact O-N 3.2Å; I739-N743 VanDerWaalsContact O-N 3.15Å; I739-N743 PolarHBondContact O-ND2 3.43Å; I739-N743 VanDerWaalsContact O-ND2 3.08Å; V740-N743 PolarHBondContact O-N 3.31Å; H741-N743 VanDerWaalsContact C-N 3.35Å; N743-Y745 VanDerWaalsContact C-N 3.26Å; N743-Y745 PolarHBondContact O-N 3.09Å; N743-I746 PolarHBondContact O-N 3.11Å; N743-I747 VanDerWaalsContact O-CG1 3.32Å; N743-I747 WeakPolarHBondContact O-CG1 3.36Å; N743-I747 PolarHBondContact O-N 3.09Å |
| 744 | E | 46.7 | Very low | 41.7 | Very low | 114 Ų | 114 | 96.3 Ų | 96.3 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 175.4 | -159.8 | 175.3 | -163.2 | 0 | 0 | 111.4 | V740 N748 | V740-E744 PolarHBondContact O-N 3.37Å; V740-E744 VanDerWaalsContact O-N 3.17Å; E744-N748 WeakPolarHBondContact O-CB 3.43Å; E744-N748 PolarHBondContact O-N 2.98Å; E744-N748 VanDerWaalsContact O-N 3.16Å; E744-N748 PolarHBondContact O-ND2 3.25Å |
| 745 | Y | 42 | Very low | 42.1 | Very low | 129 Ų | 129 | 96.6 Ų | 96.6 | 51% | 0.506 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 172.3 | -172.2 | -99 | 0 | 0 | 0 | 112.4 | H741 D742 N743 Q749 | H741-Y745 PolarHBondContact O-N 2.99Å; D742-Y745 PolarHBondContact O-N 3.35Å; N743-Y745 VanDerWaalsContact C-N 3.26Å; N743-Y745 PolarHBondContact O-N 3.09Å; Y745-Q749 HydrophobicContact CE1-CG 4.43Å; Y745-Q749 PolarHBondContact O-N 3.14Å; Y745-Q749 PolarHBondContact OH-NE2 2.8Å |
| 746 | I | 41.8 | Very low | 42.5 | Very low | 101 Ų | 101 | 94.7 Ų | 94.7 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69 | -40 | 178.7 | -66.1 | 170.2 | 0 | 0 | 0 | 111.6 | D742 N743 Q749 C750 | D742-I746 WeakPolarHBondContact O-CG1 3.45Å; D742-I746 PolarHBondContact O-N 3.39Å; N743-I746 PolarHBondContact O-N 3.11Å; I746-Q749 PolarHBondContact O-N 3.26Å; I746-C750 PolarHBondContact O-N 2.98Å; I746-C750 VanDerWaalsContact O-N 3.09Å |
| 747 | I | 47.6 | Very low | 43 | Very low | 88 Ų | 88 | 96.7 Ų | 96.7 | 45% | 0.451 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 178.5 | -68.1 | 167.5 | 0 | 0 | 0 | 110.6 | N743 Q749 C750 E751 | N743-I747 VanDerWaalsContact O-CG1 3.32Å; N743-I747 WeakPolarHBondContact O-CG1 3.36Å; N743-I747 PolarHBondContact O-N 3.09Å; I747-Q749 VanDerWaalsContact C-N 3.29Å; I747-Q749 PolarHBondContact O-N 3.27Å; I747-C750 PolarHBondContact O-N 3.44Å; I747-C750 VanDerWaalsContact O-N 3.12Å; I747-E751 PolarHBondContact O-N 3.42Å |
| 748 | N | 48 | Very low | 43.5 | Very low | 84 Ų | 84 | 99.9 Ų | 99.9 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 178.6 | -77.3 | -42.9 | 0 | 0 | 0 | 113 | E744 Q752 | E744-N748 WeakPolarHBondContact O-CB 3.43Å; E744-N748 PolarHBondContact O-N 2.98Å; E744-N748 VanDerWaalsContact O-N 3.16Å; E744-N748 PolarHBondContact O-ND2 3.25Å; N748-Q752 PolarHBondContact O-N 3.27Å; N748-Q752 VanDerWaalsContact O-N 3.17Å |
| 749 | Q | 41 | Very low | 43.9 | Very low | 80 Ų | 80 | 100.2 Ų | 100.2 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.7 | -36.1 | 172.5 | -72.5 | -148.3 | -9.4 | 0 | 0 | 113.1 | Y745 I746 I747 N753 | Y745-Q749 HydrophobicContact CE1-CG 4.43Å; Y745-Q749 PolarHBondContact O-N 3.14Å; Y745-Q749 PolarHBondContact OH-NE2 2.8Å; I746-Q749 PolarHBondContact O-N 3.26Å; I747-Q749 VanDerWaalsContact C-N 3.29Å; I747-Q749 PolarHBondContact O-N 3.27Å; Q749-N753 PolarHBondContact O-N 3.1Å; Q749-N753 VanDerWaalsContact O-N 3.14Å; Q749-N753 PolarHBondContact O-ND2 3.46Å |
| 750 | C | 41.3 | Very low | 44.1 | Very low | 87 Ų | 87 | 102.4 Ų | 102.4 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -38.3 | 173.5 | -90.8 | 0 | 0 | 0 | 0 | 112.3 | I746 I747 N753 S754 | I746-C750 PolarHBondContact O-N 2.98Å; I746-C750 VanDerWaalsContact O-N 3.09Å; I747-C750 PolarHBondContact O-N 3.44Å; I747-C750 VanDerWaalsContact O-N 3.12Å; C750-N753 PolarHBondContact O-N 3.28Å; C750-S754 WeakPolarHBondContact O-CB 3.49Å; C750-S754 PolarHBondContact O-N 3.25Å |
| 751 | E | 46.1 | Very low | 43.9 | Very low | 116 Ų | 116 | 106.1 Ų | 106.1 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 177.1 | -74.6 | -169 | 162.9 | 0 | 0 | 112.5 | I747 N753 S754 I755 | I747-E751 PolarHBondContact O-N 3.42Å; E751-N753 PolarHBondContact O-N 2.88Å; E751-S754 PolarHBondContact O-N 3.48Å; E751-I755 VanDerWaalsContact O-CG1 3.31Å; E751-I755 WeakPolarHBondContact O-CG1 3.32Å; E751-I755 PolarHBondContact O-N 3.47Å |
| 752 | Q | 45.7 | Very low | 43.5 | Very low | 135 Ų | 135 | 108.2 Ų | 108.2 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.4 | -36.7 | 174.9 | -74.6 | -166.4 | -1.7 | 0 | 0 | 112.8 | N748 I755 N756 | N748-Q752 PolarHBondContact O-N 3.27Å; N748-Q752 VanDerWaalsContact O-N 3.17Å; Q752-I755 PolarHBondContact O-N 3.15Å; Q752-N756 PolarHBondContact O-N 3.01Å; Q752-N756 PolarHBondContact O-ND2 3.15Å |
| 753 | N | 46 | Very low | 43.1 | Very low | 99 Ų | 99 | 109 Ų | 109 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.3 | -36.3 | 174.5 | -71.5 | -20.8 | 0 | 0 | 0 | 111.9 | Q749 C750 E751 I755 N756 D757 | Q749-N753 PolarHBondContact O-N 3.1Å; Q749-N753 VanDerWaalsContact O-N 3.14Å; Q749-N753 PolarHBondContact O-ND2 3.46Å; C750-N753 PolarHBondContact O-N 3.28Å; E751-N753 PolarHBondContact O-N 2.88Å; N753-I755 VanDerWaalsContact C-N 3.34Å; N753-I755 PolarHBondContact O-N 3.16Å; N753-N756 PolarHBondContact O-N 3.41Å; N753-D757 PolarHBondContact O-N 3.46Å; N753-D757 VanDerWaalsContact O-N 3.15Å |
| 754 | S | 43.8 | Very low | 42.6 | Very low | 58 Ų | 58 | 112.2 Ų | 112.2 | 41% | 0.406 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66 | -34 | 175 | -167.2 | 0 | 0 | 0 | 0 | 113.2 | C750 E751 K758 | C750-S754 WeakPolarHBondContact O-CB 3.49Å; C750-S754 PolarHBondContact O-N 3.25Å; E751-S754 PolarHBondContact O-N 3.48Å; S754-K758 PolarHBondContact O-N 2.97Å |
| 755 | I | 47.5 | Very low | 42 | Very low | 98 Ų | 98 | 116.2 Ų | 116.2 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.7 | -37.9 | 176.1 | -68.2 | 165.5 | 0 | 0 | 0 | 110.8 | E751 Q752 N753 D757 K758 I759 | E751-I755 VanDerWaalsContact O-CG1 3.31Å; E751-I755 WeakPolarHBondContact O-CG1 3.32Å; E751-I755 PolarHBondContact O-N 3.47Å; Q752-I755 PolarHBondContact O-N 3.15Å; N753-I755 VanDerWaalsContact C-N 3.34Å; N753-I755 PolarHBondContact O-N 3.16Å; I755-D757 PolarHBondContact O-N 3.02Å; I755-K758 PolarHBondContact O-N 3.17Å; I755-I759 HydrophobicContact CG2-CD1 4.06Å; I755-I759 WeakPolarHBondContact O-CG1 3.25Å; I755-I759 PolarHBondContact O-N 3.39Å; I755-I759 VanDerWaalsContact O-N 3.11Å |
| 756 | N | 45.4 | Very low | 41.3 | Very low | 95 Ų | 95 | 117.8 Ų | 117.8 | 51% | 0.508 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.1 | -37.3 | 176.8 | -73.3 | -26.1 | 0 | 0 | 0 | 112.4 | Q752 N753 K758 I759 L760 | Q752-N756 PolarHBondContact O-N 3.01Å; Q752-N756 PolarHBondContact O-ND2 3.15Å; N753-N756 PolarHBondContact O-N 3.41Å; N756-K758 VanDerWaalsContact C-N 3.34Å; N756-K758 PolarHBondContact O-N 3.3Å; N756-I759 PolarHBondContact O-N 2.96Å; N756-L760 PolarHBondContact O-N 3.5Å |
| 757 | D | 44.4 | Very low | 40.6 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.3 | -30.5 | 174.9 | -77.2 | -21.5 | 0 | 0 | 0 | 112.9 | N753 I755 N761 | N753-D757 PolarHBondContact O-N 3.46Å; N753-D757 VanDerWaalsContact O-N 3.15Å; I755-D757 PolarHBondContact O-N 3.02Å; D757-N761 PolarHBondContact O-N 3.38Å; D757-N761 PolarHBondContact O-ND2 3.05Å |
| 758 | K | 44.8 | Very low | 39.9 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.6 | -27 | 174.5 | -77.5 | -179.8 | -179.1 | 175 | 0 | 113.4 | S754 I755 N756 | S754-K758 PolarHBondContact O-N 2.97Å; I755-K758 PolarHBondContact O-N 3.17Å; N756-K758 VanDerWaalsContact C-N 3.34Å; N756-K758 PolarHBondContact O-N 3.3Å |
| 759 | I | 46.3 | Very low | 38.9 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 62% | 0.621 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.3 | -30.7 | 175.9 | -66.8 | 169.5 | 0 | 0 | 0 | 110.9 | I755 N756 | I755-I759 HydrophobicContact CG2-CD1 4.06Å; I755-I759 WeakPolarHBondContact O-CG1 3.25Å; I755-I759 PolarHBondContact O-N 3.39Å; I755-I759 VanDerWaalsContact O-N 3.11Å; N756-I759 PolarHBondContact O-N 2.96Å |
| 760 | L | 41.3 | Very low | 38.3 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 72% | 0.723 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.1 | -32.3 | 179 | -132.4 | 87.9 | 0 | 0 | 0 | 113.5 | N756 | N756-L760 PolarHBondContact O-N 3.5Å |
| 761 | N | 38 | Very low | 37.5 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -87.1 | -5.9 | -171.8 | -75.8 | -28.7 | 0 | 0 | 0 | 115.8 | D757 | D757-N761 PolarHBondContact O-N 3.38Å; D757-N761 PolarHBondContact O-ND2 3.05Å |
| 762 | H | 33.6 | Very low | 36.8 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 82% | 0.815 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -90.8 | 10 | -179 | -104.4 | -44.6 | 0 | 0 | 0 | 115.9 | ||
| 763 | S | 32.9 | Very low | 35.9 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -89.9 | -0.8 | 179.7 | -50.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 764 | L | 31.2 | Very low | 35 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | trans | -139 | 92.1 | -176.9 | -72.3 | 166.1 | 0 | 0 | 0 | 110.3 | ||||
| 765 | H | 33.5 | Very low | 34.1 | Very low | 198 Ų | 198 | 132.3 Ų | 132.3 | 92% | 0.917 | 72% | 0.722 | S | S | * | * | trans | 177.8 | 121.7 | 131.2 | -94.2 | -63.6 | 0 | 0 | 0 | 110.7 | ||||
| 766 | H | 27.3 | Very low | 33.2 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | -70.1 | 153.4 | -179.4 | -93.2 | -82.8 | 0 | 0 | 0 | 114.3 | ||||
| 767 | H | 27.2 | Very low | 32.4 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | 49.7 | 113.7 | 145.2 | -68 | -66.8 | 0 | 0 | 0 | 119.6 | ||||
| 768 | N | 32.2 | Very low | 31.7 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | -175.4 | 124.4 | 108.5 | -95.5 | -23.7 | 0 | 0 | 0 | 114.4 | |||||
| 769 | S | 27.4 | Very low | 31 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | 58 | 117.6 | 137 | 58.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 770 | L | 28.1 | Very low | 30.1 | Very low | 160 Ų | 160 | 141 Ų | 141 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | 82.3 | 98.4 | 125.6 | -74.9 | 156 | 0 | 0 | 0 | 120.8 | |||||
| 771 | S | 25.3 | Very low | 29.5 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 4.9 | 121.3 | 137.1 | 59.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 772 | V | 30.3 | Very low | 29 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -136.1 | 114.2 | 137 | 178 | 0 | 0 | 0 | 0 | 108 | ||||
| 773 | T | 27 | Very low | 28.8 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -85.1 | 126.5 | 170.3 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 774 | S | 28.2 | Very low | 28.6 | Very low | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -152.9 | 96.8 | 153.2 | 61.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 775 | S | 24.7 | Very low | 28.5 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -68 | 123.2 | 164 | 31.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 776 | L | 28.4 | Very low | 28.1 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -137.9 | 111.3 | 161.8 | -95.1 | 142.2 | 0 | 0 | 0 | 108.6 | ||||
| 777 | S | 28.9 | Very low | 28.2 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -70.1 | 135.9 | -176.6 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | H779 | S777-H779 PolarHBondContact O-N 3.47Š| ||
| 778 | N | 29.8 | Very low | 28.2 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -59.4 | 109.2 | 171.8 | -72.9 | -30.7 | 0 | 0 | 0 | 111.9 | H780 | N778-H780 PolarHBondContact O-N 2.92Š| ||
| 779 | H | 28.9 | Very low | 28.1 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -82.9 | 110.1 | 166.3 | -106 | -56.4 | 0 | 0 | 0 | 110.1 | S777 N781 | S777-H779 PolarHBondContact O-N 3.47Å; H779-N781 PolarHBondContact O-N 3.31Å | ||
| 780 | H | 28.4 | Very low | 28 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 73% | 0.731 | 80% | 0.803 | S | S | * | * | trans | -63.8 | 115.1 | 164.3 | -112.8 | 61.5 | 0 | 0 | 0 | 109.7 | N778 | N778-H780 PolarHBondContact O-N 2.92Š| ||
| 781 | N | 28.4 | Very low | 28 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -106.8 | 97.8 | 167.8 | -87.4 | -24.3 | 0 | 0 | 0 | 109.2 | H779 H783 | H779-N781 PolarHBondContact O-N 3.31Å; N781-H783 PolarHBondContact O-N 3.36Å | ||
| 782 | N | 27.9 | Very low | 28.1 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -78.3 | 107.6 | 167.4 | -81.5 | -28 | 0 | 0 | 0 | 109 | L784 | N782-L784 PolarHBondContact O-N 3.36Š| ||
| 783 | H | 29.3 | Very low | 28.1 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 104.8 | 171.7 | -122.2 | -75.9 | 0 | 0 | 0 | 109.6 | N781 I785 | N781-H783 PolarHBondContact O-N 3.36Å; H783-I785 PolarHBondContact O-N 2.96Å | ||
| 784 | L | 27.3 | Very low | 28.1 | Very low | 165 Ų | 165 | 151.1 Ų | 151.1 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -64.7 | 115.7 | 164.5 | -82.1 | 148.2 | 0 | 0 | 0 | 109 | N782 | N782-L784 PolarHBondContact O-N 3.36Š| ||
| 785 | I | 30.1 | Very low | 28.7 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | trans | -102.3 | 105.5 | 165.4 | -63.8 | 178.6 | 0 | 0 | 0 | 107.3 | H783 | H783-I785 PolarHBondContact O-N 2.96Š| ||
| 786 | E | 25.7 | Very low | 28.9 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -78 | 114.8 | 176 | -166.8 | 177.4 | -154.3 | 0 | 0 | 109.1 | ||||
| 787 | S | 29.4 | Very low | 28.8 | Very low | 116 Ų | 116 | 159.5 Ų | 159.5 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -114.6 | 83.7 | 173.4 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 788 | S | 27 | Very low | 28.9 | Very low | 101 Ų | 101 | 160.8 Ų | 160.8 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | trans | -83 | 102.3 | 163.2 | -78.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 789 | L | 29.6 | Very low | 28.9 | Very low | 180 Ų | 180 | 164.5 Ų | 164.5 | 94% | 0.942 | 82% | 0.82 | S | S | * | * | trans | -139.3 | 115.1 | 154 | -81 | -179.2 | 0 | 0 | 0 | 111.5 | ||||
| 790 | R | 24.2 | Very low | 29 | Very low | 229 Ų | 229 | 166.8 Ų | 166.8 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -98.8 | 121.9 | -176.5 | -166.5 | -169.5 | -157.2 | -160.6 | 8 | 107.2 | ||||
| 791 | S | 29.9 | Very low | 29.1 | Very low | 113 Ų | 113 | 164.3 Ų | 164.3 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -154.4 | 111.9 | 155.4 | 64 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 792 | R | 25.6 | Very low | 29.6 | Very low | 225 Ų | 225 | 163.3 Ų | 163.3 | 85% | 0.849 | 83% | 0.83 | S | S | * | * | trans | -64.1 | 130 | 166 | -67.9 | 173 | -178.9 | 179.6 | -1.3 | 109.9 | ||||
| 793 | I | 31.1 | Very low | 30 | Very low | 166 Ų | 166 | 161 Ų | 161 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -140.6 | 119.6 | 145.3 | -60 | -175.7 | 0 | 0 | 0 | 108 | ||||
| 794 | S | 27.2 | Very low | 30.3 | Very low | 102 Ų | 102 | 158.2 Ų | 158.2 | 71% | 0.713 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 162.1 | 178.5 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 795 | P | 40.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 156 Ų | 156 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 129.6 | -157.2 | 33.9 | -30.9 | 0 | 0 | 0 | 112.3 | ||
| 796 | Q | 29 | Very low | 31.1 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -102 | 117.8 | 165.4 | -76.6 | -159.6 | -2.9 | 0 | 0 | 111 | T798 | Q796-T798 PolarHBondContact O-N 2.94Š|
| 797 | R | 25.9 | Very low | 31.5 | Very low | 253 Ų | 253 | 151.2 Ų | 151.2 | 96% | 0.955 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 119.4 | 158.5 | -87.7 | 172.6 | 159.5 | 176.9 | -4.9 | 109.7 | ||
| 798 | T | 31.8 | Very low | 31.8 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | trans | -129.8 | 127.7 | 159.7 | 48 | 0 | 0 | 0 | 0 | 110.7 | Q796 | Q796-T798 PolarHBondContact O-N 2.94Š| ||
| 799 | R | 30.8 | Very low | 32.1 | Very low | 241 Ų | 241 | 153.7 Ų | 153.7 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -54.7 | 139.7 | -175.5 | -83.1 | 169 | 160 | 171.9 | -7 | 113 | S801 | R799-S801 PolarHBondContact O-N 3.5Š| ||
| 800 | K | 29.8 | Very low | 32.2 | Very low | 218 Ų | 218 | 150 Ų | 150 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | -47.3 | 116.1 | 162.2 | -70.6 | 179.7 | 174.1 | -177.2 | 0 | 110.2 | ||||
| 801 | S | 31.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -110.8 | 142.5 | 164.5 | -55.2 | 0 | 0 | 0 | 0 | 107.7 | R799 | R799-S801 PolarHBondContact O-N 3.5Š| ||
| 802 | P | 38.2 | Very low | 32.7 | Very low | 127 Ų | 127 | 148 Ų | 148 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 154.3 | -159.2 | 31.8 | -32 | 0 | 0 | 0 | 113.1 | ||
| 803 | A | 36.1 | Very low | 33 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 141.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 804 | P | 36 | Very low | 32.9 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 148.9 | 179.8 | 30.3 | -32.8 | 0 | 0 | 0 | 111.4 | ||
| 805 | P | 36.4 | Very low | 33 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 154.3 | -179.6 | 30.9 | -34 | 0 | 0 | 0 | 111.9 | ||
| 806 | P | 37 | Very low | 32.3 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 149.8 | -171.8 | 28.2 | -33.8 | 0 | 0 | 0 | 112.7 | ||
| 807 | P | 34.4 | Very low | 32.2 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 145.5 | -173.2 | 29.8 | -33.2 | 0 | 0 | 0 | 112.2 | ||
| 808 | P | 35.9 | Very low | 32.6 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 127.4 | -179.6 | 29.8 | -31.6 | 0 | 0 | 0 | 111.1 | S810 | P808-S810 PolarHBondContact O-N 3.32Š|
| 809 | T | 33.1 | Very low | 32.4 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | trans | -71.7 | 85.2 | 174.8 | 37.3 | 0 | 0 | 0 | 0 | 110.7 | A811 | T809-A811 PolarHBondContact O-N 3.39Š| ||
| 810 | S | 33 | Very low | 32.3 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -79.7 | 113.5 | 170.7 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | P808 K812 | P808-S810 PolarHBondContact O-N 3.32Å; S810-K812 PolarHBondContact O-N 2.86Å | ||
| 811 | A | 32.1 | Very low | 32 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -52.8 | 120.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T809 Y813 | T809-A811 PolarHBondContact O-N 3.39Å; A811-Y813 PolarHBondContact O-N 3.22Å | ||
| 812 | K | 32.5 | Very low | 31.8 | Very low | 204 Ų | 204 | 138 Ų | 138 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -76.5 | 106 | 174.7 | -80.5 | -178.8 | 177.4 | 175.1 | 0 | 109.8 | S810 | S810-K812 PolarHBondContact O-N 2.86Š| ||
| 813 | Y | 30.6 | Very low | 31.2 | Very low | 221 Ų | 221 | 137.5 Ų | 137.5 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -52.1 | 127.2 | 163.8 | -111 | -105.7 | 0 | 0 | 0 | 111.4 | A811 K815 | A811-Y813 PolarHBondContact O-N 3.22Å; Y813-K815 PolarHBondContact O-N 3.35Å | ||
| 814 | V | 29.2 | Very low | 30.7 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -72.8 | 112.7 | 169.9 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 815 | K | 28.8 | Very low | 30.2 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -94.1 | 99.7 | 169.1 | -103.8 | -177 | 177.2 | 178.2 | 0 | 109.3 | Y813 | Y813-K815 PolarHBondContact O-N 3.35Š| ||
| 816 | T | 25.9 | Very low | 30.1 | Very low | 131 Ų | 131 | 143 Ų | 143 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -69.8 | 120.2 | 167.2 | -25.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 817 | I | 28.1 | Very low | 29.6 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -106.7 | 130.3 | 171.2 | -62.5 | 177.2 | 0 | 0 | 0 | 107.6 | ||||
| 818 | P | 33.2 | Very low | 29.1 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -85.3 | 140.2 | -164.6 | 33.4 | -33.8 | 0 | 0 | 0 | 112.9 | K820 | P818-K820 PolarHBondContact O-N 3.4Š| ||
| 819 | V | 27.9 | Very low | 28.6 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -67.8 | 112.1 | 174.3 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 820 | K | 27.7 | Very low | 28.3 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -92.5 | 114.8 | 171.8 | -131.7 | 177.4 | -175.4 | -178.7 | 0 | 108.3 | P818 L822 | P818-K820 PolarHBondContact O-N 3.4Å; K820-L822 PolarHBondContact O-N 3.25Å | ||
| 821 | S | 24.5 | Very low | 27.9 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -59.4 | 120.2 | 170.8 | 40.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 822 | L | 27 | Very low | 27.7 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -104.5 | 114 | 163.6 | -94 | 98.4 | 0 | 0 | 0 | 109.3 | K820 | K820-L822 PolarHBondContact O-N 3.25Š| ||
| 823 | S | 25.2 | Very low | 27.7 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -62.9 | 119.5 | 164.5 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 824 | T | 26.9 | Very low | 27.6 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -96.6 | 104.4 | 169.4 | 43.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 825 | E | 24.6 | Very low | 27.4 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -79.3 | 150 | 159.5 | -91 | -172.2 | 158.2 | 0 | 0 | 110.3 | ||||
| 826 | P | 34.7 | Very low | 27.5 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -90.7 | 120.6 | -163.5 | 34 | -29.2 | 0 | 0 | 0 | 111.2 | ||||
| 827 | T | 26.8 | Very low | 27.7 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -96.6 | 113.5 | 169.5 | -36.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 828 | T | 23.3 | Very low | 27.9 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -58.5 | 128 | 169 | 38.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 829 | L | 26.4 | Very low | 28 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -137.8 | 133 | 164 | -106.8 | 136.7 | 0 | 0 | 0 | 110.6 | ||||
| 830 | S | 26.5 | Very low | 28.3 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -61.8 | 140.4 | -163.9 | 47.7 | 0 | 0 | 0 | 0 | 114.5 | T832 | S830-T832 PolarHBondContact O-N 3.09Š| ||
| 831 | Q | 24.5 | Very low | 28.6 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -62.3 | 120.5 | 170.4 | -63.2 | 167.5 | -16.8 | 0 | 0 | 111.1 | ||||
| 832 | T | 26.9 | Very low | 29 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | trans | -137.8 | 134 | 149.2 | 43.5 | 0 | 0 | 0 | 0 | 108.7 | S830 | S830-T832 PolarHBondContact O-N 3.09Š| ||
| 833 | P | 33.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -88.2 | 121.8 | -158.3 | 33.5 | -31.1 | 0 | 0 | 0 | 111.5 | T835 | P833-T835 PolarHBondContact O-N 2.79Š| ||
| 834 | V | 28.2 | Very low | 30.1 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -93.7 | 86.6 | 168.4 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 835 | T | 25.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -105.9 | 93.8 | 166.9 | -41.5 | 0 | 0 | 0 | 0 | 106.9 | P833 | P833-T835 PolarHBondContact O-N 2.79Š| ||
| 836 | T | 30.5 | Very low | 31 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | 154.1 | 84.4 | 150.4 | 45.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 837 | T | 30.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -156.4 | 34.1 | 156.8 | -11.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 838 | I | 31.3 | Very low | 31.7 | Very low | 165 Ų | 165 | 126.4 Ų | 126.4 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -118.6 | 38.4 | 173 | -45.2 | -178.6 | 0 | 0 | 0 | 110.9 | ||
| 839 | K | 35 | Very low | 32.1 | Very low | 190 Ų | 190 | 127.1 Ų | 127.1 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -123.6 | 6.7 | 172.2 | -118.2 | -175.9 | -178.4 | -176 | 0 | 116 | ||
| 840 | E | 34.9 | Very low | 32.3 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -113.6 | -13.2 | 179.4 | -75.6 | -176 | 158.4 | 0 | 0 | 115.5 | ||
| 841 | T | 33.2 | Very low | 32.5 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -3.2 | 177.5 | 11.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 842 | A | 33.3 | Very low | 32.9 | Very low | 76 Ų | 76 | 129 Ų | 129 | 63% | 0.628 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -15.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 843 | T | 37.7 | Very low | 33.1 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 60% | 0.595 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -25 | -176.1 | -30.1 | 0 | 0 | 0 | 0 | 112.7 | A845 F846 | T843-A845 VanDerWaalsContact C-N 3.32Å; T843-A845 PolarHBondContact O-N 3.35Å; T843-F846 PolarHBondContact O-N 2.77Å |
| 844 | T | 37.6 | Very low | 33.1 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -16.6 | -179 | -23.7 | 0 | 0 | 0 | 0 | 113.6 | S847 | T844-S847 PolarHBondContact O-OG 3.49Š|
| 845 | A | 36.2 | Very low | 33.2 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 63% | 0.628 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -17.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T843 | T843-A845 VanDerWaalsContact C-N 3.32Å; T843-A845 PolarHBondContact O-N 3.35Å |
| 846 | F | 33.7 | Very low | 33.4 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -17.3 | 179.4 | -113.3 | -83.3 | 0 | 0 | 0 | 113.8 | T843 A848 | T843-F846 PolarHBondContact O-N 2.77Å; F846-A848 VanDerWaalsContact C-N 3.3Å; F846-A848 PolarHBondContact O-N 2.87Å |
| 847 | S | 38.7 | Very low | 33.4 | Very low | 85 Ų | 85 | 133 Ų | 133 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -3.9 | -179.7 | 51.6 | 0 | 0 | 0 | 0 | 114.9 | T844 | T844-S847 PolarHBondContact O-OG 3.49Š|
| 848 | A | 38.2 | Very low | 33.3 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 3.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F846 | F846-A848 VanDerWaalsContact C-N 3.3Å; F846-A848 PolarHBondContact O-N 2.87Å |
| 849 | L | 32.5 | Very low | 33.3 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -118.1 | 11.1 | -179.2 | -77.3 | 168.6 | 0 | 0 | 0 | 114.6 | ||
| 850 | N | 30.5 | Very low | 33 | Very low | 141 Ų | 141 | 131 Ų | 131 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | -102.8 | 77.4 | 172.4 | -76.1 | -13.1 | 0 | 0 | 0 | 110.6 | ||||
| 851 | H | 30.4 | Very low | 32.7 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | -151.3 | 71.4 | 157 | -112.6 | -66.1 | 0 | 0 | 0 | 107.9 | ||||
| 852 | E | 33.2 | Very low | 32.7 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -152.3 | 102.3 | 155.3 | -112.4 | 173 | -158.7 | 0 | 0 | 107.4 | L854 | E852-L854 PolarHBondContact O-N 2.97Å; E852-L854 VanDerWaalsContact O-N 3.09Å | ||
| 853 | D | 31.4 | Very low | 32.3 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -59 | 103.7 | 173.6 | -75.5 | -51.5 | 0 | 0 | 0 | 109.7 | ||||
| 854 | L | 32 | Very low | 32 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -120.2 | 93.5 | 160.6 | -82.2 | 162.8 | 0 | 0 | 0 | 108.2 | E852 S856 | E852-L854 PolarHBondContact O-N 2.97Å; E852-L854 VanDerWaalsContact O-N 3.09Å; L854-S856 PolarHBondContact O-N 3.09Å | ||
| 855 | S | 32 | Very low | 31.6 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -49.3 | 125.8 | 172.9 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | H857 | S855-H857 PolarHBondContact O-N 2.64Š| ||
| 856 | S | 28.8 | Very low | 31.4 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -30.8 | 114.3 | 161.5 | 54.1 | 0 | 0 | 0 | 0 | 115 | L854 | L854-S856 PolarHBondContact O-N 3.09Š| ||
| 857 | H | 31.2 | Very low | 31.2 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -122.8 | 86.8 | 146.2 | -93.8 | 11.7 | 0 | 0 | 0 | 108.3 | S855 H859 | S855-H857 PolarHBondContact O-N 2.64Å; H857-H859 PolarHBondContact O-N 3.16Å | ||
| 858 | N | 27.7 | Very low | 30.8 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -68.8 | 105.5 | 162.6 | -80.2 | -20.9 | 0 | 0 | 0 | 108 | ||||
| 859 | H | 31.1 | Very low | 30.5 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -120.8 | 98.4 | 149.3 | -94.4 | -60 | 0 | 0 | 0 | 107.7 | H857 | H857-H859 PolarHBondContact O-N 3.16Š| ||
| 860 | S | 28.3 | Very low | 30.4 | Very low | 91 Ų | 91 | 149 Ų | 149 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -67.1 | 145.4 | 166.9 | 47.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 861 | D | 28.8 | Very low | 30.5 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | 65.3 | 103 | 148.7 | -55.7 | -25.2 | 0 | 0 | 0 | 118.3 | ||||
| 862 | E | 32.6 | Very low | 30.6 | Very low | 178 Ų | 178 | 149.5 Ų | 149.5 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | -157.6 | 99.4 | 124.1 | -109.2 | 172.1 | -163.8 | 0 | 0 | 109.4 | N864 | E862-N864 PolarHBondContact O-N 3.18Š| |||
| 863 | C | 25.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -61.4 | 113.7 | 163.2 | -69.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 864 | N | 31.9 | Very low | 30.6 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -117.8 | 110.6 | 160.1 | -88.7 | -34.7 | 0 | 0 | 0 | 110.2 | E862 F866 | E862-N864 PolarHBondContact O-N 3.18Å; N864-F866 PolarHBondContact O-N 3.26Å | ||
| 865 | D | 29.8 | Very low | 30.7 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -45.4 | 114.6 | 166.5 | -164.9 | 12.9 | 0 | 0 | 0 | 111.7 | ||||
| 866 | F | 31 | Very low | 30.9 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -137.4 | 87.4 | 161.2 | -87.1 | -77.2 | 0 | 0 | 0 | 108.3 | N864 V868 | N864-F866 PolarHBondContact O-N 3.26Å; F866-V868 PolarHBondContact O-N 3.1Å | ||
| 867 | G | 28.8 | Very low | 31.3 | Very low | 70 Ų | 70 | 146.4 Ų | 146.4 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -59.6 | 124.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 868 | V | 31.3 | Very low | 31.4 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 70% | 0.697 | 80% | 0.8 | S | S | * | * | trans | -126.8 | 107.7 | 164.4 | -178.7 | 0 | 0 | 0 | 0 | 106.5 | F866 F870 | F866-V868 PolarHBondContact O-N 3.1Å; V868-F870 PolarHBondContact O-N 3.41Å | ||
| 869 | E | 31.1 | Very low | 31.9 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -55.5 | 121.5 | 170.5 | -81.2 | 173.3 | 134.4 | 0 | 0 | 109.9 | D871 | E869-D871 PolarHBondContact O-N 3.32Š| ||
| 870 | F | 31.5 | Very low | 31.9 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -83.5 | 100.5 | 168.5 | -93.1 | -89 | 0 | 0 | 0 | 109 | V868 Q872 | V868-F870 PolarHBondContact O-N 3.41Å; F870-Q872 PolarHBondContact O-N 3.29Å | ||
| 871 | D | 31.6 | Very low | 32.6 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -70.2 | 107.5 | 172 | -130.2 | -11.6 | 0 | 0 | 0 | 109.5 | E869 T873 | E869-D871 PolarHBondContact O-N 3.32Å; D871-T873 PolarHBondContact O-N 3.06Å; D871-T873 VanDerWaalsContact O-N 3.13Å | ||
| 872 | Q | 32.6 | Very low | 32.7 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -72.7 | 97.2 | 178.2 | -77.1 | -179.3 | -20.7 | 0 | 0 | 110.3 | F870 | F870-Q872 PolarHBondContact O-N 3.29Š| ||
| 873 | T | 33.5 | Very low | 32.7 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -92.5 | 100 | 165.8 | 35.6 | 0 | 0 | 0 | 0 | 110.1 | D871 I875 | D871-T873 PolarHBondContact O-N 3.06Å; D871-T873 VanDerWaalsContact O-N 3.13Å; T873-I875 PolarHBondContact O-N 3.14Å | ||
| 874 | C | 31.7 | Very low | 33.1 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 118 | 172.5 | -67.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 875 | I | 32.6 | Very low | 33.2 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 121.7 | 166.1 | -59.9 | 176.9 | 0 | 0 | 0 | 107.8 | T873 | T873-I875 PolarHBondContact O-N 3.14Š|
| 876 | P | 37.8 | Very low | 33.4 | Very low | 110 Ų | 110 | 151 Ų | 151 | 71% | 0.714 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 144.2 | -170.1 | 30.9 | -33.5 | 0 | 0 | 0 | 113.1 | ||
| 877 | S | 36.4 | Very low | 33.6 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 125.8 | 173.7 | 48.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 878 | M | 32.5 | Very low | 33.9 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 89% | 0.892 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 131.9 | 161.1 | -79.1 | -80 | -176.7 | 0 | 0 | 110 | ||
| 879 | P | 38.4 | Very low | 34.1 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 76% | 0.76 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 144.2 | 177.6 | 33 | -31.1 | 0 | 0 | 0 | 111.3 | ||
| 880 | S | 31.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 122.6 | 173.4 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 881 | E | 42.1 | Very low | 34.6 | Very low | 270 Ų | 270 | 150.3 Ų | 150.3 | 100% | 1.262 | 85% | 0.849 | S | S | * | * | trans | -114.2 | 0 | 131.1 | -77.2 | -175.1 | 160.8 | 0 | 0 | 107 |
Retrieved 881 of 881 residues in 267.8 ms
(Link to these results)