| 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 | 48.7 | Very low | 74.2 | Confident | 210 Ų | 210 | 81.9 Ų | 81.9 | 100% | 1.034 | 41% | 0.405 | S | S | * | . | 0 | -89.9 | 0 | -55.1 | -177 | -172.2 | 0 | 0 | 109.6 | F3 A4 E5 | M1-F3 VanDerWaalsContact C-N 3.26Å; M1-F3 PolarHBondContact O-N 2.82Å; M1-A4 PolarHBondContact O-N 3.28Å; M1-E5 VanDerWaalsContact CB-OE1 3.26Å; M1-E5 WeakPolarHBondContact CB-OE1 3.38Å | |||
| 2 | K | 80.4 | Confident | 74.3 | Confident | 182 Ų | 182 | 75.1 Ų | 75.1 | 79% | 0.791 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 16.1 | -28.1 | 165.1 | -61.1 | -168.6 | -175.6 | 178.5 | 0 | 123.7 | E5 R6 | K2-E5 PolarHBondContact N-OE1 3.02Å; K2-R6 WeakPolarHBondContact O-CB 3.23Å |
| 3 | F | 84.7 | Confident | 73.9 | Confident | 15 Ų | 15 | 72.5 Ų | 72.5 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -41.9 | 173.8 | -177 | -106.7 | 0 | 0 | 0 | 113.7 | M1 E5 R6 L7 Y22 T213 K217 | M1-F3 VanDerWaalsContact C-N 3.26Å; M1-F3 PolarHBondContact O-N 2.82Å; F3-E5 VanDerWaalsContact C-N 3.29Å; F3-E5 PolarHBondContact O-N 2.95Å; F3-R6 CarbonylContact O-C 3.6Å; F3-R6 WeakPolarHBondContact O-CA 3.43Å; F3-R6 WeakPolarHBondContact O-CB 3.49Å; F3-R6 PolarHBondContact O-N 3.15Å; F3-L7 HydrophobicContact CE1-CB 4.25Å; F3-L7 HydrophobicContact CE1-CD2 4.26Å; F3-L7 HydrophobicContact CZ-CB 4.25Å; F3-L7 PolarHBondContact O-N 2.91Å; F3-Y22 HydrophobicContact CD1-CD1 4Å; F3-Y22 AromaticContact CD1-CD2 3.96Å; F3-Y22 HydrophobicContact CD1-CD2 3.96Å; F3-Y22 AromaticContact CD1-CE1 3.82Å; F3-Y22 HydrophobicContact CD1-CE1 3.82Å; F3-Y22 AromaticContact CD1-CE2 3.77Å; F3-Y22 HydrophobicContact CD1-CE2 3.77Å; F3-Y22 HydrophobicContact CD1-CG 4.1Å; F3-Y22 AromaticContact CD1-CZ 3.72Å; F3-Y22 HydrophobicContact CE1-CD1 4.45Å; F3-Y22 AromaticContact CE1-CD2 3.82Å; F3-Y22 HydrophobicContact CE1-CD2 3.82Å; F3-Y22 AromaticContact CE1-CE2 3.97Å; F3-Y22 HydrophobicContact CE1-CE2 3.97Å; F3-Y22 HydrophobicContact CE1-CG 4.09Å; F3-T213 HydrophobicContact CD2-CG2 4.35Å; F3-T213 HydrophobicContact CE2-CG2 3.59Å; F3-T213 HydrophobicContact CZ-CG2 3.98Å; F3-K217 HydrophobicContact CB-CD 3.79Å; F3-K217 HydrophobicContact CD1-CB 4.46Å; F3-K217 HydrophobicContact CD1-CD 3.6Å; F3-K217 HydrophobicContact CD2-CD 3.44Å; F3-K217 VanDerWaalsContact CD2-CD 3.44Å; F3-K217 HydrophobicContact CE1-CD 4.03Å; F3-K217 HydrophobicContact CE2-CD 3.88Å; F3-K217 HydrophobicContact CG-CD 3.27Å; F3-K217 HydrophobicContact CZ-CD 4.15Å |
| 4 | A | 79.1 | Confident | 73.1 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1 R6 L7 N8 Y22 D23 | M1-A4 PolarHBondContact O-N 3.28Å; A4-R6 VanDerWaalsContact C-N 3.31Å; A4-R6 PolarHBondContact O-N 3.02Å; A4-L7 PolarHBondContact O-N 2.82Å; A4-N8 WeakPolarHBondContact O-CB 3.32Å; A4-N8 PolarHBondContact O-N 3.03Å; A4-N8 PolarHBondContact O-ND2 2.89Å; A4-Y22 HydrophobicContact CB-CD1 4.21Å; A4-D23 WeakPolarHBondContact CB-OD2 3.32Å |
| 5 | E | 76 | Confident | 73.7 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.4 | -43.2 | 169 | -64 | 150.9 | -133.3 | 0 | 0 | 112.5 | M1 K2 F3 A9 | M1-E5 VanDerWaalsContact CB-OE1 3.26Å; M1-E5 WeakPolarHBondContact CB-OE1 3.38Å; K2-E5 PolarHBondContact N-OE1 3.02Å; F3-E5 VanDerWaalsContact C-N 3.29Å; F3-E5 PolarHBondContact O-N 2.95Å; E5-A9 WeakPolarHBondContact O-CB 3.36Å; E5-A9 PolarHBondContact O-N 2.97Å |
| 6 | R | 75.2 | Confident | 74.2 | Confident | 122 Ų | 122 | 69.7 Ų | 69.7 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.6 | -42.5 | -178 | -172.1 | 176.3 | -179.9 | 175.2 | -2.1 | 111.9 | K2 F3 A4 A9 H10 | K2-R6 WeakPolarHBondContact O-CB 3.23Å; F3-R6 CarbonylContact O-C 3.6Å; F3-R6 WeakPolarHBondContact O-CA 3.43Å; F3-R6 WeakPolarHBondContact O-CB 3.49Å; F3-R6 PolarHBondContact O-N 3.15Å; A4-R6 VanDerWaalsContact C-N 3.31Å; A4-R6 PolarHBondContact O-N 3.02Å; R6-A9 CarbonylContact O-C 3.53Å; R6-A9 PolarHBondContact O-N 2.89Å; R6-H10 WeakPolarHBondContact O-CB 3.41Å; R6-H10 PolarHBondContact O-N 3Å; R6-H10 PolarHBondContact O-ND1 2.83Å |
| 7 | L | 79.1 | Confident | 74.8 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -51.7 | 175.2 | -178.1 | 62.1 | 0 | 0 | 0 | 109.8 | F3 A4 A9 H10 L11 Y19 I20 Y22 L210 | F3-L7 HydrophobicContact CE1-CB 4.25Å; F3-L7 HydrophobicContact CE1-CD2 4.26Å; F3-L7 HydrophobicContact CZ-CB 4.25Å; F3-L7 PolarHBondContact O-N 2.91Å; A4-L7 PolarHBondContact O-N 2.82Å; L7-A9 PolarHBondContact O-N 3.46Å; L7-A9 VanDerWaalsContact O-N 3.12Å; L7-H10 PolarHBondContact O-N 3.3Å; L7-H10 VanDerWaalsContact O-N 3.08Å; L7-L11 WeakPolarHBondContact O-CB 3.39Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 3.1Å; L7-Y19 HydrophobicContact CD1-CD1 4.07Å; L7-I20 HydrophobicContact CD2-CG2 4.37Å; L7-Y22 HydrophobicContact CD2-CG 4.5Å; L7-L210 HydrophobicContact CD1-CB 4.16Å; L7-L210 HydrophobicContact CD1-CD2 4.32Å |
| 8 | N | 73.4 | Confident | 75.7 | Confident | 97 Ų | 97 | 70.3 Ų | 70.3 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.9 | -22.7 | 175.1 | -79.3 | -76.2 | 0 | 0 | 0 | 114.2 | A4 | A4-N8 WeakPolarHBondContact O-CB 3.32Å; A4-N8 PolarHBondContact O-N 3.03Å; A4-N8 PolarHBondContact O-ND2 2.89Å |
| 9 | A | 69.7 | Low | 76.5 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -5.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | E5 R6 L7 | E5-A9 WeakPolarHBondContact O-CB 3.36Å; E5-A9 PolarHBondContact O-N 2.97Å; R6-A9 CarbonylContact O-C 3.53Å; R6-A9 PolarHBondContact O-N 2.89Å; L7-A9 PolarHBondContact O-N 3.46Å; L7-A9 VanDerWaalsContact O-N 3.12Å |
| 10 | H | 73.3 | Confident | 77.4 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -6 | -179.2 | -66.1 | 64.2 | 0 | 0 | 0 | 113.4 | R6 L7 L210 | R6-H10 WeakPolarHBondContact O-CB 3.41Å; R6-H10 PolarHBondContact O-N 3Å; R6-H10 PolarHBondContact O-ND1 2.83Å; L7-H10 PolarHBondContact O-N 3.3Å; L7-H10 VanDerWaalsContact O-N 3.08Å; H10-L210 HydrophobicContact CB-CD1 4.02Å; H10-L210 HydrophobicContact CB-CD2 4.17Å; H10-L210 WeakPolarHBondContact O-CD1 3.5Å |
| 11 | L | 76.8 | Confident | 78 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -65.2 | 147.8 | 175.5 | 60.7 | 78.6 | 0 | 0 | 0 | 112 | L7 P13 R16 Y19 | L7-L11 WeakPolarHBondContact O-CB 3.39Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 3.1Å; L11-P13 WeakPolarHBondContact O-CD 3.45Å; L11-R16 HydrophobicContact CD1-CB 4.29Å; L11-R16 HydrophobicContact CD1-CG 4.33Å; L11-R16 HydrophobicContact CD2-CG 4.22Å; L11-Y19 HydrophobicContact CB-CD2 3.88Å; L11-Y19 HydrophobicContact CB-CE1 4.38Å; L11-Y19 HydrophobicContact CB-CE2 3.64Å; L11-Y19 HydrophobicContact CB-CG 4.38Å |
| 12 | T | 75.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -68.6 | 117.4 | 163.7 | -56.7 | 0 | 0 | 0 | 0 | 108.6 | E14 W15 R16 Y19 I713 | T12-E14 VanDerWaalsContact C-N 3.3Å; T12-E14 HydrophobicContact CG2-CB 4.28Å; T12-E14 PolarHBondContact O-N 2.84Å; T12-W15 HydrophobicContact CG2-CB 3.99Å; T12-W15 HydrophobicContact CG2-CD2 3.44Å; T12-W15 VanDerWaalsContact CG2-CD2 3.44Å; T12-W15 HydrophobicContact CG2-CE3 3.92Å; T12-W15 HydrophobicContact CG2-CG 3.46Å; T12-W15 VanDerWaalsContact CG2-CG 3.46Å; T12-W15 CarbonylContact O-C 3.55Å; T12-W15 PolarHBondContact O-N 3.09Å; T12-W15 VanDerWaalsContact O-N 3.07Å; T12-R16 PolarHBondContact O-N 2.96Å; T12-R16 VanDerWaalsContact O-N 3.15Å; T12-Y19 PolarHBondContact N-OH 3.01Å; T12-Y19 VanDerWaalsContact N-OH 3.1Å; T12-Y19 PolarHBondContact OG1-OH 3.46Å; T12-Y19 VanDerWaalsContact OG1-OH 3.11Å; T12-I713 HydrophobicContact CG2-CB 4.43Å; T12-I713 HydrophobicContact CG2-CD1 3.51Å; T12-I713 HydrophobicContact CG2-CG1 3.82Å; T12-I713 HydrophobicContact CG2-CG2 4Å | ||
| 13 | P | 68.2 | Low | 80.5 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -56 | -41.8 | -178.3 | -26.9 | 35.3 | 0 | 0 | 0 | 113.9 | L11 W15 R16 | L11-P13 WeakPolarHBondContact O-CD 3.45Å; P13-W15 PolarHBondContact O-N 3.5Å; P13-R16 VanDerWaalsContact O-CB 3.25Å; P13-R16 WeakPolarHBondContact O-CB 3.47Å; P13-R16 PolarHBondContact O-N 3.35Å |
| 14 | E | 63.3 | Low | 80.8 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -70 | -17 | -179.4 | -61.4 | 78.7 | 179 | 0 | 0 | 112.6 | T12 I713 | T12-E14 VanDerWaalsContact C-N 3.3Å; T12-E14 HydrophobicContact CG2-CB 4.28Å; T12-E14 PolarHBondContact O-N 2.84Å; E14-I713 WeakPolarHBondContact OE2-CD1 3.43Å; E14-I713 WeakPolarHBondContact OE2-CG1 3.3Å |
| 15 | W | 82.5 | Confident | 81.5 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -114 | 13.6 | 178 | -45.8 | -19.4 | 0 | 0 | 0 | 111.4 | T12 P13 T17 Q18 Y19 F72 L203 L204 Y207 | T12-W15 HydrophobicContact CG2-CB 3.99Å; T12-W15 HydrophobicContact CG2-CD2 3.44Å; T12-W15 VanDerWaalsContact CG2-CD2 3.44Å; T12-W15 HydrophobicContact CG2-CE3 3.92Å; T12-W15 HydrophobicContact CG2-CG 3.46Å; T12-W15 VanDerWaalsContact CG2-CG 3.46Å; T12-W15 CarbonylContact O-C 3.55Å; T12-W15 PolarHBondContact O-N 3.09Å; T12-W15 VanDerWaalsContact O-N 3.07Å; P13-W15 PolarHBondContact O-N 3.5Å; W15-T17 VanDerWaalsContact C-N 3.31Å; W15-T17 PolarHBondContact O-N 3.4Å; W15-Q18 HydrophobicContact CB-CB 4.39Å; W15-Q18 WeakPolarHBondContact O-CA 3.39Å; W15-Q18 VanDerWaalsContact O-CB 3.31Å; W15-Q18 WeakPolarHBondContact O-CB 3.45Å; W15-Q18 PolarHBondContact O-N 2.69Å; W15-Y19 HydrophobicContact CB-CE2 4.09Å; W15-Y19 WeakPolarHBondContact O-CD2 3.15Å; W15-Y19 PolarHBondContact O-N 3.32Å; W15-F72 HydrophobicContact CB-CE1 4.18Å; W15-F72 HydrophobicContact CB-CZ 3.9Å; W15-F72 AromaticContact CD1-CZ 3.59Å; W15-F72 AromaticContact CD2-CE1 3.8Å; W15-F72 HydrophobicContact CD2-CE1 3.8Å; W15-F72 AromaticContact CD2-CZ 3.61Å; W15-F72 HydrophobicContact CD2-CZ 3.61Å; W15-F72 AromaticContact CE2-CZ 3.92Å; W15-F72 AromaticContact CE3-CE1 3.91Å; W15-F72 HydrophobicContact CE3-CE1 3.91Å; W15-F72 HydrophobicContact CE3-CZ 4.22Å; W15-F72 AromaticContact CG-CE1 3.93Å; W15-F72 HydrophobicContact CG-CE1 3.93Å; W15-F72 HydrophobicContact CG-CE2 4.43Å; W15-F72 AromaticContact CG-CZ 3.44Å; W15-F72 HydrophobicContact CG-CZ 3.44Å; W15-F72 VanDerWaalsContact CG-CZ 3.44Å; W15-F72 AromaticContact NE1-CZ 3.9Å; W15-L203 HydrophobicContact CH2-CB 3.52Å; W15-L203 HydrophobicContact CZ2-CB 4.35Å; W15-L203 HydrophobicContact CZ3-CB 3.91Å; W15-L204 HydrophobicContact CH2-CB 4.46Å; W15-Y207 AromaticContact CE3-CD2 3.95Å; W15-Y207 HydrophobicContact CE3-CD2 3.95Å; W15-Y207 HydrophobicContact CE3-CG 4.19Å; W15-Y207 HydrophobicContact CZ3-CG 4.39Å |
| 16 | R | 80.8 | Confident | 82.3 | Confident | 96 Ų | 96 | 50.3 Ų | 50.3 | 36% | 0.362 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -50.6 | -47.3 | -172.9 | 179.8 | -174.7 | -63.9 | 134.6 | -3.6 | 112.9 | L11 T12 P13 Q18 Y19 S352 | L11-R16 HydrophobicContact CD1-CB 4.29Å; L11-R16 HydrophobicContact CD1-CG 4.33Å; L11-R16 HydrophobicContact CD2-CG 4.22Å; T12-R16 PolarHBondContact O-N 2.96Å; T12-R16 VanDerWaalsContact O-N 3.15Å; P13-R16 VanDerWaalsContact O-CB 3.25Å; P13-R16 WeakPolarHBondContact O-CB 3.47Å; P13-R16 PolarHBondContact O-N 3.35Å; R16-Q18 PolarHBondContact O-N 2.9Å; R16-Y19 PolarHBondContact O-N 3.44Å; R16-S352 PolarHBondContact NH2-O 3.02Å |
| 17 | T | 85.5 | Confident | 83.1 | Confident | 94 Ų | 94 | 49.6 Ų | 49.6 | 58% | 0.577 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -68.1 | -14 | 178.7 | 48.1 | 0 | 0 | 0 | 0 | 114 | W15 K68 | W15-T17 VanDerWaalsContact C-N 3.31Å; W15-T17 PolarHBondContact O-N 3.4Å; T17-K68 WeakPolarHBondContact O-CD 3.46Å; T17-K68 VanDerWaalsContact O-CE 3.29Å; T17-K68 WeakPolarHBondContact O-CE 3.45Å; T17-K68 PolarHBondContact O-NZ 3.23Å |
| 18 | Q | 90.1 | Very high | 83.7 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -97.5 | -9.2 | -177.4 | -50 | -61.4 | -30.5 | 0 | 0 | 112.5 | W15 R16 I69 F72 Y207 | W15-Q18 HydrophobicContact CB-CB 4.39Å; W15-Q18 WeakPolarHBondContact O-CA 3.39Å; W15-Q18 VanDerWaalsContact O-CB 3.31Å; W15-Q18 WeakPolarHBondContact O-CB 3.45Å; W15-Q18 PolarHBondContact O-N 2.69Å; R16-Q18 PolarHBondContact O-N 2.9Å; Q18-I69 WeakPolarHBondContact O-CG1 3.45Å; Q18-F72 HydrophobicContact CB-CB 4.3Å; Q18-F72 HydrophobicContact CB-CD1 4Å; Q18-F72 HydrophobicContact CB-CD2 3.98Å; Q18-F72 HydrophobicContact CB-CE1 4.32Å; Q18-F72 HydrophobicContact CB-CE2 4.31Å; Q18-F72 HydrophobicContact CB-CG 3.81Å; Q18-F72 HydrophobicContact CB-CZ 4.47Å; Q18-F72 HydrophobicContact CG-CD1 4.46Å; Q18-F72 HydrophobicContact CG-CD2 3.56Å; Q18-F72 HydrophobicContact CG-CE2 3.77Å; Q18-F72 HydrophobicContact CG-CG 3.93Å; Q18-F72 HydrophobicContact CG-CZ 4.31Å; Q18-Y207 HydrophobicContact CB-CE2 4.09Å; Q18-Y207 WeakPolarHBondContact O-CE2 3.26Å; Q18-Y207 PolarHBondContact O-OH 2.93Å |
| 19 | Y | 91.3 | Very high | 84.6 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -75.3 | 165.4 | 169.6 | -74.4 | -89.9 | 0 | 0 | 0 | 111 | L7 L11 T12 W15 R16 D21 K68 Y207 L210 N211 | L7-Y19 HydrophobicContact CD1-CD1 4.07Å; L11-Y19 HydrophobicContact CB-CD2 3.88Å; L11-Y19 HydrophobicContact CB-CE1 4.38Å; L11-Y19 HydrophobicContact CB-CE2 3.64Å; L11-Y19 HydrophobicContact CB-CG 4.38Å; T12-Y19 PolarHBondContact N-OH 3.01Å; T12-Y19 VanDerWaalsContact N-OH 3.1Å; T12-Y19 PolarHBondContact OG1-OH 3.46Å; T12-Y19 VanDerWaalsContact OG1-OH 3.11Å; W15-Y19 HydrophobicContact CB-CE2 4.09Å; W15-Y19 WeakPolarHBondContact O-CD2 3.15Å; W15-Y19 PolarHBondContact O-N 3.32Å; R16-Y19 PolarHBondContact O-N 3.44Å; Y19-D21 PolarHBondContact O-N 2.78Å; Y19-K68 VanDerWaalsContact O-CE 3.31Å; Y19-K68 WeakPolarHBondContact O-CE 3.48Å; Y19-K68 PolarHBondContact O-NZ 3.1Å; Y19-Y207 HydrophobicContact CD1-CD2 4.01Å; Y19-Y207 HydrophobicContact CD1-CE2 4.3Å; Y19-Y207 HydrophobicContact CD2-CD2 4.29Å; Y19-Y207 HydrophobicContact CD2-CE2 4.37Å; Y19-Y207 AromaticContact CE1-CD2 3.64Å; Y19-Y207 HydrophobicContact CE1-CD2 3.64Å; Y19-Y207 HydrophobicContact CE1-CE2 4.38Å; Y19-Y207 HydrophobicContact CE1-CG 4.34Å; Y19-Y207 AromaticContact CE2-CD2 3.94Å; Y19-Y207 HydrophobicContact CE2-CD2 3.94Å; Y19-Y207 HydrophobicContact CE2-CE2 4.42Å; Y19-Y207 HydrophobicContact CG-CD2 4.32Å; Y19-Y207 HydrophobicContact CG-CE2 4.29Å; Y19-Y207 AromaticContact CZ-CD2 3.59Å; Y19-L210 HydrophobicContact CD1-CB 4.37Å; Y19-L210 HydrophobicContact CE1-CB 3.97Å; Y19-L210 HydrophobicContact CE1-CD1 3.8Å; Y19-N211 WeakPolarHBondContact CA-OD1 3.3Å; Y19-N211 WeakPolarHBondContact CD1-OD1 3.31Å |
| 20 | I | 93.4 | Very high | 85.7 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -61.7 | 130.5 | 169.2 | -174.9 | 176.2 | 0 | 0 | 0 | 111.1 | L7 Y22 L25 I69 N211 F215 I218 | L7-I20 HydrophobicContact CD2-CG2 4.37Å; I20-Y22 PolarHBondContact O-N 3.38Å; I20-L25 HydrophobicContact CD1-CD1 3.88Å; I20-L25 HydrophobicContact CG1-CD1 3.74Å; I20-I69 HydrophobicContact CB-CD1 3.86Å; I20-N211 PolarHBondContact N-OD1 2.99Å; I20-F215 HydrophobicContact CD1-CB 4.48Å; I20-F215 HydrophobicContact CD1-CD1 3.63Å; I20-F215 HydrophobicContact CD1-CD2 4.19Å; I20-F215 HydrophobicContact CD1-CE1 3.75Å; I20-F215 HydrophobicContact CD1-CE2 4.31Å; I20-F215 HydrophobicContact CD1-CG 3.84Å; I20-F215 HydrophobicContact CD1-CZ 4.08Å; I20-F215 HydrophobicContact CG1-CE1 4.48Å; I20-F215 HydrophobicContact CG1-CZ 4.5Å; I20-I218 HydrophobicContact CD1-CG2 4.21Å | ||
| 21 | D | 90.5 | Very high | 86.5 | Confident | 57 Ų | 57 | 49.9 Ų | 49.9 | 31% | 0.305 | 24% | 0.236 | S | C | . | . | trans | -78.7 | 62.8 | -178.1 | -49.6 | -65 | 0 | 0 | 0 | 110.8 | Y19 D23 E24 L25 K68 | Y19-D21 PolarHBondContact O-N 2.78Å; D21-D23 PolarHBondContact O-N 3.06Å; D21-D23 VanDerWaalsContact O-N 3.1Å; D21-E24 HydrophobicContact CB-CB 4.17Å; D21-E24 WeakPolarHBondContact O-CB 3.27Å; D21-E24 PolarHBondContact O-N 2.89Å; D21-L25 PolarHBondContact O-N 2.95Å; D21-L25 VanDerWaalsContact O-N 3.09Å; D21-K68 VanDerWaalsContact CG-NZ 3.31Å; D21-K68 IonicContact OD1-NZ 2.95Å; D21-K68 PolarHBondContact OD1-NZ 3.21Å; D21-K68 IonicContact OD2-NZ 2.86Å; D21-K68 PolarHBondContact OD2-NZ 2.97Å | ||
| 22 | Y | 92.5 | Very high | 87.2 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 9% | 0.09 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.7 | -166.2 | -174 | -89.4 | 0 | 0 | 0 | 114 | F3 A4 L7 I20 K26 K217 I218 | F3-Y22 HydrophobicContact CD1-CD1 4Å; F3-Y22 AromaticContact CD1-CD2 3.96Å; F3-Y22 HydrophobicContact CD1-CD2 3.96Å; F3-Y22 AromaticContact CD1-CE1 3.82Å; F3-Y22 HydrophobicContact CD1-CE1 3.82Å; F3-Y22 AromaticContact CD1-CE2 3.77Å; F3-Y22 HydrophobicContact CD1-CE2 3.77Å; F3-Y22 HydrophobicContact CD1-CG 4.1Å; F3-Y22 AromaticContact CD1-CZ 3.72Å; F3-Y22 HydrophobicContact CE1-CD1 4.45Å; F3-Y22 AromaticContact CE1-CD2 3.82Å; F3-Y22 HydrophobicContact CE1-CD2 3.82Å; F3-Y22 AromaticContact CE1-CE2 3.97Å; F3-Y22 HydrophobicContact CE1-CE2 3.97Å; F3-Y22 HydrophobicContact CE1-CG 4.09Å; A4-Y22 HydrophobicContact CB-CD1 4.21Å; L7-Y22 HydrophobicContact CD2-CG 4.5Å; I20-Y22 PolarHBondContact O-N 3.38Å; Y22-K26 HydrophobicContact CE1-CD 4.44Å; Y22-K26 WeakPolarHBondContact O-CB 3.41Å; Y22-K26 PolarHBondContact O-N 3.2Å; Y22-K217 HydrophobicContact CE2-CB 3.79Å; Y22-K217 PolarHBondContact OH-O 2.99Å; Y22-I218 HydrophobicContact CD2-CB 4.16Å; Y22-I218 HydrophobicContact CD2-CD1 4.02Å; Y22-I218 HydrophobicContact CE2-CB 3.83Å; Y22-I218 HydrophobicContact CE2-CD1 3.74Å; Y22-I218 HydrophobicContact CE2-CG1 4.37Å |
| 23 | D | 89.8 | Confident | 87.7 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 34% | 0.342 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -27.1 | 178 | -83.9 | -51.1 | 0 | 0 | 0 | 113.4 | A4 D21 K26 E27 | A4-D23 WeakPolarHBondContact CB-OD2 3.32Å; D21-D23 PolarHBondContact O-N 3.06Å; D21-D23 VanDerWaalsContact O-N 3.1Å; D23-K26 PolarHBondContact O-NZ 3.42Å; D23-K26 WeakPolarHBondContact OD1-CE 3.46Å; D23-K26 IonicContact OD1-NZ 2.78Å; D23-K26 PolarHBondContact OD1-NZ 3.02Å; D23-E27 PolarHBondContact O-N 2.97Å; D23-E27 VanDerWaalsContact O-N 3.14Å |
| 24 | E | 90.3 | Very high | 88.7 | Confident | 113 Ų | 113 | 54.2 Ų | 54.2 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -51.4 | 177.4 | 178.5 | 179.4 | 178.1 | 0 | 0 | 111 | D21 K26 E27 H28 | D21-E24 HydrophobicContact CB-CB 4.17Å; D21-E24 WeakPolarHBondContact O-CB 3.27Å; D21-E24 PolarHBondContact O-N 2.89Å; E24-K26 PolarHBondContact O-N 3.4Å; E24-K26 VanDerWaalsContact O-N 3.11Å; E24-E27 WeakPolarHBondContact O-CA 3.11Å; E24-E27 VanDerWaalsContact O-CB 3.28Å; E24-E27 WeakPolarHBondContact O-CB 3.34Å; E24-E27 PolarHBondContact O-N 3.22Å; E24-H28 PolarHBondContact O-N 3.45Å |
| 25 | L | 93.5 | Very high | 89.7 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.5 | -30 | 169.9 | -65.7 | 172.4 | 0 | 0 | 0 | 111.8 | I20 D21 L29 F58 L61 I218 | I20-L25 HydrophobicContact CD1-CD1 3.88Å; I20-L25 HydrophobicContact CG1-CD1 3.74Å; D21-L25 PolarHBondContact O-N 2.95Å; D21-L25 VanDerWaalsContact O-N 3.09Å; L25-L29 WeakPolarHBondContact O-CG 3.45Å; L25-L29 PolarHBondContact O-N 3.1Å; L25-F58 HydrophobicContact CB-CE2 4.22Å; L25-F58 HydrophobicContact CD2-CE2 4.34Å; L25-L61 HydrophobicContact CD2-CB 3.69Å; L25-I218 HydrophobicContact CB-CD1 4.06Å; L25-I218 HydrophobicContact CB-CG1 3.82Å; L25-I218 HydrophobicContact CD1-CG1 4.49Å; L25-I218 HydrophobicContact CD1-CG2 4.4Å |
| 26 | K | 92.6 | Very high | 89.7 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.7 | -26 | 174.4 | 171.9 | -178.5 | 115.7 | -66.4 | 0 | 112.7 | Y22 D23 E24 Y30 I218 K221 | Y22-K26 HydrophobicContact CE1-CD 4.44Å; Y22-K26 WeakPolarHBondContact O-CB 3.41Å; Y22-K26 PolarHBondContact O-N 3.2Å; D23-K26 PolarHBondContact O-NZ 3.42Å; D23-K26 WeakPolarHBondContact OD1-CE 3.46Å; D23-K26 IonicContact OD1-NZ 2.78Å; D23-K26 PolarHBondContact OD1-NZ 3.02Å; E24-K26 PolarHBondContact O-N 3.4Å; E24-K26 VanDerWaalsContact O-N 3.11Å; K26-Y30 HydrophobicContact CD-CE2 4.28Å; K26-Y30 HydrophobicContact CG-CD2 4.22Å; K26-Y30 HydrophobicContact CG-CE2 3.71Å; K26-Y30 WeakPolarHBondContact O-CD2 3.49Å; K26-Y30 PolarHBondContact O-N 2.86Å; K26-I218 HydrophobicContact CB-CD1 3.93Å; K26-K221 HydrophobicContact CG-CD 4.21Å |
| 27 | E | 92.3 | Very high | 89.7 | Confident | 106 Ų | 106 | 59.1 Ų | 59.1 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75.7 | -45.8 | 175.7 | -162.9 | -176.3 | 110.1 | 0 | 0 | 111.1 | D23 E24 L29 Y30 K31 | D23-E27 PolarHBondContact O-N 2.97Å; D23-E27 VanDerWaalsContact O-N 3.14Å; E24-E27 WeakPolarHBondContact O-CA 3.11Å; E24-E27 VanDerWaalsContact O-CB 3.28Å; E24-E27 WeakPolarHBondContact O-CB 3.34Å; E24-E27 PolarHBondContact O-N 3.22Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.09Å; E27-Y30 WeakPolarHBondContact O-CA 3.27Å; E27-Y30 PolarHBondContact O-N 3.3Å; E27-K31 PolarHBondContact O-N 2.77Å; E27-K31 WeakPolarHBondContact OE1-CE 3.31Å; E27-K31 IonicContact OE1-NZ 2.78Å; E27-K31 PolarHBondContact OE1-NZ 3.28Å |
| 28 | H | 91.4 | Very high | 89.3 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.7 | -48.8 | 172.2 | -81.3 | -107.2 | 0 | 0 | 0 | 111.5 | E24 Y30 K31 Y32 E57 L61 | E24-H28 PolarHBondContact O-N 3.45Å; H28-Y30 PolarHBondContact O-N 3Å; H28-Y30 VanDerWaalsContact O-N 3.12Å; H28-K31 WeakPolarHBondContact O-CB 3.47Å; H28-K31 PolarHBondContact O-N 3.21Å; H28-Y32 HydrophobicContact CB-CE2 4.03Å; H28-Y32 VanDerWaalsContact O-CD2 3.29Å; H28-Y32 WeakPolarHBondContact O-CD2 3.09Å; H28-Y32 PolarHBondContact O-N 2.9Å; H28-E57 IonicContact CE1-OE1 2.86Å; H28-E57 PolarHBondContact CE1-OE1 3.35Å; H28-E57 IonicContact ND1-OE1 2.74Å; H28-E57 PolarHBondContact ND1-OE1 3.49Å; H28-L61 HydrophobicContact CB-CD1 4.39Å; H28-L61 WeakPolarHBondContact ND1-CD1 3.43Å |
| 29 | L | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.8 | -27.9 | 174.9 | -70.4 | 176.3 | 0 | 0 | 0 | 114.4 | L25 E27 Y32 T33 F58 I218 K221 H222 L225 | L25-L29 WeakPolarHBondContact O-CG 3.45Å; L25-L29 PolarHBondContact O-N 3.1Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.09Å; L29-Y32 HydrophobicContact CD2-CD2 4.19Å; L29-Y32 HydrophobicContact CD2-CE2 4.42Å; L29-T33 PolarHBondContact O-N 3.32Å; L29-T33 PolarHBondContact O-OG1 3.11Å; L29-F58 HydrophobicContact CD1-CE2 3.82Å; L29-F58 HydrophobicContact CD1-CZ 3.91Å; L29-F58 HydrophobicContact CD2-CD2 3.76Å; L29-F58 HydrophobicContact CD2-CE1 4.49Å; L29-F58 HydrophobicContact CD2-CE2 3.69Å; L29-F58 HydrophobicContact CD2-CG 4.21Å; L29-F58 HydrophobicContact CD2-CZ 4.07Å; L29-F58 HydrophobicContact CG-CD2 3.99Å; L29-F58 HydrophobicContact CG-CE2 3.54Å; L29-F58 HydrophobicContact CG-CZ 4.09Å; L29-I218 HydrophobicContact CD1-CD1 4.15Å; L29-I218 HydrophobicContact CD1-CG1 4.08Å; L29-K221 HydrophobicContact CD1-CB 4.2Å; L29-K221 HydrophobicContact CD1-CD 4.08Å; L29-K221 HydrophobicContact CD1-CG 4.06Å; L29-H222 HydrophobicContact CD1-CB 4.23Å; L29-H222 HydrophobicContact CD2-CB 3.9Å; L29-L225 HydrophobicContact CB-CD1 3.94Å |
| 30 | Y | 92.6 | Very high | 86.8 | Confident | 105 Ų | 105 | 64.8 Ų | 64.8 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -82.2 | -35 | 173.5 | -70.1 | -45.8 | 0 | 0 | 0 | 112.5 | K26 E27 H28 T33 Q34 K221 L225 | K26-Y30 HydrophobicContact CD-CE2 4.28Å; K26-Y30 HydrophobicContact CG-CD2 4.22Å; K26-Y30 HydrophobicContact CG-CE2 3.71Å; K26-Y30 WeakPolarHBondContact O-CD2 3.49Å; K26-Y30 PolarHBondContact O-N 2.86Å; E27-Y30 WeakPolarHBondContact O-CA 3.27Å; E27-Y30 PolarHBondContact O-N 3.3Å; H28-Y30 PolarHBondContact O-N 3Å; H28-Y30 VanDerWaalsContact O-N 3.12Å; Y30-T33 PolarHBondContact O-N 3.49Å; Y30-Q34 WeakPolarHBondContact O-CG 3.4Å; Y30-Q34 PolarHBondContact O-N 3.32Å; Y30-K221 PolarHBondContact OH-NZ 3.02Å; Y30-K221 VanDerWaalsContact OH-NZ 3.14Å; Y30-L225 HydrophobicContact CD1-CD1 4.27Å; Y30-L225 HydrophobicContact CE1-CD1 4.23Å |
| 31 | K | 91.1 | Very high | 85.2 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 38% | 0.378 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 171.6 | -68 | 170.6 | -176.6 | 162.3 | 0 | 110.6 | E27 H28 T33 Q34 V35 | E27-K31 PolarHBondContact O-N 2.77Å; E27-K31 WeakPolarHBondContact OE1-CE 3.31Å; E27-K31 IonicContact OE1-NZ 2.78Å; E27-K31 PolarHBondContact OE1-NZ 3.28Å; H28-K31 WeakPolarHBondContact O-CB 3.47Å; H28-K31 PolarHBondContact O-N 3.21Å; K31-T33 VanDerWaalsContact C-N 3.31Å; K31-T33 PolarHBondContact O-N 2.71Å; K31-Q34 PolarHBondContact O-N 2.71Å; K31-V35 WeakPolarHBondContact O-CG2 3.46Å; K31-V35 PolarHBondContact O-N 3.12Å |
| 32 | Y | 90.3 | Very high | 84 | Confident | 15 Ų | 15 | 75.4 Ų | 75.4 | 6% | 0.059 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 174.9 | -49.9 | -38.2 | 0 | 0 | 0 | 112.6 | H28 L29 V35 L36 C54 E57 F58 | H28-Y32 HydrophobicContact CB-CE2 4.03Å; H28-Y32 VanDerWaalsContact O-CD2 3.29Å; H28-Y32 WeakPolarHBondContact O-CD2 3.09Å; H28-Y32 PolarHBondContact O-N 2.9Å; L29-Y32 HydrophobicContact CD2-CD2 4.19Å; L29-Y32 HydrophobicContact CD2-CE2 4.42Å; Y32-V35 PolarHBondContact O-N 3.46Å; Y32-L36 VanDerWaalsContact O-CB 3.28Å; Y32-L36 WeakPolarHBondContact O-CB 3.1Å; Y32-L36 PolarHBondContact O-N 2.66Å; Y32-C54 HydrophobicContact CD1-CB 4.32Å; Y32-C54 HydrophobicContact CD2-CB 4.32Å; Y32-C54 HydrophobicContact CG-CB 4.18Å; Y32-E57 WeakPolarHBondContact CE1-OE2 3.42Å; Y32-E57 VanDerWaalsContact CZ-OE2 3.27Å; Y32-E57 PolarHBondContact OH-OE1 3.28Å; Y32-E57 PolarHBondContact OH-OE2 3.23Å; Y32-F58 HydrophobicContact CE2-CB 4.07Å; Y32-F58 HydrophobicContact CE2-CD2 4.26Å |
| 33 | T | 87.2 | Confident | 83.2 | Confident | 22 Ų | 22 | 76.9 Ų | 76.9 | 14% | 0.135 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 178.2 | -52 | 0 | 0 | 0 | 0 | 111.2 | L29 Y30 K31 L36 E37 | L29-T33 PolarHBondContact O-N 3.32Å; L29-T33 PolarHBondContact O-OG1 3.11Å; Y30-T33 PolarHBondContact O-N 3.49Å; K31-T33 VanDerWaalsContact C-N 3.31Å; K31-T33 PolarHBondContact O-N 2.71Å; T33-L36 PolarHBondContact O-N 2.67Å; T33-E37 WeakPolarHBondContact O-CB 3.33Å; T33-E37 WeakPolarHBondContact O-CG 3.33Å; T33-E37 PolarHBondContact O-N 2.78Å |
| 34 | Q | 87.8 | Confident | 82.7 | Confident | 121 Ų | 121 | 82.3 Ų | 82.3 | 57% | 0.565 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 177.4 | -73.4 | 174.6 | -46.9 | 0 | 0 | 111.7 | Y30 K31 L36 E37 T38 | Y30-Q34 WeakPolarHBondContact O-CG 3.4Å; Y30-Q34 PolarHBondContact O-N 3.32Å; K31-Q34 PolarHBondContact O-N 2.71Å; Q34-L36 VanDerWaalsContact C-N 3.35Å; Q34-L36 PolarHBondContact O-N 2.98Å; Q34-E37 PolarHBondContact O-N 3.47Å; Q34-E37 VanDerWaalsContact O-N 3.17Å; Q34-T38 WeakPolarHBondContact O-CG2 3.36Å; Q34-T38 PolarHBondContact O-N 3.42Å; Q34-T38 PolarHBondContact O-OG1 2.68Å |
| 35 | V | 84.6 | Confident | 82.4 | Confident | 59 Ų | 59 | 84.3 Ų | 84.3 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | K31 Y32 E37 T38 L39 F50 | K31-V35 WeakPolarHBondContact O-CG2 3.46Å; K31-V35 PolarHBondContact O-N 3.12Å; Y32-V35 PolarHBondContact O-N 3.46Å; V35-E37 VanDerWaalsContact C-N 3.31Å; V35-E37 PolarHBondContact O-N 3.04Å; V35-T38 WeakPolarHBondContact CA-OG1 3.28Å; V35-T38 PolarHBondContact O-N 3.05Å; V35-T38 PolarHBondContact O-OG1 3.45Å; V35-L39 HydrophobicContact CG1-CD1 3.51Å; V35-L39 VanDerWaalsContact O-CD1 3.3Å; V35-L39 WeakPolarHBondContact O-CD1 3.48Å; V35-L39 WeakPolarHBondContact O-CG 3.38Å; V35-L39 PolarHBondContact O-N 2.88Å; V35-F50 HydrophobicContact CB-CZ 3.93Å; V35-F50 HydrophobicContact CG1-CE1 4.25Å; V35-F50 HydrophobicContact CG1-CE2 3.75Å; V35-F50 HydrophobicContact CG1-CZ 3.38Å |
| 36 | L | 82.7 | Confident | 81.9 | Confident | 61 Ų | 61 | 88.6 Ų | 88.6 | 32% | 0.319 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59 | -36.3 | 175.1 | -163.5 | 81.3 | 0 | 0 | 0 | 113.3 | Y32 T33 Q34 F50 L51 | Y32-L36 VanDerWaalsContact O-CB 3.28Å; Y32-L36 WeakPolarHBondContact O-CB 3.1Å; Y32-L36 PolarHBondContact O-N 2.66Å; T33-L36 PolarHBondContact O-N 2.67Å; Q34-L36 VanDerWaalsContact C-N 3.35Å; Q34-L36 PolarHBondContact O-N 2.98Å; L36-F50 HydrophobicContact CB-CE1 4.31Å; L36-F50 HydrophobicContact CD1-CD1 3.86Å; L36-F50 HydrophobicContact CD1-CE1 3.89Å; L36-L51 HydrophobicContact CD1-CD2 4.23Å |
| 37 | E | 80.3 | Confident | 81.4 | Confident | 155 Ų | 155 | 88.4 Ų | 88.4 | 72% | 0.724 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -73.3 | -23.5 | 175.7 | -75.6 | 172.5 | -178.3 | 0 | 0 | 113.2 | T33 Q34 V35 | T33-E37 WeakPolarHBondContact O-CB 3.33Å; T33-E37 WeakPolarHBondContact O-CG 3.33Å; T33-E37 PolarHBondContact O-N 2.78Å; Q34-E37 PolarHBondContact O-N 3.47Å; Q34-E37 VanDerWaalsContact O-N 3.17Å; V35-E37 VanDerWaalsContact C-N 3.31Å; V35-E37 PolarHBondContact O-N 3.04Å |
| 38 | T | 78 | Confident | 81.1 | Confident | 101 Ų | 101 | 89.2 Ų | 89.2 | 62% | 0.62 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -91.5 | -4 | -177.5 | 54 | 0 | 0 | 0 | 0 | 115.9 | Q34 V35 P40 | Q34-T38 WeakPolarHBondContact O-CG2 3.36Å; Q34-T38 PolarHBondContact O-N 3.42Å; Q34-T38 PolarHBondContact O-OG1 2.68Å; V35-T38 WeakPolarHBondContact CA-OG1 3.28Å; V35-T38 PolarHBondContact O-N 3.05Å; V35-T38 PolarHBondContact O-OG1 3.45Å; T38-P40 WeakPolarHBondContact O-CD 3.44Å |
| 39 | L | 67.7 | Low | 81 | Confident | 70 Ų | 70 | 90.9 Ų | 90.9 | 37% | 0.366 | 45% | 0.452 | S | S | . | . | trans | -107.5 | 98.1 | -169.1 | -73.8 | 162.6 | 0 | 0 | 0 | 112.6 | V35 F42 | V35-L39 HydrophobicContact CG1-CD1 3.51Å; V35-L39 VanDerWaalsContact O-CD1 3.3Å; V35-L39 WeakPolarHBondContact O-CD1 3.48Å; V35-L39 WeakPolarHBondContact O-CG 3.38Å; V35-L39 PolarHBondContact O-N 2.88Å; L39-F42 HydrophobicContact CB-CD2 4.12Å; L39-F42 HydrophobicContact CB-CE2 3.85Å; L39-F42 HydrophobicContact CB-CZ 4.3Å; L39-F42 HydrophobicContact CD1-CE2 3.51Å; L39-F42 HydrophobicContact CD1-CZ 3.7Å; L39-F42 HydrophobicContact CD2-CZ 4.19Å; L39-F42 HydrophobicContact CG-CE2 4.15Å; L39-F42 HydrophobicContact CG-CZ 4.28Å | ||
| 40 | P | 61.5 | Low | 80.7 | Confident | 104 Ų | 104 | 92.7 Ų | 92.7 | 68% | 0.675 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 140 | 177.8 | 33.9 | -36 | 0 | 0 | 0 | 111.6 | T38 | T38-P40 WeakPolarHBondContact O-CD 3.44Š|
| 41 | F | 60.2 | Low | 80.6 | Confident | 212 Ų | 212 | 88.8 Ų | 88.8 | 93% | 0.93 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 35.8 | 172.3 | -60.6 | -79.6 | 0 | 0 | 0 | 117.3 | ||
| 42 | F | 65.2 | Low | 80.6 | Confident | 72 Ų | 72 | 87.6 Ų | 87.6 | 32% | 0.316 | 44% | 0.444 | S | S | . | . | trans | -63 | 141.3 | 153.2 | -78.1 | -32.4 | 0 | 0 | 0 | 111 | L39 E46 T47 F50 | L39-F42 HydrophobicContact CB-CD2 4.12Å; L39-F42 HydrophobicContact CB-CE2 3.85Å; L39-F42 HydrophobicContact CB-CZ 4.3Å; L39-F42 HydrophobicContact CD1-CE2 3.51Å; L39-F42 HydrophobicContact CD1-CZ 3.7Å; L39-F42 HydrophobicContact CD2-CZ 4.19Å; L39-F42 HydrophobicContact CG-CE2 4.15Å; L39-F42 HydrophobicContact CG-CZ 4.28Å; F42-E46 HydrophobicContact CB-CB 4.05Å; F42-E46 HydrophobicContact CD1-CB 3.7Å; F42-E46 HydrophobicContact CD1-CG 4.42Å; F42-E46 HydrophobicContact CE1-CB 4.3Å; F42-E46 HydrophobicContact CG-CB 3.98Å; F42-T47 VanDerWaalsContact CB-OG1 3.3Å; F42-T47 WeakPolarHBondContact CB-OG1 3.41Å; F42-F50 HydrophobicContact CE2-CB 4.4Å; F42-F50 HydrophobicContact CE2-CG 4.45Å | ||
| 43 | S | 75.2 | Confident | 80.7 | Confident | 53 Ų | 53 | 92.5 Ų | 92.5 | 37% | 0.371 | 47% | 0.468 | S | S | . | . | trans | -64.3 | 165.3 | 159.4 | 63.8 | 0 | 0 | 0 | 0 | 111.4 | E45 E46 T47 | S43-E45 PolarHBondContact O-N 3.31Å; S43-E46 WeakPolarHBondContact CB-OE2 3.12Å; S43-E46 PolarHBondContact N-OE2 3.31Å; S43-E46 PolarHBondContact O-N 3.37Å; S43-E46 WeakPolarHBondContact OG-CG 3.38Å; S43-E46 PolarHBondContact OG-N 3.13Å; S43-E46 VanDerWaalsContact OG-N 3.11Å; S43-E46 PolarHBondContact OG-OE2 2.86Å; S43-T47 WeakPolarHBondContact O-CB 3.27Å; S43-T47 PolarHBondContact O-N 3.14Å; S43-T47 PolarHBondContact O-OG1 3.47Å | ||
| 44 | E | 79.3 | Confident | 80.9 | Confident | 179 Ų | 179 | 91.8 Ų | 91.8 | 84% | 0.836 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.2 | -31.3 | 173.4 | -170.5 | 173.1 | -178 | 0 | 0 | 111.8 | K48 | E44-K48 VanDerWaalsContact O-CB 3.24Å; E44-K48 WeakPolarHBondContact O-CB 3.3Å; E44-K48 PolarHBondContact O-N 2.88Å |
| 45 | E | 84.1 | Confident | 81.2 | Confident | 155 Ų | 155 | 86.5 Ų | 86.5 | 72% | 0.724 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -76.7 | -41.4 | 179.9 | -168.3 | 159.2 | -137.4 | 0 | 0 | 112.6 | S43 K48 T49 | S43-E45 PolarHBondContact O-N 3.31Å; E45-K48 PolarHBondContact O-N 2.9Å; E45-T49 WeakPolarHBondContact O-CB 3.23Å; E45-T49 PolarHBondContact O-N 3.01Å; E45-T49 PolarHBondContact O-OG1 3.31Å |
| 46 | E | 81.8 | Confident | 81.6 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 171.2 | -70.9 | 158.9 | 125.3 | 0 | 0 | 111.4 | F42 S43 K48 T49 F50 | F42-E46 HydrophobicContact CB-CB 4.05Å; F42-E46 HydrophobicContact CD1-CB 3.7Å; F42-E46 HydrophobicContact CD1-CG 4.42Å; F42-E46 HydrophobicContact CE1-CB 4.3Å; F42-E46 HydrophobicContact CG-CB 3.98Å; S43-E46 WeakPolarHBondContact CB-OE2 3.12Å; S43-E46 PolarHBondContact N-OE2 3.31Å; S43-E46 PolarHBondContact O-N 3.37Å; S43-E46 WeakPolarHBondContact OG-CG 3.38Å; S43-E46 PolarHBondContact OG-N 3.13Å; S43-E46 VanDerWaalsContact OG-N 3.11Å; S43-E46 PolarHBondContact OG-OE2 2.86Å; E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 2.7Å; E46-T49 PolarHBondContact O-N 3.49Å; E46-F50 WeakPolarHBondContact O-CB 3.35Å; E46-F50 PolarHBondContact O-N 3.04Å |
| 47 | T | 82.8 | Confident | 82.1 | Confident | 46 Ų | 46 | 91.9 Ų | 91.9 | 28% | 0.282 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 176.2 | -55.1 | 0 | 0 | 0 | 0 | 111 | F42 S43 L51 | F42-T47 VanDerWaalsContact CB-OG1 3.3Å; F42-T47 WeakPolarHBondContact CB-OG1 3.41Å; S43-T47 WeakPolarHBondContact O-CB 3.27Å; S43-T47 PolarHBondContact O-N 3.14Å; S43-T47 PolarHBondContact O-OG1 3.47Å; T47-L51 HydrophobicContact CG2-CD1 4.2Å; T47-L51 WeakPolarHBondContact O-CB 3.2Å; T47-L51 VanDerWaalsContact O-CG 3.26Å; T47-L51 WeakPolarHBondContact O-CG 3.24Å; T47-L51 PolarHBondContact O-N 2.87Å; T47-L51 VanDerWaalsContact O-N 3.1Å |
| 48 | K | 86.5 | Confident | 82.8 | Confident | 123 Ų | 123 | 84.5 Ų | 84.5 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.7 | -178.3 | -167.3 | 166.9 | -156 | 0 | 111.4 | E44 E45 E46 L51 D52 | E44-K48 VanDerWaalsContact O-CB 3.24Å; E44-K48 WeakPolarHBondContact O-CB 3.3Å; E44-K48 PolarHBondContact O-N 2.88Å; E45-K48 PolarHBondContact O-N 2.9Å; E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 2.7Å; K48-L51 CarbonylContact O-C 3.58Å; K48-L51 PolarHBondContact O-N 3.12Å; K48-L51 VanDerWaalsContact O-N 3.17Å; K48-D52 WeakPolarHBondContact CE-OD2 3.09Å; K48-D52 WeakPolarHBondContact O-CB 3.36Å; K48-D52 VanDerWaalsContact O-CG 3.28Å; K48-D52 PolarHBondContact O-N 3.27Å |
| 49 | T | 88.4 | Confident | 83.7 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 43% | 0.429 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.2 | -48.2 | -179.3 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | E45 E46 L51 D52 E53 | E45-T49 WeakPolarHBondContact O-CB 3.23Å; E45-T49 PolarHBondContact O-N 3.01Å; E45-T49 PolarHBondContact O-OG1 3.31Å; E46-T49 PolarHBondContact O-N 3.49Å; T49-L51 VanDerWaalsContact C-N 3.31Å; T49-L51 PolarHBondContact O-N 3.26Å; T49-D52 PolarHBondContact O-N 3.41Å; T49-D52 VanDerWaalsContact O-N 3.12Å; T49-E53 WeakPolarHBondContact O-CG 3.4Å; T49-E53 PolarHBondContact O-N 3.36Å |
| 50 | F | 88 | Confident | 85 | Confident | 37 Ų | 37 | 82.1 Ų | 82.1 | 16% | 0.162 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 174.8 | 175.2 | -104.5 | 0 | 0 | 0 | 113.1 | V35 L36 F42 E46 C54 | V35-F50 HydrophobicContact CB-CZ 3.93Å; V35-F50 HydrophobicContact CG1-CE1 4.25Å; V35-F50 HydrophobicContact CG1-CE2 3.75Å; V35-F50 HydrophobicContact CG1-CZ 3.38Å; L36-F50 HydrophobicContact CB-CE1 4.31Å; L36-F50 HydrophobicContact CD1-CD1 3.86Å; L36-F50 HydrophobicContact CD1-CE1 3.89Å; F42-F50 HydrophobicContact CE2-CB 4.4Å; F42-F50 HydrophobicContact CE2-CG 4.45Å; E46-F50 WeakPolarHBondContact O-CB 3.35Å; E46-F50 PolarHBondContact O-N 3.04Å; F50-C54 WeakPolarHBondContact CZ-SG 3.2Å; F50-C54 WeakPolarHBondContact O-CB 3.35Å; F50-C54 PolarHBondContact O-N 2.85Å; F50-C54 PolarHBondContact O-SG 3.48Å |
| 51 | L | 90.3 | Very high | 86.6 | Confident | 24 Ų | 24 | 79.4 Ų | 79.4 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.1 | -32.4 | 175.2 | -73.4 | 172.3 | 0 | 0 | 0 | 113.1 | L36 T47 K48 T49 D55 L226 | L36-L51 HydrophobicContact CD1-CD2 4.23Å; T47-L51 HydrophobicContact CG2-CD1 4.2Å; T47-L51 WeakPolarHBondContact O-CB 3.2Å; T47-L51 VanDerWaalsContact O-CG 3.26Å; T47-L51 WeakPolarHBondContact O-CG 3.24Å; T47-L51 PolarHBondContact O-N 2.87Å; T47-L51 VanDerWaalsContact O-N 3.1Å; K48-L51 CarbonylContact O-C 3.58Å; K48-L51 PolarHBondContact O-N 3.12Å; K48-L51 VanDerWaalsContact O-N 3.17Å; T49-L51 VanDerWaalsContact C-N 3.31Å; T49-L51 PolarHBondContact O-N 3.26Å; L51-D55 WeakPolarHBondContact O-CB 3.35Å; L51-D55 PolarHBondContact O-N 2.89Å; L51-L226 HydrophobicContact CD2-CB 4.19Å; L51-L226 HydrophobicContact CD2-CD2 4.08Å; L51-L226 HydrophobicContact CD2-CG 4.48Å |
| 52 | D | 91.4 | Very high | 88.3 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71 | -36.8 | 174.7 | -69 | -17.2 | 0 | 0 | 0 | 110.6 | K48 T49 D55 E56 R228 | K48-D52 WeakPolarHBondContact CE-OD2 3.09Å; K48-D52 WeakPolarHBondContact O-CB 3.36Å; K48-D52 VanDerWaalsContact O-CG 3.28Å; K48-D52 PolarHBondContact O-N 3.27Å; T49-D52 PolarHBondContact O-N 3.41Å; T49-D52 VanDerWaalsContact O-N 3.12Å; D52-D55 PolarHBondContact O-N 3.24Å; D52-E56 PolarHBondContact O-N 3.15Å; D52-R228 IonicContact OD1-CZ 2.92Å; D52-R228 IonicContact OD1-NH1 3.51Å; D52-R228 PolarHBondContact OD1-NH1 3.11Å; D52-R228 IonicContact OD1-NH2 2.83Å; D52-R228 PolarHBondContact OD1-NH2 2.83Å |
| 53 | E | 91.3 | Very high | 89.7 | Confident | 118 Ų | 118 | 70.3 Ų | 70.3 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 170 | -71.5 | 173.5 | -179.3 | 0 | 0 | 112.6 | T49 D55 E56 E57 | T49-E53 WeakPolarHBondContact O-CG 3.4Å; T49-E53 PolarHBondContact O-N 3.36Å; E53-D55 VanDerWaalsContact C-N 3.34Å; E53-D55 PolarHBondContact O-N 3.43Å; E53-E56 PolarHBondContact O-N 3Å; E53-E57 PolarHBondContact O-N 2.95Å |
| 54 | C | 91.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 70.9 Ų | 70.9 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 175.9 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | Y32 F50 F58 L226 | Y32-C54 HydrophobicContact CD1-CB 4.32Å; Y32-C54 HydrophobicContact CD2-CB 4.32Å; Y32-C54 HydrophobicContact CG-CB 4.18Å; F50-C54 WeakPolarHBondContact CZ-SG 3.2Å; F50-C54 WeakPolarHBondContact O-CB 3.35Å; F50-C54 PolarHBondContact O-N 2.85Å; F50-C54 PolarHBondContact O-SG 3.48Å; C54-F58 WeakPolarHBondContact O-CB 3.45Å; C54-F58 PolarHBondContact O-N 3.48Å; C54-F58 VanDerWaalsContact O-N 3.08Å; C54-L226 HydrophobicContact CB-CD1 4.31Å |
| 55 | D | 93.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 172 | -91.4 | 33.4 | 0 | 0 | 0 | 110.3 | L51 D52 E53 F58 F59 H222 R228 T230 | L51-D55 WeakPolarHBondContact O-CB 3.35Å; L51-D55 PolarHBondContact O-N 2.89Å; D52-D55 PolarHBondContact O-N 3.24Å; E53-D55 VanDerWaalsContact C-N 3.34Å; E53-D55 PolarHBondContact O-N 3.43Å; D55-F58 PolarHBondContact O-N 2.98Å; D55-F59 HydrophobicContact CB-CD2 4.12Å; D55-F59 HydrophobicContact CB-CE2 3.8Å; D55-F59 WeakPolarHBondContact O-CB 3.23Å; D55-F59 WeakPolarHBondContact O-CD2 3.23Å; D55-F59 VanDerWaalsContact O-CG 3.32Å; D55-F59 WeakPolarHBondContact O-CG 3.46Å; D55-F59 PolarHBondContact O-N 3.3Å; D55-H222 IonicContact OD1-CE1 2.72Å; D55-H222 PolarHBondContact OD1-CE1 2.82Å; D55-H222 IonicContact OD1-NE2 3.43Å; D55-H222 PolarHBondContact OD1-NE2 2.96Å; D55-R228 VanDerWaalsContact CG-NE 3.25Å; D55-R228 VanDerWaalsContact CG-NH2 3.29Å; D55-R228 IonicContact OD1-CZ 3.47Å; D55-R228 IonicContact OD1-NE 2.76Å; D55-R228 PolarHBondContact OD1-NE 2.83Å; D55-R228 IonicContact OD1-NH2 3.12Å; D55-R228 IonicContact OD2-CZ 3.85Å; D55-R228 VanDerWaalsContact OD2-CZ 3.28Å; D55-R228 IonicContact OD2-NE 3.98Å; D55-R228 PolarHBondContact OD2-NE 3.1Å; D55-R228 IonicContact OD2-NH2 2.68Å; D55-R228 PolarHBondContact OD2-NH2 2.95Å; D55-T230 WeakPolarHBondContact OD2-CB 3.33Å; D55-T230 VanDerWaalsContact OD2-CG2 3.3Å; D55-T230 WeakPolarHBondContact OD2-CG2 3.47Å; D55-T230 PolarHBondContact OD2-OG1 2.68Å |
| 56 | E | 93.5 | Very high | 91.9 | Very high | 151 Ų | 151 | 55.7 Ų | 55.7 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.4 | -50.5 | -179.4 | -174.2 | 172 | 174.2 | 0 | 0 | 112.9 | D52 E53 F58 F59 N60 | D52-E56 PolarHBondContact O-N 3.15Å; E53-E56 PolarHBondContact O-N 3Å; E56-F58 VanDerWaalsContact C-N 3.34Å; E56-F58 PolarHBondContact O-N 3.04Å; E56-F59 PolarHBondContact O-N 2.9Å; E56-N60 WeakPolarHBondContact O-CB 3.31Å; E56-N60 PolarHBondContact O-N 2.83Å |
| 57 | E | 93.5 | Very high | 92.6 | Very high | 83 Ų | 83 | 56.8 Ų | 56.8 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 177.2 | -165 | -148.6 | 151.2 | 0 | 0 | 110.7 | H28 Y32 E53 F59 N60 L61 | H28-E57 IonicContact CE1-OE1 2.86Å; H28-E57 PolarHBondContact CE1-OE1 3.35Å; H28-E57 IonicContact ND1-OE1 2.74Å; H28-E57 PolarHBondContact ND1-OE1 3.49Å; Y32-E57 WeakPolarHBondContact CE1-OE2 3.42Å; Y32-E57 VanDerWaalsContact CZ-OE2 3.27Å; Y32-E57 PolarHBondContact OH-OE1 3.28Å; Y32-E57 PolarHBondContact OH-OE2 3.23Å; E53-E57 PolarHBondContact O-N 2.95Å; E57-F59 PolarHBondContact O-N 2.89Å; E57-N60 PolarHBondContact O-N 3.4Å; E57-L61 HydrophobicContact CG-CD1 4.47Å; E57-L61 WeakPolarHBondContact O-CG 3.49Å; E57-L61 PolarHBondContact O-N 3.34Å |
| 58 | F | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | -178.4 | -175.4 | -101.3 | 0 | 0 | 0 | 113 | L25 L29 Y32 C54 D55 E56 L61 C62 I218 L219 H222 | L25-F58 HydrophobicContact CB-CE2 4.22Å; L25-F58 HydrophobicContact CD2-CE2 4.34Å; L29-F58 HydrophobicContact CD1-CE2 3.82Å; L29-F58 HydrophobicContact CD1-CZ 3.91Å; L29-F58 HydrophobicContact CD2-CD2 3.76Å; L29-F58 HydrophobicContact CD2-CE1 4.49Å; L29-F58 HydrophobicContact CD2-CE2 3.69Å; L29-F58 HydrophobicContact CD2-CG 4.21Å; L29-F58 HydrophobicContact CD2-CZ 4.07Å; L29-F58 HydrophobicContact CG-CD2 3.99Å; L29-F58 HydrophobicContact CG-CE2 3.54Å; L29-F58 HydrophobicContact CG-CZ 4.09Å; Y32-F58 HydrophobicContact CE2-CB 4.07Å; Y32-F58 HydrophobicContact CE2-CD2 4.26Å; C54-F58 WeakPolarHBondContact O-CB 3.45Å; C54-F58 PolarHBondContact O-N 3.48Å; C54-F58 VanDerWaalsContact O-N 3.08Å; D55-F58 PolarHBondContact O-N 2.98Å; E56-F58 VanDerWaalsContact C-N 3.34Å; E56-F58 PolarHBondContact O-N 3.04Å; F58-L61 PolarHBondContact O-N 3.09Å; F58-C62 WeakPolarHBondContact CE1-SG 3.49Å; F58-C62 WeakPolarHBondContact O-CB 3.11Å; F58-C62 PolarHBondContact O-N 3.43Å; F58-C62 PolarHBondContact O-SG 3.28Å; F58-I218 HydrophobicContact CE2-CG1 4.4Å; F58-I218 HydrophobicContact CZ-CG1 3.94Å; F58-I218 HydrophobicContact CZ-CG2 4.26Å; F58-L219 HydrophobicContact CE1-CD2 4.17Å; F58-H222 HydrophobicContact CD1-CB 4.4Å; F58-H222 AromaticContact CD1-CD2 3.15Å; F58-H222 WeakPolarHBondContact CD1-CD2 3.24Å; F58-H222 AromaticContact CD1-CG 3.97Å; F58-H222 AromaticContact CD1-NE2 3.73Å; F58-H222 HydrophobicContact CE1-CB 3.84Å; F58-H222 AromaticContact CE1-CD2 3.51Å; F58-H222 AromaticContact CE1-CG 3.89Å; F58-H222 AromaticContact CG-CD2 3.72Å; F58-H222 HydrophobicContact CZ-CB 4.25Å |
| 59 | F | 95.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.4 | -31.8 | 176.7 | -67.1 | -47.4 | 0 | 0 | 0 | 112.5 | D55 E56 E57 C62 E63 L219 H222 W234 | D55-F59 HydrophobicContact CB-CD2 4.12Å; D55-F59 HydrophobicContact CB-CE2 3.8Å; D55-F59 WeakPolarHBondContact O-CB 3.23Å; D55-F59 WeakPolarHBondContact O-CD2 3.23Å; D55-F59 VanDerWaalsContact O-CG 3.32Å; D55-F59 WeakPolarHBondContact O-CG 3.46Å; D55-F59 PolarHBondContact O-N 3.3Å; E56-F59 PolarHBondContact O-N 2.9Å; E57-F59 PolarHBondContact O-N 2.89Å; F59-C62 CarbonylContact O-C 3.55Å; F59-C62 PolarHBondContact O-N 3.5Å; F59-E63 PolarHBondContact O-N 3.15Å; F59-L219 HydrophobicContact CD1-CD2 4.41Å; F59-L219 HydrophobicContact CE1-CD2 3.83Å; F59-H222 AromaticContact CZ-CE1 3.7Å; F59-H222 AromaticContact CZ-NE2 3.9Å; F59-W234 HydrophobicContact CD1-CB 4.01Å; F59-W234 AromaticContact CD1-CD1 3.61Å; F59-W234 AromaticContact CD1-CD2 3.77Å; F59-W234 HydrophobicContact CD1-CD2 3.77Å; F59-W234 HydrophobicContact CD1-CE3 4.42Å; F59-W234 AromaticContact CD1-CG 3.54Å; F59-W234 HydrophobicContact CD1-CG 3.54Å; F59-W234 AromaticContact CD1-NE1 3.89Å; F59-W234 HydrophobicContact CE1-CB 3.69Å; F59-W234 HydrophobicContact CE1-CD2 4.25Å; F59-W234 AromaticContact CE1-CG 3.77Å; F59-W234 HydrophobicContact CE1-CG 3.77Å; F59-W234 AromaticContact CG-CD1 3.75Å; F59-W234 HydrophobicContact CG-CG 4.16Å; F59-W234 AromaticContact CG-NE1 3.93Å; F59-W234 HydrophobicContact CZ-CB 4.17Å |
| 60 | N | 94.9 | Very high | 93.8 | Very high | 89 Ų | 89 | 50.6 Ų | 50.6 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 169.9 | -174.8 | 0.4 | 0 | 0 | 0 | 111.1 | E56 E57 C62 E63 N64 | E56-N60 WeakPolarHBondContact O-CB 3.31Å; E56-N60 PolarHBondContact O-N 2.83Å; E57-N60 PolarHBondContact O-N 3.4Å; N60-C62 VanDerWaalsContact C-N 3.32Å; N60-C62 PolarHBondContact O-N 3.18Å; N60-E63 PolarHBondContact O-N 2.99Å; N60-N64 PolarHBondContact O-N 3.35Å; N60-N64 PolarHBondContact O-ND2 3.46Å; N60-N64 PolarHBondContact OD1-ND2 3.01Å |
| 61 | L | 94.7 | Very high | 94.1 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 173 | -67.3 | 170.4 | 0 | 0 | 0 | 112.1 | L25 H28 E57 F58 A65 | L25-L61 HydrophobicContact CD2-CB 3.69Å; H28-L61 HydrophobicContact CB-CD1 4.39Å; H28-L61 WeakPolarHBondContact ND1-CD1 3.43Å; E57-L61 HydrophobicContact CG-CD1 4.47Å; E57-L61 WeakPolarHBondContact O-CG 3.49Å; E57-L61 PolarHBondContact O-N 3.34Å; F58-L61 PolarHBondContact O-N 3.09Å; L61-A65 WeakPolarHBondContact O-CB 3.34Å; L61-A65 PolarHBondContact O-N 3.48Å |
| 62 | C | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 175 | -70.8 | 0 | 0 | 0 | 0 | 113.2 | F58 F59 N60 L66 W234 | F58-C62 WeakPolarHBondContact CE1-SG 3.49Å; F58-C62 WeakPolarHBondContact O-CB 3.11Å; F58-C62 PolarHBondContact O-N 3.43Å; F58-C62 PolarHBondContact O-SG 3.28Å; F59-C62 CarbonylContact O-C 3.55Å; F59-C62 PolarHBondContact O-N 3.5Å; N60-C62 VanDerWaalsContact C-N 3.32Å; N60-C62 PolarHBondContact O-N 3.18Å; C62-L66 VanDerWaalsContact O-CB 3.3Å; C62-L66 WeakPolarHBondContact O-CB 3.37Å; C62-L66 PolarHBondContact O-N 3.13Å; C62-W234 HydrophobicContact CB-CH2 3.53Å; C62-W234 HydrophobicContact CB-CZ2 4.01Å; C62-W234 HydrophobicContact CB-CZ3 3.81Å |
| 63 | E | 95.6 | Very high | 94.3 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.2 | -42.7 | 176.4 | -158 | -154.8 | 127.6 | 0 | 0 | 111.3 | F59 N60 A65 L66 R67 W234 | F59-E63 PolarHBondContact O-N 3.15Å; N60-E63 PolarHBondContact O-N 2.99Å; E63-A65 VanDerWaalsContact C-N 3.35Å; E63-A65 PolarHBondContact O-N 3.41Å; E63-L66 WeakPolarHBondContact O-CB 3.25Å; E63-L66 PolarHBondContact O-N 3.27Å; E63-L66 VanDerWaalsContact O-N 3.14Å; E63-R67 WeakPolarHBondContact O-CB 3.46Å; E63-R67 PolarHBondContact O-N 3.12Å; E63-R67 IonicContact OE1-CZ 2.74Å; E63-R67 IonicContact OE1-NE 2.94Å; E63-R67 IonicContact OE1-NH2 3.03Å; E63-R67 PolarHBondContact OE1-NH2 3.42Å; E63-W234 HydrophobicContact CB-CZ2 4.29Å |
| 64 | N | 94.4 | Very high | 94.4 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 35% | 0.353 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.7 | -69.3 | -56.6 | 0 | 0 | 0 | 111.6 | N60 L66 R67 K68 | N60-N64 PolarHBondContact O-N 3.35Å; N60-N64 PolarHBondContact O-ND2 3.46Å; N60-N64 PolarHBondContact OD1-ND2 3.01Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 3.37Å; N64-R67 PolarHBondContact O-N 2.93Å; N64-R67 PolarHBondContact OD1-NH1 3.15Å; N64-K68 WeakPolarHBondContact O-CB 3.24Å; N64-K68 PolarHBondContact O-N 2.96Å; N64-K68 VanDerWaalsContact O-N 3.08Å |
| 65 | A | 94.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L61 E63 I69 F215 | L61-A65 WeakPolarHBondContact O-CB 3.34Å; L61-A65 PolarHBondContact O-N 3.48Å; E63-A65 VanDerWaalsContact C-N 3.35Å; E63-A65 PolarHBondContact O-N 3.41Å; A65-I69 VanDerWaalsContact O-CD1 3.26Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 VanDerWaalsContact O-CG1 3.29Å; A65-I69 WeakPolarHBondContact O-CG1 3.4Å; A65-I69 PolarHBondContact O-N 3.14Å; A65-F215 HydrophobicContact CB-CE1 4.45Å; A65-F215 HydrophobicContact CB-CZ 4.28Å |
| 66 | L | 96.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.8 | -47.1 | 177.5 | 178 | 61.8 | 0 | 0 | 0 | 111.6 | C62 E63 N64 K68 I69 E70 F215 W234 V238 A242 F244 | C62-L66 VanDerWaalsContact O-CB 3.3Å; C62-L66 WeakPolarHBondContact O-CB 3.37Å; C62-L66 PolarHBondContact O-N 3.13Å; E63-L66 WeakPolarHBondContact O-CB 3.25Å; E63-L66 PolarHBondContact O-N 3.27Å; E63-L66 VanDerWaalsContact O-N 3.14Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 3.37Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 2.58Å; L66-I69 CarbonylContact O-C 3.51Å; L66-I69 WeakPolarHBondContact O-CA 3.41Å; L66-I69 WeakPolarHBondContact O-CB 3.16Å; L66-I69 PolarHBondContact O-N 3.34Å; L66-E70 HydrophobicContact CD1-CG 4.02Å; L66-E70 HydrophobicContact CG-CG 4.29Å; L66-E70 PolarHBondContact O-N 3.4Å; L66-F215 HydrophobicContact CB-CE1 4.38Å; L66-F215 HydrophobicContact CB-CE2 4.46Å; L66-F215 HydrophobicContact CB-CZ 3.79Å; L66-F215 HydrophobicContact CD1-CE2 4Å; L66-F215 HydrophobicContact CD1-CZ 4.18Å; L66-W234 HydrophobicContact CD2-CH2 4.26Å; L66-V238 HydrophobicContact CD2-CG1 3.43Å; L66-V238 VanDerWaalsContact CD2-CG1 3.43Å; L66-A242 HydrophobicContact CD1-CB 4.06Å; L66-F244 HydrophobicContact CD1-CD1 3.75Å; L66-F244 HydrophobicContact CD1-CE1 3.44Å; L66-F244 VanDerWaalsContact CD1-CE1 3.44Å; L66-F244 HydrophobicContact CD1-CZ 4.5Å |
| 67 | R | 95.1 | Very high | 94.1 | Very high | 121 Ų | 121 | 45.2 Ų | 45.2 | 46% | 0.457 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 178.5 | -162.1 | -173.5 | -59.3 | 137.7 | -0.5 | 111.1 | E63 N64 I69 V71 | E63-R67 WeakPolarHBondContact O-CB 3.46Å; E63-R67 PolarHBondContact O-N 3.12Å; E63-R67 IonicContact OE1-CZ 2.74Å; E63-R67 IonicContact OE1-NE 2.94Å; E63-R67 IonicContact OE1-NH2 3.03Å; E63-R67 PolarHBondContact OE1-NH2 3.42Å; N64-R67 PolarHBondContact O-N 2.93Å; N64-R67 PolarHBondContact OD1-NH1 3.15Å; R67-I69 PolarHBondContact O-N 3.19Å; R67-V71 WeakPolarHBondContact O-CB 3.4Å; R67-V71 VanDerWaalsContact O-CG2 3.28Å; R67-V71 WeakPolarHBondContact O-CG2 3.36Å; R67-V71 PolarHBondContact O-N 2.97Å |
| 68 | K | 94.9 | Very high | 93.9 | Very high | 53 Ų | 53 | 43 Ų | 43 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.6 | -48.7 | 171.3 | -174.7 | -179.1 | 72.5 | 166.9 | 0 | 111.7 | T17 Y19 D21 N64 L66 F72 | T17-K68 WeakPolarHBondContact O-CD 3.46Å; T17-K68 VanDerWaalsContact O-CE 3.29Å; T17-K68 WeakPolarHBondContact O-CE 3.45Å; T17-K68 PolarHBondContact O-NZ 3.23Å; Y19-K68 VanDerWaalsContact O-CE 3.31Å; Y19-K68 WeakPolarHBondContact O-CE 3.48Å; Y19-K68 PolarHBondContact O-NZ 3.1Å; D21-K68 VanDerWaalsContact CG-NZ 3.31Å; D21-K68 IonicContact OD1-NZ 2.95Å; D21-K68 PolarHBondContact OD1-NZ 3.21Å; D21-K68 IonicContact OD2-NZ 2.86Å; D21-K68 PolarHBondContact OD2-NZ 2.97Å; N64-K68 WeakPolarHBondContact O-CB 3.24Å; N64-K68 PolarHBondContact O-N 2.96Å; N64-K68 VanDerWaalsContact O-N 3.08Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 2.58Å; K68-F72 WeakPolarHBondContact O-CB 3Å; K68-F72 PolarHBondContact O-N 2.84Å; K68-F72 VanDerWaalsContact O-N 3.15Å |
| 69 | I | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69 | -40.2 | -177.3 | -71.2 | 160.4 | 0 | 0 | 0 | 112.5 | Q18 I20 A65 L66 R67 F73 Y207 N211 F215 F244 | Q18-I69 WeakPolarHBondContact O-CG1 3.45Å; I20-I69 HydrophobicContact CB-CD1 3.86Å; A65-I69 VanDerWaalsContact O-CD1 3.26Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 VanDerWaalsContact O-CG1 3.29Å; A65-I69 WeakPolarHBondContact O-CG1 3.4Å; A65-I69 PolarHBondContact O-N 3.14Å; L66-I69 CarbonylContact O-C 3.51Å; L66-I69 WeakPolarHBondContact O-CA 3.41Å; L66-I69 WeakPolarHBondContact O-CB 3.16Å; L66-I69 PolarHBondContact O-N 3.34Å; R67-I69 PolarHBondContact O-N 3.19Å; I69-F73 VanDerWaalsContact O-CB 3.25Å; I69-F73 WeakPolarHBondContact O-CB 3.45Å; I69-F73 PolarHBondContact O-N 2.96Å; I69-Y207 WeakPolarHBondContact CA-OH 3.38Å; I69-Y207 HydrophobicContact CG2-CE1 4.06Å; I69-N211 HydrophobicContact CD1-CB 4.1Å; I69-N211 HydrophobicContact CG2-CB 4.12Å; I69-F215 HydrophobicContact CD1-CE2 3.55Å; I69-F215 HydrophobicContact CD1-CZ 3.86Å; I69-F244 HydrophobicContact CG2-CB 4.3Å; I69-F244 HydrophobicContact CG2-CD1 4.13Å; I69-F244 HydrophobicContact CG2-CD2 3.77Å; I69-F244 HydrophobicContact CG2-CE1 4.48Å; I69-F244 HydrophobicContact CG2-CE2 4.15Å; I69-F244 HydrophobicContact CG2-CG 3.77Å; I69-F244 HydrophobicContact CG2-CZ 4.49Å |
| 70 | E | 94.1 | Very high | 93 | Very high | 56 Ų | 56 | 44 Ų | 44 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69 | -42.5 | 178.1 | -69.7 | -151.8 | 123.2 | 0 | 0 | 112.9 | L66 S74 A242 H243 F244 | L66-E70 HydrophobicContact CD1-CG 4.02Å; L66-E70 HydrophobicContact CG-CG 4.29Å; L66-E70 PolarHBondContact O-N 3.4Å; E70-S74 WeakPolarHBondContact O-CB 3.21Å; E70-S74 PolarHBondContact O-N 2.9Å; E70-S74 PolarHBondContact O-OG 3.47Å; E70-A242 WeakPolarHBondContact OE1-CA 3.35Å; E70-A242 WeakPolarHBondContact OE1-CB 3.42Å; E70-H243 WeakPolarHBondContact OE1-CB 3.26Å; E70-H243 PolarHBondContact OE1-N 3.4Å; E70-F244 HydrophobicContact CG-CB 4.38Å; E70-F244 HydrophobicContact CG-CD1 4.06Å |
| 71 | V | 93.3 | Very high | 92.9 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 57% | 0.57 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.9 | -50.1 | 176.2 | 169.3 | 0 | 0 | 0 | 0 | 110 | R67 S74 E75 | R67-V71 WeakPolarHBondContact O-CB 3.4Å; R67-V71 VanDerWaalsContact O-CG2 3.28Å; R67-V71 WeakPolarHBondContact O-CG2 3.36Å; R67-V71 PolarHBondContact O-N 2.97Å; V71-S74 PolarHBondContact O-N 3.3Å; V71-E75 PolarHBondContact O-N 3.16Å |
| 72 | F | 93 | Very high | 92.5 | Very high | 19 Ų | 19 | 49 Ų | 49 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 179.4 | -178.5 | -96.3 | 0 | 0 | 0 | 112.5 | W15 Q18 K68 S74 E75 K76 Y207 | W15-F72 HydrophobicContact CB-CE1 4.18Å; W15-F72 HydrophobicContact CB-CZ 3.9Å; W15-F72 AromaticContact CD1-CZ 3.59Å; W15-F72 AromaticContact CD2-CE1 3.8Å; W15-F72 HydrophobicContact CD2-CE1 3.8Å; W15-F72 AromaticContact CD2-CZ 3.61Å; W15-F72 HydrophobicContact CD2-CZ 3.61Å; W15-F72 AromaticContact CE2-CZ 3.92Å; W15-F72 AromaticContact CE3-CE1 3.91Å; W15-F72 HydrophobicContact CE3-CE1 3.91Å; W15-F72 HydrophobicContact CE3-CZ 4.22Å; W15-F72 AromaticContact CG-CE1 3.93Å; W15-F72 HydrophobicContact CG-CE1 3.93Å; W15-F72 HydrophobicContact CG-CE2 4.43Å; W15-F72 AromaticContact CG-CZ 3.44Å; W15-F72 HydrophobicContact CG-CZ 3.44Å; W15-F72 VanDerWaalsContact CG-CZ 3.44Å; W15-F72 AromaticContact NE1-CZ 3.9Å; Q18-F72 HydrophobicContact CB-CB 4.3Å; Q18-F72 HydrophobicContact CB-CD1 4Å; Q18-F72 HydrophobicContact CB-CD2 3.98Å; Q18-F72 HydrophobicContact CB-CE1 4.32Å; Q18-F72 HydrophobicContact CB-CE2 4.31Å; Q18-F72 HydrophobicContact CB-CG 3.81Å; Q18-F72 HydrophobicContact CB-CZ 4.47Å; Q18-F72 HydrophobicContact CG-CD1 4.46Å; Q18-F72 HydrophobicContact CG-CD2 3.56Å; Q18-F72 HydrophobicContact CG-CE2 3.77Å; Q18-F72 HydrophobicContact CG-CG 3.93Å; Q18-F72 HydrophobicContact CG-CZ 4.31Å; K68-F72 WeakPolarHBondContact O-CB 3Å; K68-F72 PolarHBondContact O-N 2.84Å; K68-F72 VanDerWaalsContact O-N 3.15Å; F72-S74 VanDerWaalsContact C-N 3.34Å; F72-S74 PolarHBondContact O-N 3.5Å; F72-E75 PolarHBondContact O-N 3.04Å; F72-K76 HydrophobicContact CD1-CG 4.09Å; F72-K76 HydrophobicContact CD2-CG 4.43Å; F72-K76 HydrophobicContact CE1-CD 4.41Å; F72-K76 HydrophobicContact CE1-CG 3.64Å; F72-K76 HydrophobicContact CE2-CD 4.19Å; F72-K76 VanDerWaalsContact CE2-CE 3.42Å; F72-K76 HydrophobicContact CE2-CG 4.01Å; F72-K76 HydrophobicContact CG-CG 4.48Å; F72-K76 HydrophobicContact CZ-CD 3.88Å; F72-K76 HydrophobicContact CZ-CG 3.59Å; F72-K76 WeakPolarHBondContact O-CB 3.43Å; F72-K76 VanDerWaalsContact O-CG 3.29Å; F72-K76 WeakPolarHBondContact O-CG 3.23Å; F72-K76 PolarHBondContact O-N 3.32Å; F72-Y207 HydrophobicContact CD1-CD1 4.49Å; F72-Y207 HydrophobicContact CD1-CD2 4.48Å; F72-Y207 AromaticContact CD1-CE1 3.81Å; F72-Y207 HydrophobicContact CD1-CE1 3.81Å; F72-Y207 AromaticContact CD1-CE2 3.8Å; F72-Y207 HydrophobicContact CD1-CE2 3.8Å; F72-Y207 AromaticContact CD1-CZ 3.41Å; F72-Y207 VanDerWaalsContact CD1-CZ 3.41Å; F72-Y207 WeakPolarHBondContact CD1-OH 3.04Å; F72-Y207 HydrophobicContact CE1-CD2 4.28Å; F72-Y207 HydrophobicContact CE1-CE1 4.39Å; F72-Y207 AromaticContact CE1-CE2 3.96Å; F72-Y207 HydrophobicContact CE1-CE2 3.96Å |
| 73 | F | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 176.8 | -178 | -90.2 | 0 | 0 | 0 | 111.9 | I69 K76 I77 L204 Y207 Q208 F244 V250 | I69-F73 VanDerWaalsContact O-CB 3.25Å; I69-F73 WeakPolarHBondContact O-CB 3.45Å; I69-F73 PolarHBondContact O-N 2.96Å; F73-K76 PolarHBondContact O-N 2.91Å; F73-I77 PolarHBondContact O-N 3.17Å; F73-L204 HydrophobicContact CD2-CD1 3.61Å; F73-L204 HydrophobicContact CD2-CG 4.11Å; F73-L204 HydrophobicContact CE2-CD1 3.98Å; F73-L204 HydrophobicContact CE2-CG 3.94Å; F73-L204 HydrophobicContact CG-CD1 4.44Å; F73-Y207 HydrophobicContact CB-CE1 4.27Å; F73-Y207 HydrophobicContact CD2-CD1 4.34Å; F73-Q208 HydrophobicContact CD2-CB 4.5Å; F73-Q208 HydrophobicContact CE2-CB 4.01Å; F73-F244 HydrophobicContact CB-CB 3.87Å; F73-F244 HydrophobicContact CD1-CB 4.01Å; F73-F244 HydrophobicContact CD2-CB 4.26Å; F73-F244 HydrophobicContact CG-CB 3.78Å; F73-V250 HydrophobicContact CE2-CG2 3.9Å; F73-V250 HydrophobicContact CZ-CG2 3.66Å |
| 74 | S | 93.5 | Very high | 91.7 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.2 | -34.6 | -177.9 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | E70 V71 F72 I77 A78 H243 | E70-S74 WeakPolarHBondContact O-CB 3.21Å; E70-S74 PolarHBondContact O-N 2.9Å; E70-S74 PolarHBondContact O-OG 3.47Å; V71-S74 PolarHBondContact O-N 3.3Å; F72-S74 VanDerWaalsContact C-N 3.34Å; F72-S74 PolarHBondContact O-N 3.5Å; S74-I77 WeakPolarHBondContact O-CG2 3.28Å; S74-A78 WeakPolarHBondContact O-CB 3.34Å; S74-A78 PolarHBondContact O-N 3.01Å; S74-H243 PolarHBondContact OG-ND1 3.02Å |
| 75 | E | 91 | Very high | 91.5 | Very high | 103 Ų | 103 | 49.5 Ų | 49.5 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66 | -46.2 | 169.5 | -170.4 | -173.5 | -179.1 | 0 | 0 | 111.3 | V71 F72 I77 A78 E79 | V71-E75 PolarHBondContact O-N 3.16Å; F72-E75 PolarHBondContact O-N 3.04Å; E75-I77 PolarHBondContact O-N 2.91Å; E75-A78 PolarHBondContact O-N 3.04Å; E75-E79 WeakPolarHBondContact O-CB 3.47Å; E75-E79 PolarHBondContact O-N 2.82Å |
| 76 | K | 89 | Confident | 91 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.9 | -34.8 | -177.9 | -68.5 | -64.4 | 141 | -155.6 | 0 | 113.3 | F72 F73 E79 A80 L204 | F72-K76 HydrophobicContact CD1-CG 4.09Å; F72-K76 HydrophobicContact CD2-CG 4.43Å; F72-K76 HydrophobicContact CE1-CD 4.41Å; F72-K76 HydrophobicContact CE1-CG 3.64Å; F72-K76 HydrophobicContact CE2-CD 4.19Å; F72-K76 VanDerWaalsContact CE2-CE 3.42Å; F72-K76 HydrophobicContact CE2-CG 4.01Å; F72-K76 HydrophobicContact CG-CG 4.48Å; F72-K76 HydrophobicContact CZ-CD 3.88Å; F72-K76 HydrophobicContact CZ-CG 3.59Å; F72-K76 WeakPolarHBondContact O-CB 3.43Å; F72-K76 VanDerWaalsContact O-CG 3.29Å; F72-K76 WeakPolarHBondContact O-CG 3.23Å; F72-K76 PolarHBondContact O-N 3.32Å; F73-K76 PolarHBondContact O-N 2.91Å; K76-E79 IonicContact NZ-OE2 3.38Å; K76-E79 PolarHBondContact NZ-OE2 3.35Å; K76-A80 VanDerWaalsContact O-CB 3.28Å; K76-A80 WeakPolarHBondContact O-CB 3.25Å; K76-A80 PolarHBondContact O-N 3.31Å; K76-L204 HydrophobicContact CB-CD1 3.73Å; K76-L204 HydrophobicContact CB-CD2 3.93Å; K76-L204 HydrophobicContact CB-CG 4.48Å; K76-L204 HydrophobicContact CG-CD1 4.42Å |
| 77 | I | 91.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.4 | -37 | 175.2 | -162.6 | 54.5 | 0 | 0 | 0 | 111.8 | F73 S74 E75 A80 N81 L204 E249 V250 L253 | F73-I77 PolarHBondContact O-N 3.17Å; S74-I77 WeakPolarHBondContact O-CG2 3.28Å; E75-I77 PolarHBondContact O-N 2.91Å; I77-A80 HydrophobicContact CD1-CB 4.4Å; I77-A80 PolarHBondContact O-N 3.02Å; I77-N81 WeakPolarHBondContact O-CB 3.37Å; I77-N81 PolarHBondContact O-N 3.39Å; I77-N81 PolarHBondContact O-ND2 3.43Å; I77-N81 VanDerWaalsContact O-ND2 3.15Å; I77-L204 HydrophobicContact CB-CD2 4.28Å; I77-L204 HydrophobicContact CD1-CD2 4.19Å; I77-E249 HydrophobicContact CD1-CB 3.72Å; I77-E249 HydrophobicContact CG1-CB 3.65Å; I77-E249 HydrophobicContact CG1-CG 4.36Å; I77-E249 WeakPolarHBondContact CG1-OE2 3.19Å; I77-V250 HydrophobicContact CD1-CG2 3.84Å; I77-L253 HydrophobicContact CD1-CD1 3.66Å |
| 78 | A | 89.5 | Confident | 90.1 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 31% | 0.314 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S74 E75 R82 | S74-A78 WeakPolarHBondContact O-CB 3.34Å; S74-A78 PolarHBondContact O-N 3.01Å; E75-A78 PolarHBondContact O-N 3.04Å; A78-R82 VanDerWaalsContact O-CG 3.3Å; A78-R82 WeakPolarHBondContact O-CG 3.4Å; A78-R82 PolarHBondContact O-N 2.96Å |
| 79 | E | 85.4 | Confident | 89.6 | Confident | 46 Ų | 46 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 171.1 | -170.8 | -166 | 150.6 | 0 | 0 | 111.2 | E75 K76 R82 K83 | E75-E79 WeakPolarHBondContact O-CB 3.47Å; E75-E79 PolarHBondContact O-N 2.82Å; K76-E79 IonicContact NZ-OE2 3.38Å; K76-E79 PolarHBondContact NZ-OE2 3.35Å; E79-R82 PolarHBondContact O-N 3.16Å; E79-K83 HydrophobicContact CG-CD 4.29Å; E79-K83 WeakPolarHBondContact O-CB 3.43Å; E79-K83 WeakPolarHBondContact O-CG 3.37Å; E79-K83 PolarHBondContact O-N 3.3Å; E79-K83 VanDerWaalsContact OE1-CE 3.3Å; E79-K83 WeakPolarHBondContact OE1-CE 3.47Å; E79-K83 IonicContact OE1-NZ 3.09Å; E79-K83 PolarHBondContact OE1-NZ 2.93Å |
| 80 | A | 87.7 | Confident | 89.1 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K76 I77 R82 K83 F84 F197 L201 L253 | K76-A80 VanDerWaalsContact O-CB 3.28Å; K76-A80 WeakPolarHBondContact O-CB 3.25Å; K76-A80 PolarHBondContact O-N 3.31Å; I77-A80 HydrophobicContact CD1-CB 4.4Å; I77-A80 PolarHBondContact O-N 3.02Å; A80-R82 PolarHBondContact O-N 2.75Å; A80-K83 PolarHBondContact O-N 3.17Å; A80-F84 WeakPolarHBondContact O-CB 3.39Å; A80-F84 PolarHBondContact O-N 3.36Å; A80-F197 HydrophobicContact CB-CE2 3.98Å; A80-F197 HydrophobicContact CB-CZ 4.21Å; A80-F197 VanDerWaalsContact O-CE2 3.3Å; A80-F197 WeakPolarHBondContact O-CE2 3.48Å; A80-F197 VanDerWaalsContact O-CZ 3.24Å; A80-F197 WeakPolarHBondContact O-CZ 3.49Å; A80-L201 HydrophobicContact CB-CD2 3.86Å; A80-L253 HydrophobicContact CB-CD1 4.3Å |
| 81 | N | 92.1 | Very high | 88.7 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.7 | -47.6 | 175 | -80.8 | -46.3 | 0 | 0 | 0 | 111.6 | I77 K83 F84 T85 E249 | I77-N81 WeakPolarHBondContact O-CB 3.37Å; I77-N81 PolarHBondContact O-N 3.39Å; I77-N81 PolarHBondContact O-ND2 3.43Å; I77-N81 VanDerWaalsContact O-ND2 3.15Å; N81-K83 PolarHBondContact O-N 3.28Å; N81-F84 WeakPolarHBondContact O-CB 3.47Å; N81-F84 PolarHBondContact O-N 3.26Å; N81-T85 PolarHBondContact O-N 3.05Å; N81-T85 VanDerWaalsContact O-N 3.11Å; N81-T85 PolarHBondContact O-OG1 2.97Å; N81-E249 PolarHBondContact ND2-OE2 2.77Å |
| 82 | R | 86.2 | Confident | 88.5 | Confident | 185 Ų | 185 | 50.9 Ų | 50.9 | 70% | 0.698 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 176.6 | -69.1 | 169.2 | -176.5 | 173.3 | 3.1 | 112.9 | A78 E79 A80 F84 T86 | A78-R82 VanDerWaalsContact O-CG 3.3Å; A78-R82 WeakPolarHBondContact O-CG 3.4Å; A78-R82 PolarHBondContact O-N 2.96Å; E79-R82 PolarHBondContact O-N 3.16Å; A80-R82 PolarHBondContact O-N 2.75Å; R82-F84 VanDerWaalsContact C-N 3.35Å; R82-T86 PolarHBondContact O-N 3.14Å; R82-T86 PolarHBondContact O-OG1 3.44Å |
| 83 | K | 82.5 | Confident | 88 | Confident | 71 Ų | 71 | 55 Ų | 55 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 175.8 | -79.1 | 175.4 | 169.7 | 177.2 | 0 | 111.6 | E79 A80 N81 T86 L87 F197 | E79-K83 HydrophobicContact CG-CD 4.29Å; E79-K83 WeakPolarHBondContact O-CB 3.43Å; E79-K83 WeakPolarHBondContact O-CG 3.37Å; E79-K83 PolarHBondContact O-N 3.3Å; E79-K83 VanDerWaalsContact OE1-CE 3.3Å; E79-K83 WeakPolarHBondContact OE1-CE 3.47Å; E79-K83 IonicContact OE1-NZ 3.09Å; E79-K83 PolarHBondContact OE1-NZ 2.93Å; A80-K83 PolarHBondContact O-N 3.17Å; N81-K83 PolarHBondContact O-N 3.28Å; K83-T86 PolarHBondContact O-N 2.82Å; K83-L87 WeakPolarHBondContact O-CB 3.24Å; K83-L87 VanDerWaalsContact O-CG 3.28Å; K83-L87 WeakPolarHBondContact O-CG 3.39Å; K83-L87 PolarHBondContact O-N 2.99Å; K83-F197 HydrophobicContact CB-CD2 3.95Å; K83-F197 HydrophobicContact CB-CE2 3.8Å |
| 84 | F | 91.5 | Very high | 87.4 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -53.1 | 178.1 | -175.6 | -121.9 | 0 | 0 | 0 | 111.8 | A80 N81 R82 T86 L87 V88 F197 L253 E256 V257 I260 | A80-F84 WeakPolarHBondContact O-CB 3.39Å; A80-F84 PolarHBondContact O-N 3.36Å; N81-F84 WeakPolarHBondContact O-CB 3.47Å; N81-F84 PolarHBondContact O-N 3.26Å; R82-F84 VanDerWaalsContact C-N 3.35Å; F84-T86 VanDerWaalsContact C-N 3.32Å; F84-T86 PolarHBondContact O-N 3.29Å; F84-L87 PolarHBondContact O-N 2.8Å; F84-L87 VanDerWaalsContact O-N 3.1Å; F84-V88 HydrophobicContact CD2-CG2 4.14Å; F84-V88 HydrophobicContact CE1-CG2 4.12Å; F84-V88 HydrophobicContact CE2-CG2 3.72Å; F84-V88 HydrophobicContact CZ-CG2 3.7Å; F84-V88 WeakPolarHBondContact O-CG2 3.41Å; F84-V88 PolarHBondContact O-N 3.03Å; F84-F197 HydrophobicContact CB-CE1 3.7Å; F84-F197 HydrophobicContact CB-CZ 3.66Å; F84-F197 HydrophobicContact CD2-CD1 4.22Å; F84-F197 AromaticContact CD2-CE1 3.58Å; F84-F197 HydrophobicContact CD2-CE1 3.58Å; F84-F197 HydrophobicContact CD2-CZ 4.41Å; F84-F197 HydrophobicContact CG-CE1 4.01Å; F84-F197 HydrophobicContact CG-CZ 4.41Å; F84-L253 HydrophobicContact CB-CD2 4.01Å; F84-L253 HydrophobicContact CD1-CD2 3.63Å; F84-L253 HydrophobicContact CD2-CD2 4.5Å; F84-L253 HydrophobicContact CE1-CD2 4.24Å; F84-L253 HydrophobicContact CG-CD2 3.79Å; F84-E256 VanDerWaalsContact CE1-CD 3.45Å; F84-E256 HydrophobicContact CE1-CG 4.33Å; F84-E256 WeakPolarHBondContact CE1-OE1 3.43Å; F84-E256 WeakPolarHBondContact CE1-OE2 3.27Å; F84-E256 HydrophobicContact CZ-CB 4.11Å; F84-E256 HydrophobicContact CZ-CG 3.75Å; F84-E256 WeakPolarHBondContact CZ-OE1 3.4Å; F84-V257 HydrophobicContact CD2-CG2 3.89Å; F84-V257 HydrophobicContact CE2-CG2 3.72Å; F84-I260 HydrophobicContact CE2-CD1 3.86Å; F84-I260 HydrophobicContact CZ-CD1 3.62Å |
| 85 | T | 90.3 | Very high | 86.9 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -52.6 | -50.4 | 175.7 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | N81 L87 V88 D89 | N81-T85 PolarHBondContact O-N 3.05Å; N81-T85 VanDerWaalsContact O-N 3.11Å; N81-T85 PolarHBondContact O-OG1 2.97Å; T85-L87 VanDerWaalsContact C-N 3.3Å; T85-L87 PolarHBondContact O-N 3.33Å; T85-V88 PolarHBondContact O-N 2.87Å; T85-V88 VanDerWaalsContact O-N 3.16Å; T85-D89 PolarHBondContact O-N 3.43Å |
| 86 | T | 84.2 | Confident | 86.4 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.4 | -41.1 | 179 | -50.7 | 0 | 0 | 0 | 0 | 112.8 | R82 K83 F84 E90 | R82-T86 PolarHBondContact O-N 3.14Å; R82-T86 PolarHBondContact O-OG1 3.44Å; K83-T86 PolarHBondContact O-N 2.82Å; F84-T86 VanDerWaalsContact C-N 3.32Å; F84-T86 PolarHBondContact O-N 3.29Å; T86-E90 WeakPolarHBondContact O-CB 3.39Å; T86-E90 PolarHBondContact O-N 2.8Å |
| 87 | L | 84.7 | Confident | 85.8 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.5 | -34.2 | -180 | -71.9 | 172.9 | 0 | 0 | 0 | 112.8 | K83 F84 T85 L91 A193 F194 F197 | K83-L87 WeakPolarHBondContact O-CB 3.24Å; K83-L87 VanDerWaalsContact O-CG 3.28Å; K83-L87 WeakPolarHBondContact O-CG 3.39Å; K83-L87 PolarHBondContact O-N 2.99Å; F84-L87 PolarHBondContact O-N 2.8Å; F84-L87 VanDerWaalsContact O-N 3.1Å; T85-L87 VanDerWaalsContact C-N 3.3Å; T85-L87 PolarHBondContact O-N 3.33Å; L87-L91 VanDerWaalsContact O-CB 3.24Å; L87-L91 WeakPolarHBondContact O-CB 3.48Å; L87-L91 PolarHBondContact O-N 2.73Å; L87-L91 VanDerWaalsContact O-N 3.09Å; L87-A193 HydrophobicContact CD2-CB 3.65Å; L87-F194 HydrophobicContact CB-CD2 4.36Å; L87-F194 HydrophobicContact CB-CE1 4.28Å; L87-F194 HydrophobicContact CB-CE2 3.77Å; L87-F194 HydrophobicContact CB-CZ 3.73Å; L87-F194 VanDerWaalsContact O-CE2 3.32Å; L87-F194 WeakPolarHBondContact O-CE2 3.17Å; L87-F194 WeakPolarHBondContact O-CZ 3.37Å; L87-F197 HydrophobicContact CD1-CB 3.54Å; L87-F197 HydrophobicContact CD1-CD1 4.15Å; L87-F197 HydrophobicContact CD1-CD2 4.37Å; L87-F197 HydrophobicContact CD1-CG 3.74Å |
| 88 | V | 89.1 | Confident | 84.8 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 17% | 0.17 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 172.2 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | F84 T85 E90 L91 D92 I260 | F84-V88 HydrophobicContact CD2-CG2 4.14Å; F84-V88 HydrophobicContact CE1-CG2 4.12Å; F84-V88 HydrophobicContact CE2-CG2 3.72Å; F84-V88 HydrophobicContact CZ-CG2 3.7Å; F84-V88 WeakPolarHBondContact O-CG2 3.41Å; F84-V88 PolarHBondContact O-N 3.03Å; T85-V88 PolarHBondContact O-N 2.87Å; T85-V88 VanDerWaalsContact O-N 3.16Å; V88-E90 PolarHBondContact O-N 3.32Å; V88-L91 WeakPolarHBondContact O-CB 3.38Å; V88-L91 PolarHBondContact O-N 2.69Å; V88-L91 VanDerWaalsContact O-N 3.16Å; V88-D92 PolarHBondContact O-N 3.05Å; V88-I260 HydrophobicContact CG2-CD1 4.07Å |
| 89 | D | 84.6 | Confident | 83.6 | Confident | 90 Ų | 90 | 64 Ų | 64 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 176.3 | -70 | -26.8 | 0 | 0 | 0 | 111.6 | T85 L91 D92 N93 | T85-D89 PolarHBondContact O-N 3.43Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 3.06Å; D89-D92 PolarHBondContact O-N 2.85Å; D89-N93 VanDerWaalsContact O-CB 3.23Å; D89-N93 WeakPolarHBondContact O-CB 3.39Å; D89-N93 PolarHBondContact O-N 2.81Å; D89-N93 PolarHBondContact O-ND2 3.37Å |
| 90 | E | 83.7 | Confident | 82.3 | Confident | 94 Ų | 94 | 68.5 Ų | 68.5 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -32.2 | 178.3 | -88.7 | -144.4 | -144.8 | 0 | 0 | 113.8 | T86 V88 Y94 K186 L190 | T86-E90 WeakPolarHBondContact O-CB 3.39Å; T86-E90 PolarHBondContact O-N 2.8Å; V88-E90 PolarHBondContact O-N 3.32Å; E90-Y94 WeakPolarHBondContact O-CB 3.29Å; E90-Y94 PolarHBondContact O-N 2.89Å; E90-K186 PolarHBondContact O-NZ 2.94Å; E90-K186 IonicContact OE2-NZ 3.27Å; E90-L190 HydrophobicContact CB-CD2 3.98Å |
| 91 | L | 85.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -75.4 | -46 | 178.1 | 175.4 | 57.6 | 0 | 0 | 0 | 111.6 | L87 V88 D89 Y94 I95 L190 F194 I260 K264 L265 | L87-L91 VanDerWaalsContact O-CB 3.24Å; L87-L91 WeakPolarHBondContact O-CB 3.48Å; L87-L91 PolarHBondContact O-N 2.73Å; L87-L91 VanDerWaalsContact O-N 3.09Å; V88-L91 WeakPolarHBondContact O-CB 3.38Å; V88-L91 PolarHBondContact O-N 2.69Å; V88-L91 VanDerWaalsContact O-N 3.16Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 3.06Å; L91-Y94 CarbonylContact O-C 3.6Å; L91-Y94 WeakPolarHBondContact O-CA 3.41Å; L91-Y94 VanDerWaalsContact O-CB 3.3Å; L91-Y94 WeakPolarHBondContact O-CB 3.5Å; L91-Y94 PolarHBondContact O-N 3.48Å; L91-I95 HydrophobicContact CD1-CD1 3.97Å; L91-I95 HydrophobicContact CD1-CG1 4.29Å; L91-I95 HydrophobicContact CG-CD1 3.99Å; L91-I95 WeakPolarHBondContact O-CG1 3.35Å; L91-I95 PolarHBondContact O-N 2.9Å; L91-L190 HydrophobicContact CB-CD2 4.36Å; L91-L190 HydrophobicContact CD1-CD1 4.15Å; L91-F194 HydrophobicContact CB-CE2 4Å; L91-F194 HydrophobicContact CB-CZ 4.23Å; L91-F194 HydrophobicContact CD2-CE2 3.85Å; L91-F194 HydrophobicContact CD2-CZ 3.7Å; L91-F194 HydrophobicContact CG-CE2 4.48Å; L91-I260 HydrophobicContact CD2-CG2 3.56Å; L91-K264 HydrophobicContact CD2-CB 3.96Å; L91-K264 HydrophobicContact CD2-CD 3.73Å; L91-K264 HydrophobicContact CD2-CG 4.49Å; L91-K264 HydrophobicContact CG-CD 4.24Å; L91-L265 HydrophobicContact CD1-CD2 3.64Å; L91-L265 HydrophobicContact CD1-CG 4.28Å; L91-L265 HydrophobicContact CD2-CG 4.41Å |
| 92 | D | 88.2 | Confident | 78.4 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.3 | -37 | -179.8 | -72.2 | -22.5 | 0 | 0 | 0 | 110.9 | V88 D89 Y94 I95 E96 K264 | V88-D92 PolarHBondContact O-N 3.05Å; D89-D92 PolarHBondContact O-N 2.85Å; D92-Y94 PolarHBondContact O-N 3Å; D92-I95 PolarHBondContact O-N 3.25Å; D92-I95 VanDerWaalsContact O-N 3.13Å; D92-E96 WeakPolarHBondContact O-CB 3.39Å; D92-E96 WeakPolarHBondContact O-CG 3.32Å; D92-E96 PolarHBondContact O-N 3.42Å; D92-K264 WeakPolarHBondContact OD1-CE 3.3Å; D92-K264 IonicContact OD1-NZ 3.89Å; D92-K264 PolarHBondContact OD1-NZ 3.46Å; D92-K264 IonicContact OD2-NZ 2.68Å; D92-K264 PolarHBondContact OD2-NZ 2.82Å |
| 93 | N | 82.9 | Confident | 76.5 | Confident | 105 Ų | 105 | 68.2 Ų | 68.2 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -55.6 | -36.8 | 164.3 | -87.6 | -88.5 | 0 | 0 | 0 | 112.6 | D89 S97 | D89-N93 VanDerWaalsContact O-CB 3.23Å; D89-N93 WeakPolarHBondContact O-CB 3.39Å; D89-N93 PolarHBondContact O-N 2.81Å; D89-N93 PolarHBondContact O-ND2 3.37Å; N93-S97 VanDerWaalsContact O-CB 3.26Å; N93-S97 WeakPolarHBondContact O-CB 3.34Å; N93-S97 PolarHBondContact O-N 3.47Å |
| 94 | Y | 82.5 | Confident | 74.5 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 11% | 0.106 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.2 | -48.3 | 174.6 | 171.3 | -88.9 | 0 | 0 | 0 | 111.3 | E90 L91 D92 S97 T98 T183 K186 L187 L190 | E90-Y94 WeakPolarHBondContact O-CB 3.29Å; E90-Y94 PolarHBondContact O-N 2.89Å; L91-Y94 CarbonylContact O-C 3.6Å; L91-Y94 WeakPolarHBondContact O-CA 3.41Å; L91-Y94 VanDerWaalsContact O-CB 3.3Å; L91-Y94 WeakPolarHBondContact O-CB 3.5Å; L91-Y94 PolarHBondContact O-N 3.48Å; D92-Y94 PolarHBondContact O-N 3Å; Y94-S97 WeakPolarHBondContact O-CB 3.24Å; Y94-S97 PolarHBondContact O-N 2.68Å; Y94-S97 PolarHBondContact O-OG 2.76Å; Y94-T98 HydrophobicContact CE1-CG2 4.11Å; Y94-T98 HydrophobicContact CE2-CG2 4.48Å; Y94-T98 PolarHBondContact O-N 3.45Å; Y94-T98 VanDerWaalsContact O-N 3.15Å; Y94-T183 HydrophobicContact CE2-CG2 3.95Å; Y94-T183 WeakPolarHBondContact CE2-O 3.39Å; Y94-T183 VanDerWaalsContact OH-CG2 3.26Å; Y94-T183 WeakPolarHBondContact OH-CG2 3.24Å; Y94-T183 PolarHBondContact OH-O 2.97Å; Y94-K186 HydrophobicContact CD2-CB 4.09Å; Y94-K186 HydrophobicContact CD2-CD 3.99Å; Y94-K186 HydrophobicContact CD2-CG 3.83Å; Y94-K186 HydrophobicContact CE2-CB 4.22Å; Y94-K186 HydrophobicContact CE2-CG 4.43Å; Y94-L187 HydrophobicContact CE1-CB 4.43Å; Y94-L187 HydrophobicContact CE1-CD1 3.99Å; Y94-L187 HydrophobicContact CE2-CB 4.24Å; Y94-L190 HydrophobicContact CD1-CD1 4.22Å; Y94-L190 HydrophobicContact CD2-CD1 4.19Å; Y94-L190 HydrophobicContact CG-CD1 3.74Å |
| 95 | I | 83.1 | Confident | 71.8 | Confident | 42 Ų | 42 | 75.6 Ų | 75.6 | 22% | 0.215 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.8 | -52.6 | -178.8 | -70.2 | 168 | 0 | 0 | 0 | 110.5 | L91 D92 S97 T98 H99 K264 | L91-I95 HydrophobicContact CD1-CD1 3.97Å; L91-I95 HydrophobicContact CD1-CG1 4.29Å; L91-I95 HydrophobicContact CG-CD1 3.99Å; L91-I95 WeakPolarHBondContact O-CG1 3.35Å; L91-I95 PolarHBondContact O-N 2.9Å; D92-I95 PolarHBondContact O-N 3.25Å; D92-I95 VanDerWaalsContact O-N 3.13Å; I95-S97 VanDerWaalsContact C-N 3.27Å; I95-S97 PolarHBondContact O-N 3.15Å; I95-T98 WeakPolarHBondContact O-CA 3.23Å; I95-T98 PolarHBondContact O-N 2.92Å; I95-T98 PolarHBondContact O-OG1 3.39Å; I95-H99 PolarHBondContact O-CD2 2.72Å; I95-H99 PolarHBondContact O-N 2.91Å; I95-K264 HydrophobicContact CD1-CB 4.07Å; I95-K264 HydrophobicContact CD1-CD 3.86Å; I95-K264 HydrophobicContact CD1-CG 4.08Å |
| 96 | E | 79.8 | Confident | 69.6 | Low | 135 Ų | 135 | 75.4 Ų | 75.4 | 63% | 0.631 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -54.3 | -44.9 | 174.4 | -72.9 | -166.6 | 164.7 | 0 | 0 | 111.6 | D92 T98 H99 H100 | D92-E96 WeakPolarHBondContact O-CB 3.39Å; D92-E96 WeakPolarHBondContact O-CG 3.32Å; D92-E96 PolarHBondContact O-N 3.42Å; E96-T98 PolarHBondContact O-N 2.68Å; E96-T98 VanDerWaalsContact O-N 3.07Å; E96-H99 PolarHBondContact O-N 2.78Å; E96-H100 WeakPolarHBondContact O-CB 3.22Å; E96-H100 PolarHBondContact O-N 3.41Å |
| 97 | S | 75.3 | Confident | 67.9 | Low | 44 Ų | 44 | 75.5 Ų | 75.5 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.4 | -21.4 | 177.2 | 91.8 | 0 | 0 | 0 | 0 | 112.8 | N93 Y94 I95 K101 | N93-S97 VanDerWaalsContact O-CB 3.26Å; N93-S97 WeakPolarHBondContact O-CB 3.34Å; N93-S97 PolarHBondContact O-N 3.47Å; Y94-S97 WeakPolarHBondContact O-CB 3.24Å; Y94-S97 PolarHBondContact O-N 2.68Å; Y94-S97 PolarHBondContact O-OG 2.76Å; I95-S97 VanDerWaalsContact C-N 3.27Å; I95-S97 PolarHBondContact O-N 3.15Å; S97-K101 WeakPolarHBondContact O-CD 3.43Å; S97-K101 WeakPolarHBondContact O-CE 3.45Å; S97-K101 WeakPolarHBondContact O-CG 3.26Å; S97-K101 PolarHBondContact O-NZ 3.12Å |
| 98 | T | 71.2 | Confident | 66 | Low | 47 Ų | 47 | 76.4 Ų | 76.4 | 29% | 0.288 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -88.8 | -40.8 | 173.2 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | Y94 I95 E96 K101 S102 T183 | Y94-T98 HydrophobicContact CE1-CG2 4.11Å; Y94-T98 HydrophobicContact CE2-CG2 4.48Å; Y94-T98 PolarHBondContact O-N 3.45Å; Y94-T98 VanDerWaalsContact O-N 3.15Å; I95-T98 WeakPolarHBondContact O-CA 3.23Å; I95-T98 PolarHBondContact O-N 2.92Å; I95-T98 PolarHBondContact O-OG1 3.39Å; E96-T98 PolarHBondContact O-N 2.68Å; E96-T98 VanDerWaalsContact O-N 3.07Å; T98-K101 PolarHBondContact O-N 2.91Å; T98-S102 PolarHBondContact O-N 2.69Å; T98-T183 HydrophobicContact CG2-CG2 4.24Å |
| 99 | H | 65.7 | Low | 64 | Low | 114 Ų | 114 | 78.8 Ų | 78.8 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 177.3 | -81 | -102.8 | 0 | 0 | 0 | 113 | I95 E96 K101 S102 I103 | I95-H99 PolarHBondContact O-CD2 2.72Å; I95-H99 PolarHBondContact O-N 2.91Å; E96-H99 PolarHBondContact O-N 2.78Å; H99-K101 PolarHBondContact O-N 2.72Å; H99-S102 PolarHBondContact O-N 2.97Å; H99-S102 PolarHBondContact O-OG 2.82Å; H99-I103 PolarHBondContact O-N 3.21Å |
| 100 | H | 56.3 | Low | 62.1 | Low | 141 Ų | 141 | 81.5 Ų | 81.5 | 65% | 0.653 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.2 | -25.5 | 178 | -153.7 | -55.9 | 0 | 0 | 0 | 111.9 | E96 S104 | E96-H100 WeakPolarHBondContact O-CB 3.22Å; E96-H100 PolarHBondContact O-N 3.41Å; H100-S104 WeakPolarHBondContact O-CB 3.45Å; H100-S104 PolarHBondContact O-N 3.25Å |
| 101 | K | 51 | Low | 60.3 | Low | 117 Ų | 117 | 80.1 Ų | 80.1 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.6 | -32.4 | 169.7 | -68.7 | 177.1 | -172.4 | 96.6 | 0 | 112.1 | S97 T98 H99 W105 | S97-K101 WeakPolarHBondContact O-CD 3.43Å; S97-K101 WeakPolarHBondContact O-CE 3.45Å; S97-K101 WeakPolarHBondContact O-CG 3.26Å; S97-K101 PolarHBondContact O-NZ 3.12Å; T98-K101 PolarHBondContact O-N 2.91Å; H99-K101 PolarHBondContact O-N 2.72Å; K101-W105 PolarHBondContact O-N 3.3Å |
| 102 | S | 47.1 | Very low | 58.6 | Low | 29 Ų | 29 | 83.1 Ų | 83.1 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -70.8 | -43.5 | 173.6 | 71.7 | 0 | 0 | 0 | 0 | 112.7 | T98 H99 S104 W105 I106 | T98-S102 PolarHBondContact O-N 2.69Å; H99-S102 PolarHBondContact O-N 2.97Å; H99-S102 PolarHBondContact O-OG 2.82Å; S102-S104 PolarHBondContact O-N 2.98Å; S102-W105 VanDerWaalsContact CB-CH2 3.42Å; S102-W105 VanDerWaalsContact CB-CZ2 3.49Å; S102-W105 PolarHBondContact O-N 2.86Å; S102-I106 WeakPolarHBondContact O-CG1 3.49Å; S102-I106 PolarHBondContact O-N 2.94Å |
| 103 | I | 46.7 | Very low | 56.5 | Low | 95 Ų | 95 | 85.9 Ų | 85.9 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 177.3 | -63.2 | 170.8 | 0 | 0 | 0 | 110.5 | H99 W105 I106 T107 | H99-I103 PolarHBondContact O-N 3.21Å; I103-W105 PolarHBondContact O-N 3.37Å; I103-I106 PolarHBondContact O-N 3.06Å; I103-I106 VanDerWaalsContact O-N 3.1Å; I103-T107 HydrophobicContact CG2-CG2 4.18Å; I103-T107 PolarHBondContact O-N 3.43Å; I103-T107 PolarHBondContact O-OG1 2.81Å |
| 104 | S | 40.5 | Very low | 54.7 | Low | 71 Ų | 71 | 83.9 Ų | 83.9 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.5 | -39 | 177.9 | 175.4 | 0 | 0 | 0 | 0 | 114 | H100 S102 T107 G108 | H100-S104 WeakPolarHBondContact O-CB 3.45Å; H100-S104 PolarHBondContact O-N 3.25Å; S102-S104 PolarHBondContact O-N 2.98Å; S104-T107 PolarHBondContact O-OG1 2.97Å; S104-G108 PolarHBondContact O-N 3.18Å |
| 105 | W | 35.2 | Very low | 52.9 | Low | 171 Ų | 171 | 90.9 Ų | 90.9 | 65% | 0.648 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.6 | -33.8 | 176.1 | 76.3 | 59.6 | 0 | 0 | 0 | 112 | K101 S102 I103 S109 | K101-W105 PolarHBondContact O-N 3.3Å; S102-W105 VanDerWaalsContact CB-CH2 3.42Å; S102-W105 VanDerWaalsContact CB-CZ2 3.49Å; S102-W105 PolarHBondContact O-N 2.86Å; I103-W105 PolarHBondContact O-N 3.37Å; W105-S109 PolarHBondContact O-N 3.21Å; W105-S109 PolarHBondContact O-OG 3.49Å |
| 106 | I | 44.7 | Very low | 51.2 | Low | 76 Ų | 76 | 97.7 Ų | 97.7 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -44.4 | 178.9 | -62.2 | 170.6 | 0 | 0 | 0 | 110.9 | S102 I103 K110 | S102-I106 WeakPolarHBondContact O-CG1 3.49Å; S102-I106 PolarHBondContact O-N 2.94Å; I103-I106 PolarHBondContact O-N 3.06Å; I103-I106 VanDerWaalsContact O-N 3.1Å; I106-K110 HydrophobicContact CG2-CD 4.11Å; I106-K110 WeakPolarHBondContact O-CB 3.14Å; I106-K110 WeakPolarHBondContact O-CG 3.43Å; I106-K110 PolarHBondContact O-N 3.38Å |
| 107 | T | 47.5 | Very low | 49.5 | Very low | 81 Ų | 81 | 95.2 Ų | 95.2 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -41.1 | -178.9 | 54.4 | 0 | 0 | 0 | 0 | 112 | I103 S104 S109 K110 A111 | I103-T107 HydrophobicContact CG2-CG2 4.18Å; I103-T107 PolarHBondContact O-N 3.43Å; I103-T107 PolarHBondContact O-OG1 2.81Å; S104-T107 PolarHBondContact O-OG1 2.97Å; T107-S109 PolarHBondContact O-N 3.1Å; T107-K110 PolarHBondContact O-N 3.3Å; T107-A111 WeakPolarHBondContact O-CB 3.36Å; T107-A111 PolarHBondContact O-N 3.12Å |
| 108 | G | 44.7 | Very low | 48 | Very low | 43 Ų | 43 | 98.4 Ų | 98.4 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S104 S112 | S104-G108 PolarHBondContact O-N 3.18Å; G108-S112 PolarHBondContact O-N 3.37Å; G108-S112 PolarHBondContact O-OG 2.96Å |
| 109 | S | 46.7 | Very low | 46.7 | Very low | 77 Ų | 77 | 101.5 Ų | 101.5 | 54% | 0.538 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 172.1 | -71.9 | 0 | 0 | 0 | 0 | 112.5 | W105 T107 A111 S112 L113 | W105-S109 PolarHBondContact O-N 3.21Å; W105-S109 PolarHBondContact O-OG 3.49Å; T107-S109 PolarHBondContact O-N 3.1Å; S109-A111 PolarHBondContact O-N 3.2Å; S109-S112 PolarHBondContact O-N 3.36Å; S109-S112 PolarHBondContact O-OG 3.37Å; S109-S112 VanDerWaalsContact O-OG 3.12Å; S109-L113 VanDerWaalsContact O-CB 3.29Å; S109-L113 WeakPolarHBondContact O-CB 3.23Å; S109-L113 PolarHBondContact O-N 3.18Å |
| 110 | K | 45.6 | Very low | 45.6 | Very low | 147 Ų | 147 | 99.6 Ų | 99.6 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.6 | -41 | 179.8 | -76.9 | -177.7 | 178.3 | -174.8 | 0 | 112.9 | I106 T107 S112 L113 S114 | I106-K110 HydrophobicContact CG2-CD 4.11Å; I106-K110 WeakPolarHBondContact O-CB 3.14Å; I106-K110 WeakPolarHBondContact O-CG 3.43Å; I106-K110 PolarHBondContact O-N 3.38Å; T107-K110 PolarHBondContact O-N 3.3Å; K110-S112 PolarHBondContact O-N 3.26Å; K110-L113 PolarHBondContact O-N 3.21Å; K110-S114 WeakPolarHBondContact O-CB 3.38Å; K110-S114 PolarHBondContact O-N 3.32Å; K110-S114 PolarHBondContact O-OG 2.91Å |
| 111 | A | 46.5 | Very low | 44.9 | Very low | 66 Ų | 66 | 100.6 Ų | 100.6 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.8 | -29.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T107 S109 S114 | T107-A111 WeakPolarHBondContact O-CB 3.36Å; T107-A111 PolarHBondContact O-N 3.12Å; S109-A111 PolarHBondContact O-N 3.2Å; A111-S114 PolarHBondContact O-OG 2.95Å |
| 112 | S | 49.5 | Very low | 44.2 | Very low | 63 Ų | 63 | 98.1 Ų | 98.1 | 44% | 0.441 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -83.6 | -30.2 | 174.6 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | G108 S109 K110 R116 | G108-S112 PolarHBondContact O-N 3.37Å; G108-S112 PolarHBondContact O-OG 2.96Å; S109-S112 PolarHBondContact O-N 3.36Å; S109-S112 PolarHBondContact O-OG 3.37Å; S109-S112 VanDerWaalsContact O-OG 3.12Å; K110-S112 PolarHBondContact O-N 3.26Å; S112-R116 WeakPolarHBondContact O-CG 3.15Å; S112-R116 PolarHBondContact O-N 3.41Å |
| 113 | L | 44 | Very low | 43.7 | Very low | 112 Ų | 112 | 107.1 Ų | 107.1 | 59% | 0.586 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.9 | -42.9 | 174 | -153.4 | 80.6 | 0 | 0 | 0 | 112 | S109 K110 R115 R116 L117 | S109-L113 VanDerWaalsContact O-CB 3.29Å; S109-L113 WeakPolarHBondContact O-CB 3.23Å; S109-L113 PolarHBondContact O-N 3.18Å; K110-L113 PolarHBondContact O-N 3.21Å; L113-R115 PolarHBondContact O-N 3.5Å; L113-R116 PolarHBondContact O-N 3.47Å; L113-L117 HydrophobicContact CD2-CD1 4.25Å; L113-L117 HydrophobicContact CG-CD1 4.14Å; L113-L117 WeakPolarHBondContact O-CB 3.46Å; L113-L117 VanDerWaalsContact O-CG 3.28Å; L113-L117 WeakPolarHBondContact O-CG 2.94Å; L113-L117 PolarHBondContact O-N 2.8Å |
| 114 | S | 44.8 | Very low | 43.3 | Very low | 63 Ų | 63 | 110.7 Ų | 110.7 | 44% | 0.441 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.7 | -46.7 | 178.5 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | K110 A111 R116 L117 T118 | K110-S114 WeakPolarHBondContact O-CB 3.38Å; K110-S114 PolarHBondContact O-N 3.32Å; K110-S114 PolarHBondContact O-OG 2.91Å; A111-S114 PolarHBondContact O-OG 2.95Å; S114-R116 PolarHBondContact O-N 3.37Å; S114-L117 PolarHBondContact O-N 2.93Å; S114-L117 VanDerWaalsContact O-N 3.15Å; S114-T118 PolarHBondContact O-N 3.11Å; S114-T118 PolarHBondContact O-OG1 2.97Å; S114-T118 VanDerWaalsContact O-OG1 3.12Å |
| 115 | R | 45.5 | Very low | 43 | Very low | 174 Ų | 174 | 111.8 Ų | 111.8 | 66% | 0.657 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -59.4 | -44.3 | 178.2 | -171.8 | 167.4 | -175 | 156.8 | 4.5 | 112.2 | L113 T118 E119 | L113-R115 PolarHBondContact O-N 3.5Å; R115-T118 PolarHBondContact O-N 2.61Å; R115-E119 VanDerWaalsContact CG-OE1 3.23Å; R115-E119 WeakPolarHBondContact CG-OE1 3.46Å; R115-E119 IonicContact NE-OE1 2.82Å; R115-E119 PolarHBondContact NE-OE1 3.47Å; R115-E119 WeakPolarHBondContact O-CB 3.32Å; R115-E119 VanDerWaalsContact O-CG 3.27Å; R115-E119 WeakPolarHBondContact O-CG 3.27Å; R115-E119 PolarHBondContact O-N 2.98Å |
| 116 | R | 47 | Very low | 42.9 | Very low | 185 Ų | 185 | 110.8 Ų | 110.8 | 70% | 0.698 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69 | -31.4 | 175.7 | -71.7 | -179 | -179.6 | -157.5 | -0.5 | 113.5 | S112 L113 S114 S120 | S112-R116 WeakPolarHBondContact O-CG 3.15Å; S112-R116 PolarHBondContact O-N 3.41Å; L113-R116 PolarHBondContact O-N 3.47Å; S114-R116 PolarHBondContact O-N 3.37Å; R116-S120 WeakPolarHBondContact O-CB 3.32Å; R116-S120 PolarHBondContact O-N 3.17Å |
| 117 | L | 43.2 | Very low | 42.4 | Very low | 84 Ų | 84 | 116.4 Ų | 116.4 | 44% | 0.44 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.9 | -46 | 173.3 | -75.3 | 163.4 | 0 | 0 | 0 | 110.8 | L113 S114 E119 S120 F121 | L113-L117 HydrophobicContact CD2-CD1 4.25Å; L113-L117 HydrophobicContact CG-CD1 4.14Å; L113-L117 WeakPolarHBondContact O-CB 3.46Å; L113-L117 VanDerWaalsContact O-CG 3.28Å; L113-L117 WeakPolarHBondContact O-CG 2.94Å; L113-L117 PolarHBondContact O-N 2.8Å; S114-L117 PolarHBondContact O-N 2.93Å; S114-L117 VanDerWaalsContact O-N 3.15Å; L117-E119 VanDerWaalsContact C-N 3.35Å; L117-E119 PolarHBondContact O-N 2.75Å; L117-S120 PolarHBondContact O-N 3.43Å; L117-F121 HydrophobicContact CD2-CD2 4.23Å; L117-F121 HydrophobicContact CD2-CE2 3.85Å; L117-F121 WeakPolarHBondContact O-CD2 3.47Å; L117-F121 PolarHBondContact O-N 3.3Å |
| 118 | T | 45.1 | Very low | 41.6 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 68% | 0.681 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.1 | -39.9 | 175.5 | -48.9 | 0 | 0 | 0 | 0 | 112.1 | S114 R115 S120 | S114-T118 PolarHBondContact O-N 3.11Å; S114-T118 PolarHBondContact O-OG1 2.97Å; S114-T118 VanDerWaalsContact O-OG1 3.12Å; R115-T118 PolarHBondContact O-N 2.61Å; T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 3.38Å |
| 119 | E | 44 | Very low | 40.7 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 52% | 0.523 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.6 | -21.8 | 177 | -71.4 | 164.4 | -174.6 | 0 | 0 | 113.2 | R115 L117 | R115-E119 VanDerWaalsContact CG-OE1 3.23Å; R115-E119 WeakPolarHBondContact CG-OE1 3.46Å; R115-E119 IonicContact NE-OE1 2.82Å; R115-E119 PolarHBondContact NE-OE1 3.47Å; R115-E119 WeakPolarHBondContact O-CB 3.32Å; R115-E119 VanDerWaalsContact O-CG 3.27Å; R115-E119 WeakPolarHBondContact O-CG 3.27Å; R115-E119 PolarHBondContact O-N 2.98Å; L117-E119 VanDerWaalsContact C-N 3.35Å; L117-E119 PolarHBondContact O-N 2.75Å |
| 120 | S | 42.2 | Very low | 40.2 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 52% | 0.517 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -96.3 | -33.3 | -179.5 | -172.3 | 0 | 0 | 0 | 0 | 114.5 | R116 L117 T118 G122 | R116-S120 WeakPolarHBondContact O-CB 3.32Å; R116-S120 PolarHBondContact O-N 3.17Å; L117-S120 PolarHBondContact O-N 3.43Å; T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 3.38Å; S120-G122 VanDerWaalsContact C-N 3.29Å; S120-G122 PolarHBondContact O-N 3.45Å |
| 121 | F | 40.5 | Very low | 39.4 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -77.5 | -14.4 | 179.7 | -90.3 | -95.9 | 0 | 0 | 0 | 113.3 | L117 R123 | L117-F121 HydrophobicContact CD2-CD2 4.23Å; L117-F121 HydrophobicContact CD2-CE2 3.85Å; L117-F121 WeakPolarHBondContact O-CD2 3.47Å; L117-F121 PolarHBondContact O-N 3.3Å; F121-R123 VanDerWaalsContact C-N 3.32Å; F121-R123 PolarHBondContact O-N 3.1Å |
| 122 | G | 36.8 | Very low | 38.7 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 14.7 | -178 | 0 | 0 | 0 | 0 | 0 | 116.7 | S120 | S120-G122 VanDerWaalsContact C-N 3.29Å; S120-G122 PolarHBondContact O-N 3.45Å |
| 123 | R | 37.6 | Very low | 37.9 | Very low | 218 Ų | 218 | 140.2 Ų | 140.2 | 82% | 0.823 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -133.2 | -11.1 | -175.5 | -60.3 | -167.8 | -169.4 | -149.6 | 1.7 | 116.8 | F121 | F121-R123 VanDerWaalsContact C-N 3.32Å; F121-R123 PolarHBondContact O-N 3.1Å |
| 124 | E | 37.8 | Very low | 37.3 | Very low | 169 Ų | 169 | 143 Ų | 143 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -108.3 | 9 | -169.9 | -130.6 | 78.6 | -142.4 | 0 | 0 | 114 | D126 | E124-D126 VanDerWaalsContact C-N 3.35Å; E124-D126 PolarHBondContact O-N 2.92Å | ||
| 125 | A | 34.7 | Very low | 36.8 | Very low | 94 Ų | 94 | 148 Ų | 148 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | -77.8 | -11.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 126 | D | 32.7 | Very low | 36.1 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | -108.6 | 83.7 | -175.6 | -85.8 | -49.5 | 0 | 0 | 0 | 112.9 | E124 | E124-D126 VanDerWaalsContact C-N 3.35Å; E124-D126 PolarHBondContact O-N 2.92Å | ||
| 127 | K | 34.4 | Very low | 35.4 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | 172.5 | 154.8 | 134.7 | -95.5 | 150.1 | -165.3 | 165.7 | 0 | 116.4 | ||||
| 128 | C | 29.5 | Very low | 35.3 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | 67.4 | 71.9 | 153.7 | -66.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 129 | R | 26.5 | Very low | 34.9 | Very low | 248 Ų | 248 | 143.6 Ų | 143.6 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -55 | 130.9 | 141.9 | 179.3 | -163.9 | -153.6 | 177.8 | 8 | 111.7 | ||||
| 130 | V | 36.3 | Very low | 34.9 | Very low | 146 Ų | 146 | 143 Ų | 143 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | -163.1 | 163 | 154.2 | 139.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 131 | S | 29.4 | Very low | 34.9 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -147.9 | 167.6 | -158.5 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 132 | V | 32.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 75.2 | 145.7 | 168.8 | -171.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 133 | R | 32.1 | Very low | 35 | Very low | 232 Ų | 232 | 148 Ų | 148 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | cis | -144.9 | 164.9 | 22 | -149.6 | 158 | -168.8 | 158.4 | 0.8 | 113.1 | ||||
| 134 | E | 30.2 | Very low | 35.3 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -80.4 | 144.1 | 166.3 | -59.6 | 163.9 | 113.2 | 0 | 0 | 112.1 | ||||
| 135 | N | 34.4 | Very low | 35.8 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | 172.6 | 154.6 | 120.3 | -97.9 | -39.3 | 0 | 0 | 0 | 113.7 | |||||
| 136 | G | 31.3 | Very low | 36.2 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | 94.1 | 95.6 | 141.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 137 | S | 32 | Very low | 37.1 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | trans | 48.4 | 107 | 140.5 | -161.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 138 | A | 41 | Very low | 38.3 | Very low | 83 Ų | 83 | 134 Ų | 134 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | -172.7 | 117.5 | 117.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T140 | A138-T140 PolarHBondContact O-N 3.17Š| |||
| 139 | N | 37.3 | Very low | 39.7 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 96% | 0.963 | 71% | 0.706 | S | S | * | * | trans | -78.3 | 86.2 | -179.7 | -81.9 | -23.3 | 0 | 0 | 0 | 112.4 | ||||
| 140 | T | 43.6 | Very low | 40.9 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 61% | 0.613 | 69% | 0.687 | S | S | * | * | trans | -92.4 | 126.2 | 155.6 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | A138 | A138-T140 PolarHBondContact O-N 3.17Š| ||
| 141 | P | 43.4 | Very low | 42.1 | Very low | 75 Ų | 75 | 122.7 Ų | 122.7 | 49% | 0.487 | 67% | 0.667 | S | S | . | * | trans | -63.9 | 143.6 | -174 | 25.5 | -34.4 | 0 | 0 | 0 | 112.1 | W143 N144 | P141-W143 PolarHBondContact O-N 3.21Å; P141-N144 PolarHBondContact O-N 2.83Å | ||
| 142 | I | 39.1 | Very low | 44.1 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -51.9 | -34.5 | -173.7 | -69 | 171.6 | 0 | 0 | 0 | 112.5 | N144 K145 L146 | I142-N144 PolarHBondContact O-N 3.12Å; I142-N144 VanDerWaalsContact O-N 3.15Å; I142-K145 PolarHBondContact O-N 2.74Å; I142-L146 PolarHBondContact O-N 3.35Å |
| 143 | W | 38.9 | Very low | 45.6 | Very low | 196 Ų | 196 | 122.8 Ų | 122.8 | 74% | 0.742 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -51.3 | -34 | 174.6 | -62.9 | 111.1 | 0 | 0 | 0 | 114.3 | P141 L146 S147 | P141-W143 PolarHBondContact O-N 3.21Å; W143-L146 HydrophobicContact CE3-CD2 4.42Å; W143-L146 HydrophobicContact CZ3-CD2 4.34Å; W143-L146 PolarHBondContact O-N 2.73Å; W143-S147 WeakPolarHBondContact O-CB 3.43Å; W143-S147 PolarHBondContact O-N 2.97Å; W143-S147 PolarHBondContact O-OG 3.01Å; W143-S147 VanDerWaalsContact O-OG 3.1Å |
| 144 | N | 44.6 | Very low | 47 | Very low | 101 Ų | 101 | 115.7 Ų | 115.7 | 54% | 0.54 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -77.7 | -23.5 | 178.3 | -70.3 | -1.2 | 0 | 0 | 0 | 113.3 | P141 I142 | P141-N144 PolarHBondContact O-N 2.83Å; I142-N144 PolarHBondContact O-N 3.12Å; I142-N144 VanDerWaalsContact O-N 3.15Å |
| 145 | K | 48.3 | Very low | 49.1 | Very low | 153 Ų | 153 | 109.5 Ų | 109.5 | 67% | 0.665 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -79.1 | -42.7 | 167.2 | -91.9 | -178 | 173.4 | 176.7 | 0 | 110.7 | I142 K148 I149 | I142-K145 PolarHBondContact O-N 2.74Å; K145-K148 PolarHBondContact O-N 3.17Å; K145-I149 WeakPolarHBondContact O-CG1 3.43Å; K145-I149 PolarHBondContact O-N 2.7Å |
| 146 | L | 43.8 | Very low | 50.9 | Low | 85 Ų | 85 | 104.5 Ų | 104.5 | 45% | 0.445 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.3 | -44.9 | -177.2 | -147 | 75.3 | 0 | 0 | 0 | 112 | I142 W143 K148 I149 Q150 | I142-L146 PolarHBondContact O-N 3.35Å; W143-L146 HydrophobicContact CE3-CD2 4.42Å; W143-L146 HydrophobicContact CZ3-CD2 4.34Å; W143-L146 PolarHBondContact O-N 2.73Å; L146-K148 VanDerWaalsContact C-N 3.29Å; L146-K148 PolarHBondContact O-N 2.92Å; L146-I149 PolarHBondContact O-N 3.01Å; L146-Q150 WeakPolarHBondContact O-CB 3.27Å; L146-Q150 PolarHBondContact O-N 3.2Å |
| 147 | S | 50.1 | Low | 52.5 | Low | 67 Ų | 67 | 105.4 Ų | 105.4 | 47% | 0.469 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.7 | -36.6 | 175.9 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | W143 Q150 S151 | W143-S147 WeakPolarHBondContact O-CB 3.43Å; W143-S147 PolarHBondContact O-N 2.97Å; W143-S147 PolarHBondContact O-OG 3.01Å; W143-S147 VanDerWaalsContact O-OG 3.1Å; S147-Q150 PolarHBondContact O-N 3.18Å; S147-S151 WeakPolarHBondContact O-CB 3.41Å; S147-S151 PolarHBondContact O-N 2.74Å |
| 148 | K | 60.5 | Low | 54.1 | Low | 127 Ų | 127 | 105.8 Ų | 105.8 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.8 | -49.9 | 177.8 | -158.8 | -176 | -177.9 | -166.8 | 0 | 111.7 | K145 L146 Q150 S151 E152 | K145-K148 PolarHBondContact O-N 3.17Å; L146-K148 VanDerWaalsContact C-N 3.29Å; L146-K148 PolarHBondContact O-N 2.92Å; K148-Q150 VanDerWaalsContact C-N 3.29Å; K148-Q150 PolarHBondContact O-N 2.99Å; K148-S151 WeakPolarHBondContact O-CB 3.43Å; K148-S151 PolarHBondContact O-N 2.84Å; K148-S151 PolarHBondContact O-OG 2.91Å; K148-E152 VanDerWaalsContact CE-OE1 3.23Å; K148-E152 WeakPolarHBondContact CE-OE1 3.25Å; K148-E152 IonicContact NZ-OE1 3.89Å; K148-E152 WeakPolarHBondContact O-CG 3.4Å; K148-E152 PolarHBondContact O-N 2.95Å |
| 149 | I | 58.9 | Low | 55.4 | Low | 100 Ų | 100 | 108.8 Ų | 108.8 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -54.3 | -47.4 | 173.9 | -68.3 | 163.6 | 0 | 0 | 0 | 110.5 | K145 L146 S151 E152 E153 | K145-I149 WeakPolarHBondContact O-CG1 3.43Å; K145-I149 PolarHBondContact O-N 2.7Å; L146-I149 PolarHBondContact O-N 3.01Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 2.96Å; I149-E152 PolarHBondContact O-N 2.63Å; I149-E153 WeakPolarHBondContact O-CB 3.48Å; I149-E153 PolarHBondContact O-N 3.36Å |
| 150 | Q | 52.2 | Low | 56.6 | Low | 113 Ų | 113 | 108.2 Ų | 108.2 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.8 | -26.1 | -179.1 | -157.8 | 166.1 | 24 | 0 | 0 | 112.6 | L146 S147 K148 N154 | L146-Q150 WeakPolarHBondContact O-CB 3.27Å; L146-Q150 PolarHBondContact O-N 3.2Å; S147-Q150 PolarHBondContact O-N 3.18Å; K148-Q150 VanDerWaalsContact C-N 3.29Å; K148-Q150 PolarHBondContact O-N 2.99Å; Q150-N154 WeakPolarHBondContact O-CB 3.49Å; Q150-N154 PolarHBondContact O-N 2.85Å; Q150-N154 PolarHBondContact O-ND2 2.94Å |
| 151 | S | 61.5 | Low | 57.3 | Low | 67 Ų | 67 | 107.9 Ų | 107.9 | 47% | 0.469 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.8 | -38.5 | 170.5 | 79.3 | 0 | 0 | 0 | 0 | 112.7 | S147 K148 I149 A155 | S147-S151 WeakPolarHBondContact O-CB 3.41Å; S147-S151 PolarHBondContact O-N 2.74Å; K148-S151 WeakPolarHBondContact O-CB 3.43Å; K148-S151 PolarHBondContact O-N 2.84Å; K148-S151 PolarHBondContact O-OG 2.91Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 2.96Å; S151-A155 WeakPolarHBondContact O-CB 3.39Å; S151-A155 PolarHBondContact O-N 3.41Å |
| 152 | E | 70.6 | Confident | 57.8 | Low | 103 Ų | 103 | 107.5 Ų | 107.5 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.2 | -41.9 | 178.6 | -71.9 | 168.2 | -175.7 | 0 | 0 | 110.8 | K148 I149 A155 E156 | K148-E152 VanDerWaalsContact CE-OE1 3.23Å; K148-E152 WeakPolarHBondContact CE-OE1 3.25Å; K148-E152 IonicContact NZ-OE1 3.89Å; K148-E152 WeakPolarHBondContact O-CG 3.4Å; K148-E152 PolarHBondContact O-N 2.95Å; I149-E152 PolarHBondContact O-N 2.63Å; E152-A155 PolarHBondContact O-N 3.38Å; E152-E156 PolarHBondContact O-N 3.49Å |
| 153 | E | 63.4 | Low | 58.6 | Low | 126 Ų | 126 | 110.3 Ų | 110.3 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 173.1 | -174.1 | 176.3 | -149.5 | 0 | 0 | 111.9 | I149 A155 E156 L157 | I149-E153 WeakPolarHBondContact O-CB 3.48Å; I149-E153 PolarHBondContact O-N 3.36Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 2.92Å; E153-E156 PolarHBondContact O-N 2.89Å; E153-L157 WeakPolarHBondContact O-CB 3.33Å; E153-L157 PolarHBondContact O-N 3.11Å |
| 154 | N | 62.4 | Low | 59.2 | Low | 82 Ų | 82 | 103.9 Ų | 103.9 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 175.7 | -86.6 | -74.8 | 0 | 0 | 0 | 112.9 | Q150 R158 | Q150-N154 WeakPolarHBondContact O-CB 3.49Å; Q150-N154 PolarHBondContact O-N 2.85Å; Q150-N154 PolarHBondContact O-ND2 2.94Å; N154-R158 PolarHBondContact O-N 2.8Å; N154-R158 VanDerWaalsContact O-N 3.1Å |
| 155 | A | 72.9 | Confident | 59.5 | Low | 41 Ų | 41 | 105.9 Ų | 105.9 | 34% | 0.339 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S151 E152 E153 R158 R159 | S151-A155 WeakPolarHBondContact O-CB 3.39Å; S151-A155 PolarHBondContact O-N 3.41Å; E152-A155 PolarHBondContact O-N 3.38Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 2.92Å; A155-R158 PolarHBondContact O-N 2.82Å; A155-R159 WeakPolarHBondContact O-CG 3.46Å; A155-R159 PolarHBondContact O-N 3.01Å |
| 156 | E | 73.4 | Confident | 59.5 | Low | 63 Ų | 63 | 107 Ų | 107 | 29% | 0.294 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.7 | -33.6 | 176.5 | -164.4 | 56 | -146.8 | 0 | 0 | 112 | E152 E153 R158 R159 R160 | E152-E156 PolarHBondContact O-N 3.49Å; E153-E156 PolarHBondContact O-N 2.89Å; E156-R158 PolarHBondContact O-N 2.85Å; E156-R159 PolarHBondContact O-N 3.43Å; E156-R159 WeakPolarHBondContact OE2-CD 3.43Å; E156-R159 IonicContact OE2-CZ 3.93Å; E156-R159 IonicContact OE2-NE 3.68Å; E156-R159 IonicContact OE2-NH1 3.85Å; E156-R159 PolarHBondContact OE2-NH1 2.87Å; E156-R160 WeakPolarHBondContact O-CG 3.46Å; E156-R160 PolarHBondContact O-N 3.31Å |
| 157 | L | 65 | Low | 59.6 | Low | 88 Ų | 88 | 108.2 Ų | 108.2 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 170.8 | -139.9 | 90.6 | 0 | 0 | 0 | 111.5 | E153 R160 Q161 | E153-L157 WeakPolarHBondContact O-CB 3.33Å; E153-L157 PolarHBondContact O-N 3.11Å; L157-R160 PolarHBondContact O-N 2.82Å; L157-Q161 WeakPolarHBondContact O-CG 3.44Å; L157-Q161 PolarHBondContact O-N 3.35Å |
| 158 | R | 65.4 | Low | 59.5 | Low | 138 Ų | 138 | 109.8 Ų | 109.8 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 174.1 | -79.1 | -170.1 | 175.7 | 114.1 | 9.2 | 112.5 | N154 A155 E156 R160 Q161 S162 E908 | N154-R158 PolarHBondContact O-N 2.8Å; N154-R158 VanDerWaalsContact O-N 3.1Å; A155-R158 PolarHBondContact O-N 2.82Å; E156-R158 PolarHBondContact O-N 2.85Å; R158-R160 VanDerWaalsContact C-N 3.26Å; R158-R160 PolarHBondContact O-N 3.35Å; R158-Q161 CarbonylContact O-C 3.41Å; R158-Q161 PolarHBondContact O-N 3.43Å; R158-Q161 VanDerWaalsContact O-N 3.15Å; R158-S162 PolarHBondContact O-N 3.39Å; R158-S162 PolarHBondContact O-OG 3.01Å; R158-E908 IonicContact NE-OE1 2.84Å |
| 159 | R | 68 | Low | 59.2 | Low | 145 Ų | 145 | 108 Ų | 108 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -34.7 | 174.7 | -73.7 | 168.3 | 178.3 | 160.4 | 1 | 112.6 | A155 E156 S162 R163 | A155-R159 WeakPolarHBondContact O-CG 3.46Å; A155-R159 PolarHBondContact O-N 3.01Å; E156-R159 PolarHBondContact O-N 3.43Å; E156-R159 WeakPolarHBondContact OE2-CD 3.43Å; E156-R159 IonicContact OE2-CZ 3.93Å; E156-R159 IonicContact OE2-NE 3.68Å; E156-R159 IonicContact OE2-NH1 3.85Å; E156-R159 PolarHBondContact OE2-NH1 2.87Å; R159-S162 PolarHBondContact O-OG 2.97Å; R159-S162 VanDerWaalsContact O-OG 3.09Å; R159-R163 WeakPolarHBondContact O-CB 3.47Å; R159-R163 WeakPolarHBondContact O-CG 3.28Å; R159-R163 PolarHBondContact O-N 2.71Å |
| 160 | R | 63.2 | Low | 59.1 | Low | 168 Ų | 168 | 108.3 Ų | 108.3 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.9 | -41.8 | 173.7 | -70.3 | 173.3 | -177.8 | -162.5 | -0.3 | 111.7 | E156 L157 R158 R163 S164 | E156-R160 WeakPolarHBondContact O-CG 3.46Å; E156-R160 PolarHBondContact O-N 3.31Å; L157-R160 PolarHBondContact O-N 2.82Å; R158-R160 VanDerWaalsContact C-N 3.26Å; R158-R160 PolarHBondContact O-N 3.35Å; R160-R163 PolarHBondContact O-N 3.25Å; R160-S164 PolarHBondContact O-N 2.95Å |
| 161 | Q | 57.2 | Low | 59.2 | Low | 94 Ų | 94 | 110.4 Ų | 110.4 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.2 | -30.1 | 175.9 | -71.1 | 179 | -7 | 0 | 0 | 113.8 | L157 R158 S164 K165 | L157-Q161 WeakPolarHBondContact O-CG 3.44Å; L157-Q161 PolarHBondContact O-N 3.35Å; R158-Q161 CarbonylContact O-C 3.41Å; R158-Q161 PolarHBondContact O-N 3.43Å; R158-Q161 VanDerWaalsContact O-N 3.15Å; Q161-S164 PolarHBondContact O-OG 2.98Å; Q161-K165 VanDerWaalsContact O-CG 3.32Å; Q161-K165 WeakPolarHBondContact O-CG 3.47Å |
| 162 | S | 55.2 | Low | 58.8 | Low | 66 Ų | 66 | 115.3 Ų | 115.3 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -76.2 | -40.3 | 173.1 | 67.2 | 0 | 0 | 0 | 0 | 111.6 | R158 R159 K165 | R158-S162 PolarHBondContact O-N 3.39Å; R158-S162 PolarHBondContact O-OG 3.01Å; R159-S162 PolarHBondContact O-OG 2.97Å; R159-S162 VanDerWaalsContact O-OG 3.09Å; S162-K165 PolarHBondContact O-N 2.76Å |
| 163 | R | 55.3 | Low | 58.1 | Low | 193 Ų | 193 | 112.8 Ų | 112.8 | 73% | 0.728 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.4 | -32.1 | 175.7 | -77.1 | 177.8 | 168.3 | 174.5 | -4.1 | 113.4 | R159 R160 | R159-R163 WeakPolarHBondContact O-CB 3.47Å; R159-R163 WeakPolarHBondContact O-CG 3.28Å; R159-R163 PolarHBondContact O-N 2.71Å; R160-R163 PolarHBondContact O-N 3.25Å |
| 164 | S | 52.1 | Low | 58.1 | Low | 62 Ų | 62 | 109.6 Ų | 109.6 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 176.1 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | R160 Q161 Q166 S167 | R160-S164 PolarHBondContact O-N 2.95Å; Q161-S164 PolarHBondContact O-OG 2.98Å; S164-Q166 PolarHBondContact O-N 3.11Å; S164-S167 PolarHBondContact O-N 3.47Å |
| 165 | K | 51.2 | Low | 58.1 | Low | 143 Ų | 143 | 110 Ų | 110 | 62% | 0.622 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -9.3 | 179 | -75.2 | 172.1 | -177.5 | 173.6 | 0 | 114.5 | Q161 S162 | Q161-K165 VanDerWaalsContact O-CG 3.32Å; Q161-K165 WeakPolarHBondContact O-CG 3.47Å; S162-K165 PolarHBondContact O-N 2.76Å |
| 166 | Q | 48 | Very low | 57.6 | Low | 175 Ų | 175 | 114.6 Ų | 114.6 | 82% | 0.818 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 9.3 | -172.5 | -140.9 | 164.9 | 9 | 0 | 0 | 114.1 | S164 | S164-Q166 PolarHBondContact O-N 3.11Š|
| 167 | S | 44.2 | Very low | 57.1 | Low | 111 Ų | 111 | 116.1 Ų | 116.1 | 78% | 0.776 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -149.9 | 32.6 | 174.7 | -169.8 | 0 | 0 | 0 | 0 | 113.9 | S164 | S164-S167 PolarHBondContact O-N 3.47Š|
| 168 | E | 49.8 | Very low | 57 | Low | 100 Ų | 100 | 114.7 Ų | 114.7 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | trans | -93.5 | 118.3 | 176 | -77.3 | 180 | 118.9 | 0 | 0 | 111.5 | ||||
| 169 | N | 54.5 | Low | 56.9 | Low | 91 Ų | 91 | 115.9 Ų | 115.9 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | trans | -69.4 | 121.2 | -178.6 | 176.9 | -29.3 | 0 | 0 | 0 | 110.2 | K171 Y172 | N169-K171 PolarHBondContact O-N 3.11Å; N169-K171 WeakPolarHBondContact OD1-CB 3.24Å; N169-K171 PolarHBondContact OD1-N 3.48Å; N169-K171 VanDerWaalsContact OD1-N 3.12Å; N169-Y172 HydrophobicContact CB-CD2 4.13Å; N169-Y172 PolarHBondContact O-N 3.49Å | ||
| 170 | P | 55.7 | Low | 56.7 | Low | 106 Ų | 106 | 115.8 Ų | 115.8 | 69% | 0.688 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.6 | -21 | -169.4 | 23.2 | -34.2 | 0 | 0 | 0 | 114.1 | Y172 A174 | P170-Y172 VanDerWaalsContact C-N 3.27Å; P170-Y172 PolarHBondContact O-N 3.22Å; P170-A174 WeakPolarHBondContact O-CB 3.46Å; P170-A174 PolarHBondContact O-N 3.11Å; P170-A174 VanDerWaalsContact O-N 3.14Å |
| 171 | K | 54.8 | Low | 56.5 | Low | 157 Ų | 157 | 114 Ų | 114 | 68% | 0.683 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.8 | -29.1 | 175.2 | -153.3 | 172.4 | -171 | 175.5 | 0 | 112.4 | N169 Q175 | N169-K171 PolarHBondContact O-N 3.11Å; N169-K171 WeakPolarHBondContact OD1-CB 3.24Å; N169-K171 PolarHBondContact OD1-N 3.48Å; N169-K171 VanDerWaalsContact OD1-N 3.12Å; K171-Q175 WeakPolarHBondContact O-CG 3.48Å; K171-Q175 PolarHBondContact O-N 2.92Å |
| 172 | Y | 52.6 | Low | 56.9 | Low | 169 Ų | 169 | 115.2 Ų | 115.2 | 66% | 0.663 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -78.2 | -44.7 | 177.6 | -83.5 | -93.5 | 0 | 0 | 0 | 112.5 | N169 P170 A174 Q175 R176 | N169-Y172 HydrophobicContact CB-CD2 4.13Å; N169-Y172 PolarHBondContact O-N 3.49Å; P170-Y172 VanDerWaalsContact C-N 3.27Å; P170-Y172 PolarHBondContact O-N 3.22Å; Y172-A174 VanDerWaalsContact C-N 3.33Å; Y172-A174 PolarHBondContact O-N 2.99Å; Y172-Q175 PolarHBondContact O-N 3.21Å; Y172-R176 WeakPolarHBondContact O-CB 3.47Å; Y172-R176 PolarHBondContact O-N 3.05Å |
| 173 | D | 56.1 | Low | 57.7 | Low | 51 Ų | 51 | 114.5 Ų | 114.5 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.5 | -33.4 | 177.3 | -91.9 | -39.8 | 0 | 0 | 0 | 112.5 | Q175 R176 L177 | D173-Q175 VanDerWaalsContact C-N 3.33Å; D173-Q175 PolarHBondContact O-N 3.27Å; D173-R176 WeakPolarHBondContact O-CB 3.3Å; D173-R176 PolarHBondContact O-N 2.95Å; D173-R176 WeakPolarHBondContact OD1-CD 3.48Å; D173-R176 IonicContact OD1-CZ 3.36Å; D173-R176 IonicContact OD1-NH1 2.68Å; D173-R176 PolarHBondContact OD1-NH1 3.27Å; D173-L177 VanDerWaalsContact O-CB 3.32Å; D173-L177 WeakPolarHBondContact O-CB 3.42Å; D173-L177 WeakPolarHBondContact O-CG 3.42Å; D173-L177 PolarHBondContact O-N 3.5Å |
| 174 | A | 62.8 | Low | 58.4 | Low | 58 Ų | 58 | 112.4 Ų | 112.4 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56.8 | -45.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P170 Y172 D178 | P170-A174 WeakPolarHBondContact O-CB 3.46Å; P170-A174 PolarHBondContact O-N 3.11Å; P170-A174 VanDerWaalsContact O-N 3.14Å; Y172-A174 VanDerWaalsContact C-N 3.33Å; Y172-A174 PolarHBondContact O-N 2.99Å; A174-D178 PolarHBondContact O-N 3.17Å |
| 175 | Q | 62.9 | Low | 59.2 | Low | 91 Ų | 91 | 115.2 Ų | 115.2 | 43% | 0.425 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 174.5 | -70 | -173.8 | 22.3 | 0 | 0 | 112.5 | K171 Y172 D173 L177 D178 R179 | K171-Q175 WeakPolarHBondContact O-CG 3.48Å; K171-Q175 PolarHBondContact O-N 2.92Å; Y172-Q175 PolarHBondContact O-N 3.21Å; D173-Q175 VanDerWaalsContact C-N 3.33Å; D173-Q175 PolarHBondContact O-N 3.27Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-L177 PolarHBondContact O-N 3.33Å; Q175-D178 PolarHBondContact O-N 2.88Å; Q175-R179 WeakPolarHBondContact O-CB 3.27Å; Q175-R179 VanDerWaalsContact O-CG 3.24Å; Q175-R179 WeakPolarHBondContact O-CG 3.46Å; Q175-R179 PolarHBondContact O-N 3.03Å |
| 176 | R | 62.5 | Low | 60.2 | Low | 137 Ų | 137 | 112 Ų | 112 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 178 | -166.6 | -173.2 | -174.2 | -172.7 | 6.5 | 111.6 | Y172 D173 K180 | Y172-R176 WeakPolarHBondContact O-CB 3.47Å; Y172-R176 PolarHBondContact O-N 3.05Å; D173-R176 WeakPolarHBondContact O-CB 3.3Å; D173-R176 PolarHBondContact O-N 2.95Å; D173-R176 WeakPolarHBondContact OD1-CD 3.48Å; D173-R176 IonicContact OD1-CZ 3.36Å; D173-R176 IonicContact OD1-NH1 2.68Å; D173-R176 PolarHBondContact OD1-NH1 3.27Å; R176-K180 WeakPolarHBondContact O-CG 3.45Å; R176-K180 PolarHBondContact O-N 3.28Å |
| 177 | L | 62.8 | Low | 61.6 | Low | 95 Ų | 95 | 105.7 Ų | 105.7 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -43.8 | 175.1 | -78.2 | 162.9 | 0 | 0 | 0 | 112.2 | D173 Q175 K180 K181 | D173-L177 VanDerWaalsContact O-CB 3.32Å; D173-L177 WeakPolarHBondContact O-CB 3.42Å; D173-L177 WeakPolarHBondContact O-CG 3.42Å; D173-L177 PolarHBondContact O-N 3.5Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-L177 PolarHBondContact O-N 3.33Å; L177-K180 PolarHBondContact O-N 3.11Å; L177-K181 WeakPolarHBondContact O-CB 3.5Å; L177-K181 VanDerWaalsContact O-CG 3.27Å; L177-K181 WeakPolarHBondContact O-CG 3.48Å; L177-K181 PolarHBondContact O-N 3.24Å |
| 178 | D | 64.2 | Low | 63 | Low | 58 Ų | 58 | 105.3 Ų | 105.3 | 31% | 0.31 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 174.2 | 175.4 | 56.4 | 0 | 0 | 0 | 112 | A174 Q175 K180 K181 K182 R185 | A174-D178 PolarHBondContact O-N 3.17Å; Q175-D178 PolarHBondContact O-N 2.88Å; D178-K180 PolarHBondContact O-N 3.3Å; D178-K181 CarbonylContact O-C 3.58Å; D178-K181 PolarHBondContact O-N 3.44Å; D178-K181 VanDerWaalsContact O-N 3.14Å; D178-K182 WeakPolarHBondContact O-CG 3.38Å; D178-K182 PolarHBondContact O-N 3.2Å; D178-K182 WeakPolarHBondContact OD1-CE 3.39Å; D178-K182 IonicContact OD1-NZ 2.76Å; D178-K182 WeakPolarHBondContact OD2-CD 3.03Å; D178-K182 WeakPolarHBondContact OD2-CE 3.32Å; D178-K182 IonicContact OD2-NZ 3.44Å; D178-K182 PolarHBondContact OD2-NZ 3.15Å; D178-R185 IonicContact OD1-NH2 2.7Å |
| 179 | R | 63 | Low | 64 | Low | 164 Ų | 164 | 104.6 Ų | 104.6 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.2 | -47.8 | 173.7 | -72.1 | 174.7 | -167.9 | -157.4 | 6.8 | 111.3 | Q175 K181 K182 T183 | Q175-R179 WeakPolarHBondContact O-CB 3.27Å; Q175-R179 VanDerWaalsContact O-CG 3.24Å; Q175-R179 WeakPolarHBondContact O-CG 3.46Å; Q175-R179 PolarHBondContact O-N 3.03Å; R179-K181 PolarHBondContact O-N 3.11Å; R179-K182 PolarHBondContact O-N 3.2Å; R179-T183 PolarHBondContact O-N 2.84Å; R179-T183 PolarHBondContact O-OG1 3.23Å |
| 180 | K | 62.8 | Low | 65.2 | Low | 142 Ų | 142 | 100.5 Ų | 100.5 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -57.9 | -45.5 | 172.9 | -79.9 | -176 | 172.7 | -174.6 | 0 | 112.2 | R176 L177 D178 K182 T183 F184 | R176-K180 WeakPolarHBondContact O-CG 3.45Å; R176-K180 PolarHBondContact O-N 3.28Å; L177-K180 PolarHBondContact O-N 3.11Å; D178-K180 PolarHBondContact O-N 3.3Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 2.95Å; K180-T183 PolarHBondContact O-N 3.42Å; K180-F184 WeakPolarHBondContact O-CB 3.49Å; K180-F184 PolarHBondContact O-N 3.33Å |
| 181 | K | 60.1 | Low | 66.4 | Low | 130 Ų | 130 | 96.8 Ų | 96.8 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.2 | -33.9 | 176.8 | -73.4 | 170.7 | 179.5 | 179.1 | 0 | 112.7 | L177 D178 R179 R185 | L177-K181 WeakPolarHBondContact O-CB 3.5Å; L177-K181 VanDerWaalsContact O-CG 3.27Å; L177-K181 WeakPolarHBondContact O-CG 3.48Å; L177-K181 PolarHBondContact O-N 3.24Å; D178-K181 CarbonylContact O-C 3.58Å; D178-K181 PolarHBondContact O-N 3.44Å; D178-K181 VanDerWaalsContact O-N 3.14Å; R179-K181 PolarHBondContact O-N 3.11Å; K181-R185 WeakPolarHBondContact O-CG 3.3Å; K181-R185 PolarHBondContact O-N 3.31Å; K181-R185 PolarHBondContact O-NE 3.21Å |
| 182 | K | 65.2 | Low | 67.2 | Low | 121 Ų | 121 | 91.5 Ų | 91.5 | 53% | 0.526 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.2 | -47.8 | 175.1 | -75.9 | 171.5 | 173 | 162.8 | 0 | 111.4 | D178 R179 K180 F184 R185 K186 | D178-K182 WeakPolarHBondContact O-CG 3.38Å; D178-K182 PolarHBondContact O-N 3.2Å; D178-K182 WeakPolarHBondContact OD1-CE 3.39Å; D178-K182 IonicContact OD1-NZ 2.76Å; D178-K182 WeakPolarHBondContact OD2-CD 3.03Å; D178-K182 WeakPolarHBondContact OD2-CE 3.32Å; D178-K182 IonicContact OD2-NZ 3.44Å; D178-K182 PolarHBondContact OD2-NZ 3.15Å; R179-K182 PolarHBondContact O-N 3.2Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 2.95Å; K182-F184 VanDerWaalsContact C-N 3.35Å; K182-F184 PolarHBondContact O-N 2.69Å; K182-R185 PolarHBondContact O-N 3.4Å; K182-K186 PolarHBondContact O-N 3.43Å; K182-K186 VanDerWaalsContact O-N 3.08Å |
| 183 | T | 70.7 | Confident | 68.2 | Low | 51 Ų | 51 | 84.9 Ų | 84.9 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 175.9 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | Y94 T98 R179 K180 L187 | Y94-T183 HydrophobicContact CE2-CG2 3.95Å; Y94-T183 WeakPolarHBondContact CE2-O 3.39Å; Y94-T183 VanDerWaalsContact OH-CG2 3.26Å; Y94-T183 WeakPolarHBondContact OH-CG2 3.24Å; Y94-T183 PolarHBondContact OH-O 2.97Å; T98-T183 HydrophobicContact CG2-CG2 4.24Å; R179-T183 PolarHBondContact O-N 2.84Å; R179-T183 PolarHBondContact O-OG1 3.23Å; K180-T183 PolarHBondContact O-N 3.42Å; T183-L187 PolarHBondContact O-N 3.1Å |
| 184 | F | 70.6 | Confident | 69.5 | Low | 148 Ų | 148 | 82.5 Ų | 82.5 | 65% | 0.649 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.2 | -37.7 | 176.2 | -175.9 | -91.1 | 0 | 0 | 0 | 112.6 | K180 K182 H188 | K180-F184 WeakPolarHBondContact O-CB 3.49Å; K180-F184 PolarHBondContact O-N 3.33Å; K182-F184 VanDerWaalsContact C-N 3.35Å; K182-F184 PolarHBondContact O-N 2.69Å; F184-H188 WeakPolarHBondContact O-CB 3.42Å; F184-H188 PolarHBondContact O-N 3.34Å |
| 185 | R | 68 | Low | 70.2 | Confident | 122 Ų | 122 | 80.8 Ų | 80.8 | 46% | 0.46 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63 | -56.4 | 174 | -80.6 | 173.2 | -74.6 | -170.5 | 1.5 | 111.4 | D178 K181 K182 L187 H188 D189 | D178-R185 IonicContact OD1-NH2 2.7Å; K181-R185 WeakPolarHBondContact O-CG 3.3Å; K181-R185 PolarHBondContact O-N 3.31Å; K181-R185 PolarHBondContact O-NE 3.21Å; K182-R185 PolarHBondContact O-N 3.4Å; R185-L187 PolarHBondContact O-N 3.02Å; R185-L187 VanDerWaalsContact O-N 3.08Å; R185-H188 WeakPolarHBondContact O-CA 3.48Å; R185-H188 WeakPolarHBondContact O-CB 3.47Å; R185-H188 PolarHBondContact O-N 2.94Å; R185-D189 VanDerWaalsContact C-OD2 3.27Å; R185-D189 PolarHBondContact O-N 3.29Å |
| 186 | K | 72.6 | Confident | 70.6 | Confident | 74 Ų | 74 | 79.1 Ų | 79.1 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56 | -34.9 | 179.5 | -174.6 | 168.1 | 178.4 | -174.7 | 0 | 112.9 | E90 Y94 K182 D189 L190 | E90-K186 PolarHBondContact O-NZ 2.94Å; E90-K186 IonicContact OE2-NZ 3.27Å; Y94-K186 HydrophobicContact CD2-CB 4.09Å; Y94-K186 HydrophobicContact CD2-CD 3.99Å; Y94-K186 HydrophobicContact CD2-CG 3.83Å; Y94-K186 HydrophobicContact CE2-CB 4.22Å; Y94-K186 HydrophobicContact CE2-CG 4.43Å; K182-K186 PolarHBondContact O-N 3.43Å; K182-K186 VanDerWaalsContact O-N 3.08Å; K186-D189 PolarHBondContact O-N 3.04Å; K186-L190 HydrophobicContact CG-CD1 4.17Å; K186-L190 HydrophobicContact CG-CG 4.43Å; K186-L190 WeakPolarHBondContact O-CB 3.46Å; K186-L190 WeakPolarHBondContact O-CG 3.23Å; K186-L190 PolarHBondContact O-N 3.32Å |
| 187 | L | 78.5 | Confident | 71.8 | Confident | 43 Ų | 43 | 72.9 Ų | 72.9 | 23% | 0.225 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 173.3 | -176.3 | 59.5 | 0 | 0 | 0 | 113.5 | Y94 T183 R185 D189 K191 L265 | Y94-L187 HydrophobicContact CE1-CB 4.43Å; Y94-L187 HydrophobicContact CE1-CD1 3.99Å; Y94-L187 HydrophobicContact CE2-CB 4.24Å; T183-L187 PolarHBondContact O-N 3.1Å; R185-L187 PolarHBondContact O-N 3.02Å; R185-L187 VanDerWaalsContact O-N 3.08Å; L187-D189 VanDerWaalsContact C-N 3.31Å; L187-K191 HydrophobicContact CG-CD 4.43Å; L187-K191 WeakPolarHBondContact O-CB 3.26Å; L187-K191 VanDerWaalsContact O-CG 3.27Å; L187-K191 WeakPolarHBondContact O-CG 3.5Å; L187-K191 PolarHBondContact O-N 2.89Å; L187-L265 HydrophobicContact CD1-CD2 3.78Å |
| 188 | H | 73 | Confident | 72.9 | Confident | 103 Ų | 103 | 69.7 Ų | 69.7 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 174.6 | 172.6 | -83.6 | 0 | 0 | 0 | 111.1 | F184 R185 K191 L192 | F184-H188 WeakPolarHBondContact O-CB 3.42Å; F184-H188 PolarHBondContact O-N 3.34Å; R185-H188 WeakPolarHBondContact O-CA 3.48Å; R185-H188 WeakPolarHBondContact O-CB 3.47Å; R185-H188 PolarHBondContact O-N 2.94Å; H188-K191 PolarHBondContact O-N 3.43Å; H188-L192 PolarHBondContact O-N 3.16Å |
| 189 | D | 71.4 | Confident | 73.6 | Confident | 85 Ų | 85 | 68.3 Ų | 68.3 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.4 | -39.8 | -175.6 | -53 | -27.3 | 0 | 0 | 0 | 110.8 | R185 K186 L187 L192 A193 | R185-D189 VanDerWaalsContact C-OD2 3.27Å; R185-D189 PolarHBondContact O-N 3.29Å; K186-D189 PolarHBondContact O-N 3.04Å; L187-D189 VanDerWaalsContact C-N 3.31Å; D189-L192 WeakPolarHBondContact O-CB 3.26Å; D189-L192 PolarHBondContact O-N 3.04Å; D189-A193 PolarHBondContact O-N 3.18Å |
| 190 | L | 79.6 | Confident | 74.6 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.7 | -47 | 167.6 | -81.2 | 168.1 | 0 | 0 | 0 | 112.5 | E90 L91 Y94 K186 L192 A193 F194 | E90-L190 HydrophobicContact CB-CD2 3.98Å; L91-L190 HydrophobicContact CB-CD2 4.36Å; L91-L190 HydrophobicContact CD1-CD1 4.15Å; Y94-L190 HydrophobicContact CD1-CD1 4.22Å; Y94-L190 HydrophobicContact CD2-CD1 4.19Å; Y94-L190 HydrophobicContact CG-CD1 3.74Å; K186-L190 HydrophobicContact CG-CD1 4.17Å; K186-L190 HydrophobicContact CG-CG 4.43Å; K186-L190 WeakPolarHBondContact O-CB 3.46Å; K186-L190 WeakPolarHBondContact O-CG 3.23Å; K186-L190 PolarHBondContact O-N 3.32Å; L190-L192 PolarHBondContact O-N 3.09Å; L190-A193 PolarHBondContact O-N 3.25Å; L190-F194 HydrophobicContact CD2-CE2 4.43Å; L190-F194 WeakPolarHBondContact O-CD2 3.16Å; L190-F194 PolarHBondContact O-N 3.49Å |
| 191 | K | 80.8 | Confident | 75.8 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -31.6 | 177.2 | -74.5 | -179.9 | -179.6 | -157.3 | 0 | 112.6 | L187 H188 S195 F261 L265 E266 | L187-K191 HydrophobicContact CG-CD 4.43Å; L187-K191 WeakPolarHBondContact O-CB 3.26Å; L187-K191 VanDerWaalsContact O-CG 3.27Å; L187-K191 WeakPolarHBondContact O-CG 3.5Å; L187-K191 PolarHBondContact O-N 2.89Å; H188-K191 PolarHBondContact O-N 3.43Å; K191-S195 WeakPolarHBondContact O-CB 3.19Å; K191-S195 PolarHBondContact O-N 2.87Å; K191-S195 PolarHBondContact O-OG 2.83Å; K191-F261 HydrophobicContact CB-CE2 4.4Å; K191-F261 HydrophobicContact CB-CZ 4.34Å; K191-F261 HydrophobicContact CG-CZ 4.42Å; K191-F261 WeakPolarHBondContact O-CE2 3.42Å; K191-L265 WeakPolarHBondContact CE-O 3.5Å; K191-L265 HydrophobicContact CG-CB 4.2Å; K191-L265 HydrophobicContact CG-CD1 4.16Å; K191-L265 HydrophobicContact CG-CD2 3.92Å; K191-L265 HydrophobicContact CG-CG 4.33Å; K191-L265 PolarHBondContact NZ-O 3.16Å; K191-E266 WeakPolarHBondContact CD-OE1 3.36Å; K191-E266 WeakPolarHBondContact CE-OE1 3.33Å; K191-E266 IonicContact NZ-OE1 3.35Å; K191-E266 PolarHBondContact NZ-OE1 3.02Å; K191-E266 IonicContact NZ-OE2 2.66Å; K191-E266 PolarHBondContact NZ-OE2 2.93Å; K191-E266 VanDerWaalsContact NZ-OE2 3.12Å |
| 192 | L | 70.8 | Confident | 77.1 | Confident | 46 Ų | 46 | 49 Ų | 49 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.7 | -51.8 | 173.6 | -167.5 | 64.7 | 0 | 0 | 0 | 110 | H188 D189 L190 F194 S195 E196 | H188-L192 PolarHBondContact O-N 3.16Å; D189-L192 WeakPolarHBondContact O-CB 3.26Å; D189-L192 PolarHBondContact O-N 3.04Å; L190-L192 PolarHBondContact O-N 3.09Å; L192-F194 PolarHBondContact O-N 2.87Å; L192-S195 WeakPolarHBondContact O-CA 3.37Å; L192-S195 PolarHBondContact O-N 3.37Å; L192-S195 PolarHBondContact O-OG 3.13Å; L192-E196 WeakPolarHBondContact CG-OE2 3.47Å; L192-E196 WeakPolarHBondContact O-CG 3.3Å; L192-E196 PolarHBondContact O-N 2.81Å |
| 193 | A | 73.6 | Confident | 78 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L87 D189 L190 S195 E196 F197 | L87-A193 HydrophobicContact CD2-CB 3.65Å; D189-A193 PolarHBondContact O-N 3.18Å; L190-A193 PolarHBondContact O-N 3.25Å; A193-S195 VanDerWaalsContact C-N 3.31Å; A193-S195 PolarHBondContact O-N 2.95Å; A193-E196 PolarHBondContact O-N 3.35Å; A193-F197 WeakPolarHBondContact O-CB 3.34Å; A193-F197 PolarHBondContact O-N 3.17Å |
| 194 | F | 83.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -33.4 | 173.4 | -87.2 | -93.5 | 0 | 0 | 0 | 112.8 | L87 L91 L190 L192 F197 Y198 V257 I260 F261 L265 | L87-F194 HydrophobicContact CB-CD2 4.36Å; L87-F194 HydrophobicContact CB-CE1 4.28Å; L87-F194 HydrophobicContact CB-CE2 3.77Å; L87-F194 HydrophobicContact CB-CZ 3.73Å; L87-F194 VanDerWaalsContact O-CE2 3.32Å; L87-F194 WeakPolarHBondContact O-CE2 3.17Å; L87-F194 WeakPolarHBondContact O-CZ 3.37Å; L91-F194 HydrophobicContact CB-CE2 4Å; L91-F194 HydrophobicContact CB-CZ 4.23Å; L91-F194 HydrophobicContact CD2-CE2 3.85Å; L91-F194 HydrophobicContact CD2-CZ 3.7Å; L91-F194 HydrophobicContact CG-CE2 4.48Å; L190-F194 HydrophobicContact CD2-CE2 4.43Å; L190-F194 WeakPolarHBondContact O-CD2 3.16Å; L190-F194 PolarHBondContact O-N 3.49Å; L192-F194 PolarHBondContact O-N 2.87Å; F194-F197 PolarHBondContact O-N 3.15Å; F194-Y198 WeakPolarHBondContact O-CB 3.28Å; F194-Y198 PolarHBondContact O-N 3.07Å; F194-V257 HydrophobicContact CD1-CG1 4.36Å; F194-I260 HydrophobicContact CD1-CG2 4.31Å; F194-I260 HydrophobicContact CE1-CG2 3.64Å; F194-I260 HydrophobicContact CZ-CG2 4Å; F194-F261 HydrophobicContact CB-CD2 3.8Å; F194-F261 HydrophobicContact CB-CE2 4.1Å; F194-L265 HydrophobicContact CB-CD1 4.11Å; F194-L265 HydrophobicContact CD2-CD1 3.92Å; F194-L265 HydrophobicContact CG-CD1 3.98Å |
| 195 | S | 77.9 | Confident | 79.8 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.2 | -30.7 | 176.3 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | K191 L192 A193 L199 | K191-S195 WeakPolarHBondContact O-CB 3.19Å; K191-S195 PolarHBondContact O-N 2.87Å; K191-S195 PolarHBondContact O-OG 2.83Å; L192-S195 WeakPolarHBondContact O-CA 3.37Å; L192-S195 PolarHBondContact O-N 3.37Å; L192-S195 PolarHBondContact O-OG 3.13Å; A193-S195 VanDerWaalsContact C-N 3.31Å; A193-S195 PolarHBondContact O-N 2.95Å; S195-L199 PolarHBondContact O-N 3.36Å |
| 196 | E | 71.5 | Confident | 80.7 | Confident | 56 Ų | 56 | 29.5 Ų | 29.5 | 26% | 0.262 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -72.8 | -38.8 | 171 | -65.8 | 172.6 | 68.4 | 0 | 0 | 111.8 | L192 A193 L199 S200 R711 | L192-E196 WeakPolarHBondContact CG-OE2 3.47Å; L192-E196 WeakPolarHBondContact O-CG 3.3Å; L192-E196 PolarHBondContact O-N 2.81Å; A193-E196 PolarHBondContact O-N 3.35Å; E196-L199 WeakPolarHBondContact O-CB 3.44Å; E196-L199 PolarHBondContact O-N 2.95Å; E196-S200 PolarHBondContact O-N 3.17Å; E196-R711 IonicContact OE1-CZ 3.97Å; E196-R711 IonicContact OE1-NE 3.21Å; E196-R711 IonicContact OE1-NH1 3.21Å; E196-R711 PolarHBondContact OE1-NH1 2.78Å; E196-R711 IonicContact OE1-NH2 2.77Å; E196-R711 PolarHBondContact OE1-NH2 3.23Å; E196-R711 IonicContact OE2-CZ 3.17Å; E196-R711 IonicContact OE2-NH1 3.14Å; E196-R711 PolarHBondContact OE2-NH1 3.03Å; E196-R711 IonicContact OE2-NH2 2.73Å; E196-R711 PolarHBondContact OE2-NH2 3.14Å |
| 197 | F | 86.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 177.5 | -176.5 | -116.4 | 0 | 0 | 0 | 111.5 | A80 K83 F84 L87 A193 F194 L199 S200 L201 V257 | A80-F197 HydrophobicContact CB-CE2 3.98Å; A80-F197 HydrophobicContact CB-CZ 4.21Å; A80-F197 VanDerWaalsContact O-CE2 3.3Å; A80-F197 WeakPolarHBondContact O-CE2 3.48Å; A80-F197 VanDerWaalsContact O-CZ 3.24Å; A80-F197 WeakPolarHBondContact O-CZ 3.49Å; K83-F197 HydrophobicContact CB-CD2 3.95Å; K83-F197 HydrophobicContact CB-CE2 3.8Å; F84-F197 HydrophobicContact CB-CE1 3.7Å; F84-F197 HydrophobicContact CB-CZ 3.66Å; F84-F197 HydrophobicContact CD2-CD1 4.22Å; F84-F197 AromaticContact CD2-CE1 3.58Å; F84-F197 HydrophobicContact CD2-CE1 3.58Å; F84-F197 HydrophobicContact CD2-CZ 4.41Å; F84-F197 HydrophobicContact CG-CE1 4.01Å; F84-F197 HydrophobicContact CG-CZ 4.41Å; L87-F197 HydrophobicContact CD1-CB 3.54Å; L87-F197 HydrophobicContact CD1-CD1 4.15Å; L87-F197 HydrophobicContact CD1-CD2 4.37Å; L87-F197 HydrophobicContact CD1-CG 3.74Å; A193-F197 WeakPolarHBondContact O-CB 3.34Å; A193-F197 PolarHBondContact O-N 3.17Å; F194-F197 PolarHBondContact O-N 3.15Å; F197-L199 VanDerWaalsContact C-N 3.26Å; F197-L199 PolarHBondContact O-N 2.8Å; F197-S200 PolarHBondContact O-N 2.95Å; F197-S200 PolarHBondContact O-OG 2.91Å; F197-L201 HydrophobicContact CD1-CD1 4.19Å; F197-L201 HydrophobicContact CE1-CD1 3.68Å; F197-L201 HydrophobicContact CE1-CD2 4.46Å; F197-L201 HydrophobicContact CE1-CG 4.2Å; F197-L201 HydrophobicContact CE2-CD2 4.27Å; F197-L201 HydrophobicContact CE2-CG 4.34Å; F197-L201 HydrophobicContact CZ-CD1 3.94Å; F197-L201 HydrophobicContact CZ-CD2 3.87Å; F197-L201 HydrophobicContact CZ-CG 4Å; F197-L201 PolarHBondContact O-N 3.43Å; F197-L201 VanDerWaalsContact O-N 3.11Å; F197-V257 HydrophobicContact CD1-CG2 3.63Å; F197-V257 HydrophobicContact CE1-CG2 3.61Å |
| 198 | Y | 86.9 | Confident | 82.3 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 11% | 0.106 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.2 | -42.8 | 171.3 | -176 | -99.4 | 0 | 0 | 0 | 112.2 | F194 S200 L201 V202 I254 V257 E258 L277 | F194-Y198 WeakPolarHBondContact O-CB 3.28Å; F194-Y198 PolarHBondContact O-N 3.07Å; Y198-S200 PolarHBondContact O-N 2.66Å; Y198-L201 PolarHBondContact O-N 3.02Å; Y198-V202 HydrophobicContact CD1-CG2 4.15Å; Y198-V202 HydrophobicContact CE1-CG2 3.83Å; Y198-V202 WeakPolarHBondContact O-CG2 3.46Å; Y198-V202 PolarHBondContact O-N 2.96Å; Y198-I254 HydrophobicContact CE2-CG2 3.99Å; Y198-V257 HydrophobicContact CD2-CB 4.44Å; Y198-V257 HydrophobicContact CD2-CG1 3.88Å; Y198-V257 HydrophobicContact CG-CG1 4.37Å; Y198-E258 HydrophobicContact CD2-CG 4.36Å; Y198-E258 HydrophobicContact CE2-CG 3.54Å; Y198-E258 PolarHBondContact OH-OE1 3.47Å; Y198-L277 HydrophobicContact CD1-CB 3.84Å; Y198-L277 HydrophobicContact CD1-CD2 4.22Å; Y198-L277 HydrophobicContact CD1-CG 4.46Å; Y198-L277 WeakPolarHBondContact CD1-O 3.41Å; Y198-L277 HydrophobicContact CD2-CD1 4.11Å; Y198-L277 HydrophobicContact CE1-CB 3.81Å; Y198-L277 WeakPolarHBondContact CE1-O 3.29Å; Y198-L277 HydrophobicContact CE2-CD1 4.22Å; Y198-L277 HydrophobicContact CG-CB 4.27Å; Y198-L277 HydrophobicContact CG-CD1 4.32Å; Y198-L277 HydrophobicContact CG-CD2 3.96Å; Y198-L277 HydrophobicContact CG-CG 4.41Å |
| 199 | L | 79.5 | Confident | 83.1 | Confident | 29 Ų | 29 | 21.6 Ų | 21.6 | 15% | 0.152 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 174.4 | -171 | 66.4 | 0 | 0 | 0 | 110.9 | S195 E196 F197 L201 V202 L203 V279 I713 | S195-L199 PolarHBondContact O-N 3.36Å; E196-L199 WeakPolarHBondContact O-CB 3.44Å; E196-L199 PolarHBondContact O-N 2.95Å; F197-L199 VanDerWaalsContact C-N 3.26Å; F197-L199 PolarHBondContact O-N 2.8Å; L199-L201 VanDerWaalsContact C-N 3.28Å; L199-L201 PolarHBondContact O-N 3.34Å; L199-V202 PolarHBondContact O-N 3.35Å; L199-L203 HydrophobicContact CG-CD1 4.09Å; L199-L203 WeakPolarHBondContact O-CD1 3.44Å; L199-L203 WeakPolarHBondContact O-CG 3.29Å; L199-L203 PolarHBondContact O-N 3.2Å; L199-V279 HydrophobicContact CD1-CB 4.17Å; L199-V279 HydrophobicContact CD1-CG1 3.56Å; L199-V279 HydrophobicContact CD1-CG2 3.45Å; L199-V279 VanDerWaalsContact CD1-CG2 3.45Å; L199-I713 WeakPolarHBondContact CD1-O 3.07Å; L199-I713 WeakPolarHBondContact CD2-O 3.4Å |
| 200 | S | 83.1 | Confident | 84.1 | Confident | 24 Ų | 24 | 17.9 Ų | 17.9 | 17% | 0.168 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.2 | -36.1 | 179.2 | 74.2 | 0 | 0 | 0 | 0 | 113.9 | E196 F197 Y198 L204 | E196-S200 PolarHBondContact O-N 3.17Å; F197-S200 PolarHBondContact O-N 2.95Å; F197-S200 PolarHBondContact O-OG 2.91Å; Y198-S200 PolarHBondContact O-N 2.66Å; S200-L204 PolarHBondContact O-N 3.35Å; S200-L204 VanDerWaalsContact O-N 3.17Å |
| 201 | L | 89 | Confident | 84.8 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.5 | -45.1 | 175.9 | -61.3 | 171 | 0 | 0 | 0 | 112.4 | A80 F197 Y198 L199 L203 L204 Q205 V250 L253 I254 V257 | A80-L201 HydrophobicContact CB-CD2 3.86Å; F197-L201 HydrophobicContact CD1-CD1 4.19Å; F197-L201 HydrophobicContact CE1-CD1 3.68Å; F197-L201 HydrophobicContact CE1-CD2 4.46Å; F197-L201 HydrophobicContact CE1-CG 4.2Å; F197-L201 HydrophobicContact CE2-CD2 4.27Å; F197-L201 HydrophobicContact CE2-CG 4.34Å; F197-L201 HydrophobicContact CZ-CD1 3.94Å; F197-L201 HydrophobicContact CZ-CD2 3.87Å; F197-L201 HydrophobicContact CZ-CG 4Å; F197-L201 PolarHBondContact O-N 3.43Å; F197-L201 VanDerWaalsContact O-N 3.11Å; Y198-L201 PolarHBondContact O-N 3.02Å; L199-L201 VanDerWaalsContact C-N 3.28Å; L199-L201 PolarHBondContact O-N 3.34Å; L201-L203 PolarHBondContact O-N 3.37Å; L201-L204 PolarHBondContact O-N 2.96Å; L201-L204 VanDerWaalsContact O-N 3.11Å; L201-Q205 PolarHBondContact O-N 3.14Å; L201-V250 WeakPolarHBondContact O-CG1 3.3Å; L201-L253 HydrophobicContact CD1-CB 3.77Å; L201-L253 HydrophobicContact CD2-CB 3.9Å; L201-L253 HydrophobicContact CD2-CD1 3.82Å; L201-L253 HydrophobicContact CG-CB 4.5Å; L201-I254 HydrophobicContact CB-CD1 4.05Å; L201-I254 HydrophobicContact CB-CG1 3.55Å; L201-I254 HydrophobicContact CD1-CG1 4.04Å; L201-I254 HydrophobicContact CG-CG1 4.43Å; L201-V257 HydrophobicContact CD1-CG2 4.1Å |
| 202 | V | 86.3 | Confident | 85.5 | Confident | 8 Ų | 8 | 18.3 Ų | 18.3 | 5% | 0.048 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.5 | -35.7 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | Y198 L199 N206 I254 | Y198-V202 HydrophobicContact CD1-CG2 4.15Å; Y198-V202 HydrophobicContact CE1-CG2 3.83Å; Y198-V202 WeakPolarHBondContact O-CG2 3.46Å; Y198-V202 PolarHBondContact O-N 2.96Å; L199-V202 PolarHBondContact O-N 3.35Å; V202-N206 PolarHBondContact O-N 2.72Å; V202-N206 VanDerWaalsContact O-N 3.11Å; V202-N206 PolarHBondContact O-ND2 3.18Å; V202-I254 HydrophobicContact CG2-CD1 4.34Å |
| 203 | L | 83.7 | Confident | 86.6 | Confident | 6 Ų | 6 | 17.7 Ų | 17.7 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 175.5 | -65 | 166 | 0 | 0 | 0 | 112 | W15 L199 L201 Q205 N206 Y207 I713 I715 | W15-L203 HydrophobicContact CH2-CB 3.52Å; W15-L203 HydrophobicContact CZ2-CB 4.35Å; W15-L203 HydrophobicContact CZ3-CB 3.91Å; L199-L203 HydrophobicContact CG-CD1 4.09Å; L199-L203 WeakPolarHBondContact O-CD1 3.44Å; L199-L203 WeakPolarHBondContact O-CG 3.29Å; L199-L203 PolarHBondContact O-N 3.2Å; L201-L203 PolarHBondContact O-N 3.37Å; L203-Q205 PolarHBondContact O-N 3.48Å; L203-N206 PolarHBondContact O-N 3.12Å; L203-Y207 WeakPolarHBondContact O-CB 3.16Å; L203-Y207 PolarHBondContact O-N 3.07Å; L203-I713 HydrophobicContact CD1-CB 3.69Å; L203-I713 HydrophobicContact CD1-CD1 3.77Å; L203-I713 HydrophobicContact CD1-CG1 4.36Å; L203-I713 HydrophobicContact CD1-CG2 4.35Å; L203-I713 HydrophobicContact CD2-CB 3.68Å; L203-I713 HydrophobicContact CD2-CG2 3.41Å; L203-I713 VanDerWaalsContact CD2-CG2 3.41Å; L203-I713 HydrophobicContact CG-CB 4.32Å; L203-I713 HydrophobicContact CG-CG2 4.49Å; L203-I715 HydrophobicContact CD2-CB 4.16Å; L203-I715 HydrophobicContact CD2-CD1 3.56Å; L203-I715 HydrophobicContact CD2-CG1 3.52Å |
| 204 | L | 89.7 | Confident | 87.6 | Confident | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.1 | -39.1 | 177.6 | -170.7 | 56.2 | 0 | 0 | 0 | 112.3 | W15 F73 K76 I77 S200 L201 N206 Y207 Q208 V250 | W15-L204 HydrophobicContact CH2-CB 4.46Å; F73-L204 HydrophobicContact CD2-CD1 3.61Å; F73-L204 HydrophobicContact CD2-CG 4.11Å; F73-L204 HydrophobicContact CE2-CD1 3.98Å; F73-L204 HydrophobicContact CE2-CG 3.94Å; F73-L204 HydrophobicContact CG-CD1 4.44Å; K76-L204 HydrophobicContact CB-CD1 3.73Å; K76-L204 HydrophobicContact CB-CD2 3.93Å; K76-L204 HydrophobicContact CB-CG 4.48Å; K76-L204 HydrophobicContact CG-CD1 4.42Å; I77-L204 HydrophobicContact CB-CD2 4.28Å; I77-L204 HydrophobicContact CD1-CD2 4.19Å; S200-L204 PolarHBondContact O-N 3.35Å; S200-L204 VanDerWaalsContact O-N 3.17Å; L201-L204 PolarHBondContact O-N 2.96Å; L201-L204 VanDerWaalsContact O-N 3.11Å; L204-N206 PolarHBondContact O-N 2.94Å; L204-Y207 HydrophobicContact CD1-CD1 4.34Å; L204-Y207 WeakPolarHBondContact O-CB 3.38Å; L204-Y207 PolarHBondContact O-N 3.48Å; L204-Q208 PolarHBondContact O-N 3.5Å; L204-V250 HydrophobicContact CB-CG1 4.26Å; L204-V250 HydrophobicContact CD2-CG2 3.88Å; L204-V250 HydrophobicContact CG-CG1 4.49Å; L204-V250 HydrophobicContact CG-CG2 3.97Å |
| 205 | Q | 90.1 | Very high | 88.2 | Confident | 19 Ų | 19 | 16.3 Ų | 16.3 | 9% | 0.089 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 173.2 | -174.3 | -175.8 | 81.2 | 0 | 0 | 112.4 | L201 L203 S209 V250 D251 I254 K720 | L201-Q205 PolarHBondContact O-N 3.14Å; L203-Q205 PolarHBondContact O-N 3.48Å; Q205-S209 WeakPolarHBondContact O-CB 3.4Å; Q205-S209 PolarHBondContact O-N 2.91Å; Q205-S209 PolarHBondContact O-OG 3.11Å; Q205-V250 HydrophobicContact CB-CG1 3.85Å; Q205-D251 PolarHBondContact NE2-OD1 3.47Å; Q205-I254 HydrophobicContact CB-CD1 4.29Å; Q205-K720 VanDerWaalsContact NE2-CE 3.31Å |
| 206 | N | 87.5 | Confident | 89 | Confident | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -73.7 | -34.7 | 176.1 | -78.6 | -74.2 | 0 | 0 | 0 | 112.2 | V202 L203 L204 S209 L210 I715 | V202-N206 PolarHBondContact O-N 2.72Å; V202-N206 VanDerWaalsContact O-N 3.11Å; V202-N206 PolarHBondContact O-ND2 3.18Å; L203-N206 PolarHBondContact O-N 3.12Å; L204-N206 PolarHBondContact O-N 2.94Å; N206-S209 PolarHBondContact O-N 3.44Å; N206-L210 VanDerWaalsContact O-CB 3.27Å; N206-L210 WeakPolarHBondContact O-CB 3.4Å; N206-L210 VanDerWaalsContact O-CG 3.25Å; N206-L210 WeakPolarHBondContact O-CG 3.26Å; N206-L210 PolarHBondContact O-N 3.36Å; N206-I715 HydrophobicContact CB-CB 4.26Å; N206-I715 HydrophobicContact CB-CD1 3.73Å; N206-I715 HydrophobicContact CB-CG2 3.75Å; N206-I715 WeakPolarHBondContact OD1-CG2 3.28Å |
| 207 | Y | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.6 | -51.3 | 171.7 | 172.3 | -89.4 | 0 | 0 | 0 | 111.5 | W15 Q18 Y19 I69 F72 F73 L203 L204 S209 L210 N211 | W15-Y207 AromaticContact CE3-CD2 3.95Å; W15-Y207 HydrophobicContact CE3-CD2 3.95Å; W15-Y207 HydrophobicContact CE3-CG 4.19Å; W15-Y207 HydrophobicContact CZ3-CG 4.39Å; Q18-Y207 HydrophobicContact CB-CE2 4.09Å; Q18-Y207 WeakPolarHBondContact O-CE2 3.26Å; Q18-Y207 PolarHBondContact O-OH 2.93Å; Y19-Y207 HydrophobicContact CD1-CD2 4.01Å; Y19-Y207 HydrophobicContact CD1-CE2 4.3Å; Y19-Y207 HydrophobicContact CD2-CD2 4.29Å; Y19-Y207 HydrophobicContact CD2-CE2 4.37Å; Y19-Y207 AromaticContact CE1-CD2 3.64Å; Y19-Y207 HydrophobicContact CE1-CD2 3.64Å; Y19-Y207 HydrophobicContact CE1-CE2 4.38Å; Y19-Y207 HydrophobicContact CE1-CG 4.34Å; Y19-Y207 AromaticContact CE2-CD2 3.94Å; Y19-Y207 HydrophobicContact CE2-CD2 3.94Å; Y19-Y207 HydrophobicContact CE2-CE2 4.42Å; Y19-Y207 HydrophobicContact CG-CD2 4.32Å; Y19-Y207 HydrophobicContact CG-CE2 4.29Å; Y19-Y207 AromaticContact CZ-CD2 3.59Å; I69-Y207 WeakPolarHBondContact CA-OH 3.38Å; I69-Y207 HydrophobicContact CG2-CE1 4.06Å; F72-Y207 HydrophobicContact CD1-CD1 4.49Å; F72-Y207 HydrophobicContact CD1-CD2 4.48Å; F72-Y207 AromaticContact CD1-CE1 3.81Å; F72-Y207 HydrophobicContact CD1-CE1 3.81Å; F72-Y207 AromaticContact CD1-CE2 3.8Å; F72-Y207 HydrophobicContact CD1-CE2 3.8Å; F72-Y207 AromaticContact CD1-CZ 3.41Å; F72-Y207 VanDerWaalsContact CD1-CZ 3.41Å; F72-Y207 WeakPolarHBondContact CD1-OH 3.04Å; F72-Y207 HydrophobicContact CE1-CD2 4.28Å; F72-Y207 HydrophobicContact CE1-CE1 4.39Å; F72-Y207 AromaticContact CE1-CE2 3.96Å; F72-Y207 HydrophobicContact CE1-CE2 3.96Å; F73-Y207 HydrophobicContact CB-CE1 4.27Å; F73-Y207 HydrophobicContact CD2-CD1 4.34Å; L203-Y207 WeakPolarHBondContact O-CB 3.16Å; L203-Y207 PolarHBondContact O-N 3.07Å; L204-Y207 HydrophobicContact CD1-CD1 4.34Å; L204-Y207 WeakPolarHBondContact O-CB 3.38Å; L204-Y207 PolarHBondContact O-N 3.48Å; Y207-S209 PolarHBondContact O-N 3.14Å; Y207-L210 PolarHBondContact O-N 3.41Å; Y207-N211 WeakPolarHBondContact CD2-ND2 3.22Å; Y207-N211 WeakPolarHBondContact CE1-ND2 3.39Å; Y207-N211 WeakPolarHBondContact CE2-ND2 3.49Å; Y207-N211 WeakPolarHBondContact O-CB 3.47Å; Y207-N211 PolarHBondContact O-N 3.45Å; Y207-N211 PolarHBondContact O-ND2 3.43Å; Y207-N211 VanDerWaalsContact O-ND2 3.17Å |
| 208 | Q | 93 | Very high | 90.5 | Very high | 20 Ų | 20 | 20.6 Ų | 20.6 | 9% | 0.093 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -50.5 | -54.3 | 170.7 | 162.6 | -177.7 | 79 | 0 | 0 | 111.3 | F73 L204 L210 N211 F212 F244 S247 | F73-Q208 HydrophobicContact CD2-CB 4.5Å; F73-Q208 HydrophobicContact CE2-CB 4.01Å; L204-Q208 PolarHBondContact O-N 3.5Å; Q208-L210 PolarHBondContact O-N 2.88Å; Q208-N211 PolarHBondContact O-N 3.44Å; Q208-F212 WeakPolarHBondContact O-CB 3.34Å; Q208-F212 PolarHBondContact O-N 3.21Å; Q208-F244 VanDerWaalsContact CG-O 3.25Å; Q208-F244 WeakPolarHBondContact CG-O 3.34Å; Q208-F244 PolarHBondContact NE2-O 3.08Å; Q208-S247 PolarHBondContact NE2-O 3.05Å |
| 209 | S | 91.3 | Very high | 91 | Very high | 35 Ų | 35 | 19.3 Ų | 19.3 | 25% | 0.245 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.1 | -37.5 | -176.6 | -61.5 | 0 | 0 | 0 | 0 | 113.8 | Q205 N206 Y207 T213 | Q205-S209 WeakPolarHBondContact O-CB 3.4Å; Q205-S209 PolarHBondContact O-N 2.91Å; Q205-S209 PolarHBondContact O-OG 3.11Å; N206-S209 PolarHBondContact O-N 3.44Å; Y207-S209 PolarHBondContact O-N 3.14Å; S209-T213 VanDerWaalsContact O-CB 3.23Å; S209-T213 WeakPolarHBondContact O-CB 3.41Å; S209-T213 PolarHBondContact O-N 3.35Å; S209-T213 VanDerWaalsContact O-N 3.17Å; S209-T213 PolarHBondContact O-OG1 3.49Å |
| 210 | L | 91.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.6 | -45.7 | 178.9 | -77.4 | 169.5 | 0 | 0 | 0 | 111.6 | L7 H10 Y19 N206 Y207 Q208 T213 G214 | L7-L210 HydrophobicContact CD1-CB 4.16Å; L7-L210 HydrophobicContact CD1-CD2 4.32Å; H10-L210 HydrophobicContact CB-CD1 4.02Å; H10-L210 HydrophobicContact CB-CD2 4.17Å; H10-L210 WeakPolarHBondContact O-CD1 3.5Å; Y19-L210 HydrophobicContact CD1-CB 4.37Å; Y19-L210 HydrophobicContact CE1-CB 3.97Å; Y19-L210 HydrophobicContact CE1-CD1 3.8Å; N206-L210 VanDerWaalsContact O-CB 3.27Å; N206-L210 WeakPolarHBondContact O-CB 3.4Å; N206-L210 VanDerWaalsContact O-CG 3.25Å; N206-L210 WeakPolarHBondContact O-CG 3.26Å; N206-L210 PolarHBondContact O-N 3.36Å; Y207-L210 PolarHBondContact O-N 3.41Å; Q208-L210 PolarHBondContact O-N 2.88Å; L210-T213 CarbonylContact O-C 3.57Å; L210-T213 PolarHBondContact O-N 3.41Å; L210-G214 PolarHBondContact O-N 2.81Å |
| 211 | N | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.9 | -44.8 | -179.9 | -75.7 | -40.5 | 0 | 0 | 0 | 112.1 | Y19 I20 I69 Y207 Q208 T213 G214 F215 F244 | Y19-N211 WeakPolarHBondContact CA-OD1 3.3Å; Y19-N211 WeakPolarHBondContact CD1-OD1 3.31Å; I20-N211 PolarHBondContact N-OD1 2.99Å; I69-N211 HydrophobicContact CD1-CB 4.1Å; I69-N211 HydrophobicContact CG2-CB 4.12Å; Y207-N211 WeakPolarHBondContact CD2-ND2 3.22Å; Y207-N211 WeakPolarHBondContact CE1-ND2 3.39Å; Y207-N211 WeakPolarHBondContact CE2-ND2 3.49Å; Y207-N211 WeakPolarHBondContact O-CB 3.47Å; Y207-N211 PolarHBondContact O-N 3.45Å; Y207-N211 PolarHBondContact O-ND2 3.43Å; Y207-N211 VanDerWaalsContact O-ND2 3.17Å; Q208-N211 PolarHBondContact O-N 3.44Å; N211-T213 VanDerWaalsContact C-N 3.28Å; N211-T213 PolarHBondContact O-N 3.29Å; N211-G214 WeakPolarHBondContact O-CA 3.45Å; N211-G214 PolarHBondContact O-N 3.19Å; N211-F215 WeakPolarHBondContact O-CD2 3.13Å; N211-F215 PolarHBondContact O-N 3.45Å; N211-F244 HydrophobicContact CB-CE2 3.98Å |
| 212 | F | 95 | Very high | 92.6 | Very high | 42 Ų | 42 | 25.7 Ų | 25.7 | 18% | 0.184 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 172.4 | 179.5 | -102.8 | 0 | 0 | 0 | 111.7 | Q208 G214 R216 V239 E240 F244 N245 | Q208-F212 WeakPolarHBondContact O-CB 3.34Å; Q208-F212 PolarHBondContact O-N 3.21Å; F212-G214 VanDerWaalsContact C-N 3.29Å; F212-G214 PolarHBondContact O-N 2.94Å; F212-R216 VanDerWaalsContact O-CB 3.23Å; F212-R216 WeakPolarHBondContact O-CB 3.35Å; F212-R216 PolarHBondContact O-N 3.38Å; F212-V239 HydrophobicContact CD2-CG1 3.92Å; F212-V239 HydrophobicContact CE2-CG1 4.17Å; F212-E240 HydrophobicContact CE2-CG 3.78Å; F212-E240 HydrophobicContact CZ-CG 4.02Å; F212-F244 HydrophobicContact CB-CE2 4.13Å; F212-F244 HydrophobicContact CB-CZ 4.29Å; F212-N245 HydrophobicContact CD2-CB 4.24Å; F212-N245 WeakPolarHBondContact CD2-OD1 3.47Å; F212-N245 WeakPolarHBondContact CG-OD1 3.45Å |
| 213 | T | 93.6 | Very high | 93 | Very high | 34 Ų | 34 | 26.7 Ų | 26.7 | 21% | 0.209 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.5 | -32.4 | 174.5 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | F3 S209 L210 N211 K217 | F3-T213 HydrophobicContact CD2-CG2 4.35Å; F3-T213 HydrophobicContact CE2-CG2 3.59Å; F3-T213 HydrophobicContact CZ-CG2 3.98Å; S209-T213 VanDerWaalsContact O-CB 3.23Å; S209-T213 WeakPolarHBondContact O-CB 3.41Å; S209-T213 PolarHBondContact O-N 3.35Å; S209-T213 VanDerWaalsContact O-N 3.17Å; S209-T213 PolarHBondContact O-OG1 3.49Å; L210-T213 CarbonylContact O-C 3.57Å; L210-T213 PolarHBondContact O-N 3.41Å; N211-T213 VanDerWaalsContact C-N 3.28Å; N211-T213 PolarHBondContact O-N 3.29Å; T213-K217 HydrophobicContact CG2-CD 3.99Å; T213-K217 VanDerWaalsContact O-CB 3.27Å; T213-K217 WeakPolarHBondContact O-CB 3.37Å; T213-K217 WeakPolarHBondContact O-CD 3.26Å; T213-K217 WeakPolarHBondContact O-CG 3.39Å; T213-K217 PolarHBondContact O-N 3.42Å; T213-K217 VanDerWaalsContact O-N 3.17Å |
| 214 | G | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.6 | -56.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L210 N211 F212 R216 K217 I218 | L210-G214 PolarHBondContact O-N 2.81Å; N211-G214 WeakPolarHBondContact O-CA 3.45Å; N211-G214 PolarHBondContact O-N 3.19Å; F212-G214 VanDerWaalsContact C-N 3.29Å; F212-G214 PolarHBondContact O-N 2.94Å; G214-R216 PolarHBondContact O-N 3.05Å; G214-K217 CarbonylContact O-C 3.49Å; G214-K217 WeakPolarHBondContact O-CA 3.38Å; G214-K217 PolarHBondContact O-N 3.39Å; G214-I218 PolarHBondContact O-N 2.8Å |
| 215 | F | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.1 | -51.7 | 174.7 | -79.7 | -65.6 | 0 | 0 | 0 | 111.7 | I20 A65 L66 I69 N211 K217 I218 L219 W234 V239 F244 | I20-F215 HydrophobicContact CD1-CB 4.48Å; I20-F215 HydrophobicContact CD1-CD1 3.63Å; I20-F215 HydrophobicContact CD1-CD2 4.19Å; I20-F215 HydrophobicContact CD1-CE1 3.75Å; I20-F215 HydrophobicContact CD1-CE2 4.31Å; I20-F215 HydrophobicContact CD1-CG 3.84Å; I20-F215 HydrophobicContact CD1-CZ 4.08Å; I20-F215 HydrophobicContact CG1-CE1 4.48Å; I20-F215 HydrophobicContact CG1-CZ 4.5Å; A65-F215 HydrophobicContact CB-CE1 4.45Å; A65-F215 HydrophobicContact CB-CZ 4.28Å; L66-F215 HydrophobicContact CB-CE1 4.38Å; L66-F215 HydrophobicContact CB-CE2 4.46Å; L66-F215 HydrophobicContact CB-CZ 3.79Å; L66-F215 HydrophobicContact CD1-CE2 4Å; L66-F215 HydrophobicContact CD1-CZ 4.18Å; I69-F215 HydrophobicContact CD1-CE2 3.55Å; I69-F215 HydrophobicContact CD1-CZ 3.86Å; N211-F215 WeakPolarHBondContact O-CD2 3.13Å; N211-F215 PolarHBondContact O-N 3.45Å; F215-K217 PolarHBondContact O-N 2.86Å; F215-I218 PolarHBondContact O-N 3.47Å; F215-I218 VanDerWaalsContact O-N 3.11Å; F215-L219 HydrophobicContact CB-CD1 4.22Å; F215-L219 WeakPolarHBondContact O-CB 3.29Å; F215-L219 WeakPolarHBondContact O-CD1 3.38Å; F215-L219 VanDerWaalsContact O-CG 3.32Å; F215-L219 WeakPolarHBondContact O-CG 3.42Å; F215-L219 PolarHBondContact O-N 3.14Å; F215-W234 HydrophobicContact CD1-CZ3 4.4Å; F215-V239 HydrophobicContact CB-CG1 3.7Å; F215-V239 HydrophobicContact CB-CG2 4.18Å; F215-V239 HydrophobicContact CD1-CG2 4.22Å; F215-V239 HydrophobicContact CD2-CG1 4.04Å; F215-V239 HydrophobicContact CG-CG1 3.98Å; F215-V239 HydrophobicContact CG-CG2 4.12Å; F215-F244 HydrophobicContact CD2-CZ 4.12Å; F215-F244 HydrophobicContact CE2-CE1 4.5Å; F215-F244 HydrophobicContact CE2-CZ 4.31Å |
| 216 | R | 95.2 | Very high | 93.6 | Very high | 99 Ų | 99 | 36.4 Ų | 36.4 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.7 | -24.8 | 177.4 | -171.6 | -176.7 | 64.5 | 80.1 | -5.3 | 113.7 | F212 G214 K220 | F212-R216 VanDerWaalsContact O-CB 3.23Å; F212-R216 WeakPolarHBondContact O-CB 3.35Å; F212-R216 PolarHBondContact O-N 3.38Å; G214-R216 PolarHBondContact O-N 3.05Å; R216-K220 WeakPolarHBondContact O-CB 3.35Å; R216-K220 PolarHBondContact O-N 3.46Å |
| 217 | K | 95.1 | Very high | 93.7 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 34% | 0.335 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -94 | -24.8 | 177.7 | -80.3 | 178.3 | 170.8 | -67.3 | 0 | 114.6 | F3 Y22 T213 G214 F215 K221 | F3-K217 HydrophobicContact CB-CD 3.79Å; F3-K217 HydrophobicContact CD1-CB 4.46Å; F3-K217 HydrophobicContact CD1-CD 3.6Å; F3-K217 HydrophobicContact CD2-CD 3.44Å; F3-K217 VanDerWaalsContact CD2-CD 3.44Å; F3-K217 HydrophobicContact CE1-CD 4.03Å; F3-K217 HydrophobicContact CE2-CD 3.88Å; F3-K217 HydrophobicContact CG-CD 3.27Å; F3-K217 HydrophobicContact CZ-CD 4.15Å; Y22-K217 HydrophobicContact CE2-CB 3.79Å; Y22-K217 PolarHBondContact OH-O 2.99Å; T213-K217 HydrophobicContact CG2-CD 3.99Å; T213-K217 VanDerWaalsContact O-CB 3.27Å; T213-K217 WeakPolarHBondContact O-CB 3.37Å; T213-K217 WeakPolarHBondContact O-CD 3.26Å; T213-K217 WeakPolarHBondContact O-CG 3.39Å; T213-K217 PolarHBondContact O-N 3.42Å; T213-K217 VanDerWaalsContact O-N 3.17Å; G214-K217 CarbonylContact O-C 3.49Å; G214-K217 WeakPolarHBondContact O-CA 3.38Å; G214-K217 PolarHBondContact O-N 3.39Å; F215-K217 PolarHBondContact O-N 2.86Å; K217-K221 WeakPolarHBondContact O-CB 3.28Å; K217-K221 PolarHBondContact O-N 2.67Å |
| 218 | I | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83.6 | -38.3 | 175.1 | -153.6 | 74.8 | 0 | 0 | 0 | 109.9 | I20 Y22 L25 K26 L29 F58 G214 F215 K221 H222 | I20-I218 HydrophobicContact CD1-CG2 4.21Å; Y22-I218 HydrophobicContact CD2-CB 4.16Å; Y22-I218 HydrophobicContact CD2-CD1 4.02Å; Y22-I218 HydrophobicContact CE2-CB 3.83Å; Y22-I218 HydrophobicContact CE2-CD1 3.74Å; Y22-I218 HydrophobicContact CE2-CG1 4.37Å; L25-I218 HydrophobicContact CB-CD1 4.06Å; L25-I218 HydrophobicContact CB-CG1 3.82Å; L25-I218 HydrophobicContact CD1-CG1 4.49Å; L25-I218 HydrophobicContact CD1-CG2 4.4Å; K26-I218 HydrophobicContact CB-CD1 3.93Å; L29-I218 HydrophobicContact CD1-CD1 4.15Å; L29-I218 HydrophobicContact CD1-CG1 4.08Å; F58-I218 HydrophobicContact CE2-CG1 4.4Å; F58-I218 HydrophobicContact CZ-CG1 3.94Å; F58-I218 HydrophobicContact CZ-CG2 4.26Å; G214-I218 PolarHBondContact O-N 2.8Å; F215-I218 PolarHBondContact O-N 3.47Å; F215-I218 VanDerWaalsContact O-N 3.11Å; I218-K221 HydrophobicContact CD1-CD 4.17Å; I218-K221 CarbonylContact O-C 3.55Å; I218-K221 WeakPolarHBondContact O-CA 3.46Å; I218-K221 VanDerWaalsContact O-CB 3.23Å; I218-K221 WeakPolarHBondContact O-CB 3.46Å; I218-K221 PolarHBondContact O-N 3.08Å; I218-H222 PolarHBondContact O-N 3.12Å |
| 219 | L | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -44.8 | 174.7 | -64.7 | 161.8 | 0 | 0 | 0 | 111.2 | F58 F59 F215 K221 H222 D223 W234 R235 V239 | F58-L219 HydrophobicContact CE1-CD2 4.17Å; F59-L219 HydrophobicContact CD1-CD2 4.41Å; F59-L219 HydrophobicContact CE1-CD2 3.83Å; F215-L219 HydrophobicContact CB-CD1 4.22Å; F215-L219 WeakPolarHBondContact O-CB 3.29Å; F215-L219 WeakPolarHBondContact O-CD1 3.38Å; F215-L219 VanDerWaalsContact O-CG 3.32Å; F215-L219 WeakPolarHBondContact O-CG 3.42Å; F215-L219 PolarHBondContact O-N 3.14Å; L219-K221 PolarHBondContact O-N 2.91Å; L219-K221 VanDerWaalsContact O-N 3.1Å; L219-H222 WeakPolarHBondContact O-CB 3.49Å; L219-H222 PolarHBondContact O-N 2.79Å; L219-D223 PolarHBondContact O-N 3.19Å; L219-W234 HydrophobicContact CD1-CE3 3.84Å; L219-W234 HydrophobicContact CD1-CZ3 4.19Å; L219-W234 HydrophobicContact CD2-CE3 3.89Å; L219-R235 HydrophobicContact CD1-CB 3.69Å; L219-R235 HydrophobicContact CD1-CG 3.8Å; L219-V239 HydrophobicContact CD1-CG2 4.02Å |
| 220 | K | 95.5 | Very high | 93.7 | Very high | 153 Ų | 153 | 54 Ų | 54 | 67% | 0.665 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.8 | -10.6 | 169.6 | -176.3 | 155.7 | -176.4 | 157.4 | 0 | 113.8 | R216 | R216-K220 WeakPolarHBondContact O-CB 3.35Å; R216-K220 PolarHBondContact O-N 3.46Å |
| 221 | K | 94 | Very high | 93.8 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 15% | 0.148 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -87.2 | -44.3 | 172.2 | -173.5 | -178.1 | -154.1 | -70.6 | 0 | 111 | K26 L29 Y30 K217 I218 L219 K224 L225 | K26-K221 HydrophobicContact CG-CD 4.21Å; L29-K221 HydrophobicContact CD1-CB 4.2Å; L29-K221 HydrophobicContact CD1-CD 4.08Å; L29-K221 HydrophobicContact CD1-CG 4.06Å; Y30-K221 PolarHBondContact OH-NZ 3.02Å; Y30-K221 VanDerWaalsContact OH-NZ 3.14Å; K217-K221 WeakPolarHBondContact O-CB 3.28Å; K217-K221 PolarHBondContact O-N 2.67Å; I218-K221 HydrophobicContact CD1-CD 4.17Å; I218-K221 CarbonylContact O-C 3.55Å; I218-K221 WeakPolarHBondContact O-CA 3.46Å; I218-K221 VanDerWaalsContact O-CB 3.23Å; I218-K221 WeakPolarHBondContact O-CB 3.46Å; I218-K221 PolarHBondContact O-N 3.08Å; L219-K221 PolarHBondContact O-N 2.91Å; L219-K221 VanDerWaalsContact O-N 3.1Å; K221-K224 PolarHBondContact O-N 2.94Å; K221-L225 HydrophobicContact CG-CD1 4.07Å; K221-L225 WeakPolarHBondContact O-CG 3.4Å; K221-L225 PolarHBondContact O-N 2.65Å |
| 222 | H | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -50.7 | -59.1 | 169.6 | 173 | -82.6 | 0 | 0 | 0 | 110.4 | L29 D55 F58 F59 I218 L219 K224 L225 L226 T230 | L29-H222 HydrophobicContact CD1-CB 4.23Å; L29-H222 HydrophobicContact CD2-CB 3.9Å; D55-H222 IonicContact OD1-CE1 2.72Å; D55-H222 PolarHBondContact OD1-CE1 2.82Å; D55-H222 IonicContact OD1-NE2 3.43Å; D55-H222 PolarHBondContact OD1-NE2 2.96Å; F58-H222 HydrophobicContact CD1-CB 4.4Å; F58-H222 AromaticContact CD1-CD2 3.15Å; F58-H222 WeakPolarHBondContact CD1-CD2 3.24Å; F58-H222 AromaticContact CD1-CG 3.97Å; F58-H222 AromaticContact CD1-NE2 3.73Å; F58-H222 HydrophobicContact CE1-CB 3.84Å; F58-H222 AromaticContact CE1-CD2 3.51Å; F58-H222 AromaticContact CE1-CG 3.89Å; F58-H222 AromaticContact CG-CD2 3.72Å; F58-H222 HydrophobicContact CZ-CB 4.25Å; F59-H222 AromaticContact CZ-CE1 3.7Å; F59-H222 AromaticContact CZ-NE2 3.9Å; I218-H222 PolarHBondContact O-N 3.12Å; L219-H222 WeakPolarHBondContact O-CB 3.49Å; L219-H222 PolarHBondContact O-N 2.79Å; H222-K224 PolarHBondContact O-N 3.17Å; H222-K224 VanDerWaalsContact O-N 3.13Å; H222-L225 PolarHBondContact O-N 3.21Å; H222-L226 PolarHBondContact O-N 2.99Å; H222-T230 PolarHBondContact CE1-OG1 2.93Å |
| 223 | D | 95.1 | Very high | 93.7 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.6 | -39.4 | 178.5 | -61.5 | -18.8 | 0 | 0 | 0 | 112.8 | L219 R227 R228 G231 L232 | L219-D223 PolarHBondContact O-N 3.19Å; D223-R227 CarbonylContact O-C 3.59Å; D223-R227 VanDerWaalsContact O-CA 3.23Å; D223-R227 WeakPolarHBondContact O-CA 3.2Å; D223-R227 PolarHBondContact O-N 3.35Å; D223-R227 VanDerWaalsContact O-N 3.15Å; D223-R228 WeakPolarHBondContact CA-O 3.44Å; D223-R228 VanDerWaalsContact CB-O 3.24Å; D223-R228 WeakPolarHBondContact CB-O 3.48Å; D223-R228 PolarHBondContact O-N 2.88Å; D223-G231 WeakPolarHBondContact OD1-CA 3.25Å; D223-G231 PolarHBondContact OD1-N 3.33Å; D223-L232 PolarHBondContact OD1-N 3.08Å; D223-L232 PolarHBondContact OD2-N 3.46Å; D223-L232 VanDerWaalsContact OD2-N 3.14Å |
| 224 | K | 93.6 | Very high | 93.8 | Very high | 175 Ų | 175 | 58.4 Ų | 58.4 | 76% | 0.761 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -77.2 | -30.2 | -179.9 | 179.2 | 162.3 | -179.1 | 162.6 | 0 | 113.7 | K221 H222 | K221-K224 PolarHBondContact O-N 2.94Å; H222-K224 PolarHBondContact O-N 3.17Å; H222-K224 VanDerWaalsContact O-N 3.13Å |
| 225 | L | 91.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 60 Ų | 60 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -84.4 | -52.7 | -179.4 | -72.9 | 176.4 | 0 | 0 | 0 | 111.2 | L29 Y30 K221 H222 R227 | L29-L225 HydrophobicContact CB-CD1 3.94Å; Y30-L225 HydrophobicContact CD1-CD1 4.27Å; Y30-L225 HydrophobicContact CE1-CD1 4.23Å; K221-L225 HydrophobicContact CG-CD1 4.07Å; K221-L225 WeakPolarHBondContact O-CG 3.4Å; K221-L225 PolarHBondContact O-N 2.65Å; H222-L225 PolarHBondContact O-N 3.21Å; L225-R227 PolarHBondContact O-N 3.49Å |
| 226 | L | 90.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -80.4 | -2.5 | -179.4 | -54.9 | -171 | 0 | 0 | 0 | 113.2 | L51 C54 H222 R228 | L51-L226 HydrophobicContact CD2-CB 4.19Å; L51-L226 HydrophobicContact CD2-CD2 4.08Å; L51-L226 HydrophobicContact CD2-CG 4.48Å; C54-L226 HydrophobicContact CB-CD1 4.31Å; H222-L226 PolarHBondContact O-N 2.99Å; L226-R228 PolarHBondContact O-N 3.05Å |
| 227 | R | 88.9 | Confident | 93.7 | Very high | 235 Ų | 235 | 66.2 Ų | 66.2 | 89% | 0.887 | 30% | 0.299 | S | S | * | . | trans | 57.8 | 25.9 | -179.6 | -51.4 | -175 | -175.1 | -170.1 | 4 | 114.5 | D223 L225 | D223-R227 CarbonylContact O-C 3.59Å; D223-R227 VanDerWaalsContact O-CA 3.23Å; D223-R227 WeakPolarHBondContact O-CA 3.2Å; D223-R227 PolarHBondContact O-N 3.35Å; D223-R227 VanDerWaalsContact O-N 3.15Å; L225-R227 PolarHBondContact O-N 3.49Å | ||
| 228 | R | 88.6 | Confident | 93.7 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | trans | -105.6 | 168.9 | -179.4 | -71.1 | 162.1 | 69 | 98.5 | -0.8 | 111.3 | D52 D55 D223 L226 | D52-R228 IonicContact OD1-CZ 2.92Å; D52-R228 IonicContact OD1-NH1 3.51Å; D52-R228 PolarHBondContact OD1-NH1 3.11Å; D52-R228 IonicContact OD1-NH2 2.83Å; D52-R228 PolarHBondContact OD1-NH2 2.83Å; D55-R228 VanDerWaalsContact CG-NE 3.25Å; D55-R228 VanDerWaalsContact CG-NH2 3.29Å; D55-R228 IonicContact OD1-CZ 3.47Å; D55-R228 IonicContact OD1-NE 2.76Å; D55-R228 PolarHBondContact OD1-NE 2.83Å; D55-R228 IonicContact OD1-NH2 3.12Å; D55-R228 IonicContact OD2-CZ 3.85Å; D55-R228 VanDerWaalsContact OD2-CZ 3.28Å; D55-R228 IonicContact OD2-NE 3.98Å; D55-R228 PolarHBondContact OD2-NE 3.1Å; D55-R228 IonicContact OD2-NH2 2.68Å; D55-R228 PolarHBondContact OD2-NH2 2.95Å; D223-R228 WeakPolarHBondContact CA-O 3.44Å; D223-R228 VanDerWaalsContact CB-O 3.24Å; D223-R228 WeakPolarHBondContact CB-O 3.48Å; D223-R228 PolarHBondContact O-N 2.88Å; L226-R228 PolarHBondContact O-N 3.05Å | ||
| 229 | N | 92.9 | Very high | 93.6 | Very high | 100 Ų | 100 | 64.8 Ų | 64.8 | 54% | 0.535 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -110.8 | 3.7 | 175 | 66.6 | -8.9 | 0 | 0 | 0 | 113.2 | G231 L232 L233 | N229-G231 VanDerWaalsContact C-N 3.33Å; N229-G231 PolarHBondContact O-N 2.91Å; N229-L232 WeakPolarHBondContact O-CB 3.2Å; N229-L232 PolarHBondContact O-N 3.5Å; N229-L233 PolarHBondContact O-N 3.17Å; N229-L233 VanDerWaalsContact O-N 3.16Å |
| 230 | T | 93.9 | Very high | 93.5 | Very high | 32 Ų | 32 | 68 Ų | 68 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -32.1 | -174.1 | 45.4 | 0 | 0 | 0 | 0 | 112.7 | D55 H222 L233 W234 | D55-T230 WeakPolarHBondContact OD2-CB 3.33Å; D55-T230 VanDerWaalsContact OD2-CG2 3.3Å; D55-T230 WeakPolarHBondContact OD2-CG2 3.47Å; D55-T230 PolarHBondContact OD2-OG1 2.68Å; H222-T230 PolarHBondContact CE1-OG1 2.93Å; T230-L233 PolarHBondContact O-N 2.85Å; T230-W234 WeakPolarHBondContact O-CB 3.49Å; T230-W234 PolarHBondContact O-N 3.15Å |
| 231 | G | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.5 | -32.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D223 N229 R235 | D223-G231 WeakPolarHBondContact OD1-CA 3.25Å; D223-G231 PolarHBondContact OD1-N 3.33Å; N229-G231 VanDerWaalsContact C-N 3.33Å; N229-G231 PolarHBondContact O-N 2.91Å; G231-R235 WeakPolarHBondContact O-CB 3.29Å; G231-R235 PolarHBondContact O-N 3.05Å |
| 232 | L | 94.7 | Very high | 93.3 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 169 | 168 | 61.7 | 0 | 0 | 0 | 111.2 | D223 N229 R235 Q236 | D223-L232 PolarHBondContact OD1-N 3.08Å; D223-L232 PolarHBondContact OD2-N 3.46Å; D223-L232 VanDerWaalsContact OD2-N 3.14Å; N229-L232 WeakPolarHBondContact O-CB 3.2Å; N229-L232 PolarHBondContact O-N 3.5Å; L232-R235 WeakPolarHBondContact O-CB 3.29Å; L232-R235 PolarHBondContact O-N 3.2Å; L232-Q236 HydrophobicContact CD1-CG 4.34Å; L232-Q236 WeakPolarHBondContact O-CG 3.12Å; L232-Q236 PolarHBondContact O-N 2.86Å; L232-Q236 VanDerWaalsContact O-N 3.11Å |
| 233 | L | 95 | Very high | 93.2 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.8 | -49.3 | 178.8 | -65.9 | 171.6 | 0 | 0 | 0 | 111.6 | N229 T230 R235 Q236 Q237 | N229-L233 PolarHBondContact O-N 3.17Å; N229-L233 VanDerWaalsContact O-N 3.16Å; T230-L233 PolarHBondContact O-N 2.85Å; L233-R235 VanDerWaalsContact C-N 3.27Å; L233-R235 PolarHBondContact O-N 2.96Å; L233-Q236 PolarHBondContact O-N 3.43Å; L233-Q237 WeakPolarHBondContact O-CG 3.33Å; L233-Q237 PolarHBondContact O-N 3.08Å |
| 234 | W | 95.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 13% | 0.129 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -37.6 | 176.2 | -164.2 | 94.1 | 0 | 0 | 0 | 111.7 | F59 C62 E63 L66 F215 L219 T230 Q236 V238 V239 | F59-W234 HydrophobicContact CD1-CB 4.01Å; F59-W234 AromaticContact CD1-CD1 3.61Å; F59-W234 AromaticContact CD1-CD2 3.77Å; F59-W234 HydrophobicContact CD1-CD2 3.77Å; F59-W234 HydrophobicContact CD1-CE3 4.42Å; F59-W234 AromaticContact CD1-CG 3.54Å; F59-W234 HydrophobicContact CD1-CG 3.54Å; F59-W234 AromaticContact CD1-NE1 3.89Å; F59-W234 HydrophobicContact CE1-CB 3.69Å; F59-W234 HydrophobicContact CE1-CD2 4.25Å; F59-W234 AromaticContact CE1-CG 3.77Å; F59-W234 HydrophobicContact CE1-CG 3.77Å; F59-W234 AromaticContact CG-CD1 3.75Å; F59-W234 HydrophobicContact CG-CG 4.16Å; F59-W234 AromaticContact CG-NE1 3.93Å; F59-W234 HydrophobicContact CZ-CB 4.17Å; C62-W234 HydrophobicContact CB-CH2 3.53Å; C62-W234 HydrophobicContact CB-CZ2 4.01Å; C62-W234 HydrophobicContact CB-CZ3 3.81Å; E63-W234 HydrophobicContact CB-CZ2 4.29Å; L66-W234 HydrophobicContact CD2-CH2 4.26Å; F215-W234 HydrophobicContact CD1-CZ3 4.4Å; L219-W234 HydrophobicContact CD1-CE3 3.84Å; L219-W234 HydrophobicContact CD1-CZ3 4.19Å; L219-W234 HydrophobicContact CD2-CE3 3.89Å; T230-W234 WeakPolarHBondContact O-CB 3.49Å; T230-W234 PolarHBondContact O-N 3.15Å; W234-Q236 PolarHBondContact O-N 3.45Å; W234-V238 HydrophobicContact CD2-CB 4.22Å; W234-V238 HydrophobicContact CD2-CG2 4.05Å; W234-V238 HydrophobicContact CE3-CB 4.41Å; W234-V238 HydrophobicContact CG-CG2 4.17Å; W234-V238 HydrophobicContact CH2-CG1 4.26Å; W234-V238 HydrophobicContact CZ2-CB 4.35Å; W234-V238 HydrophobicContact CZ2-CG1 4.12Å; W234-V238 HydrophobicContact CZ2-CG2 4.39Å; W234-V238 VanDerWaalsContact O-CB 3.31Å; W234-V238 WeakPolarHBondContact O-CB 3.08Å; W234-V238 WeakPolarHBondContact O-CG2 3.17Å; W234-V238 PolarHBondContact O-N 3.24Å; W234-V239 HydrophobicContact CE3-CG2 3.71Å; W234-V239 HydrophobicContact CH2-CG2 4.25Å; W234-V239 HydrophobicContact CZ3-CG2 3.3Å |
| 235 | R | 95.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 59.3 Ų | 59.3 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -61.7 | -42.6 | 173.4 | -159.7 | -170.9 | 74.1 | -103.3 | -11.2 | 112.3 | L219 G231 L232 L233 V239 E240 | L219-R235 HydrophobicContact CD1-CB 3.69Å; L219-R235 HydrophobicContact CD1-CG 3.8Å; G231-R235 WeakPolarHBondContact O-CB 3.29Å; G231-R235 PolarHBondContact O-N 3.05Å; L232-R235 WeakPolarHBondContact O-CB 3.29Å; L232-R235 PolarHBondContact O-N 3.2Å; L233-R235 VanDerWaalsContact C-N 3.27Å; L233-R235 PolarHBondContact O-N 2.96Å; R235-V239 HydrophobicContact CG-CB 3.95Å; R235-V239 HydrophobicContact CG-CG1 4.39Å; R235-V239 HydrophobicContact CG-CG2 4.4Å; R235-V239 CarbonylContact O-C 3.55Å; R235-V239 PolarHBondContact O-N 2.68Å; R235-V239 VanDerWaalsContact O-N 3.16Å; R235-E240 IonicContact CZ-OE1 3.71Å; R235-E240 IonicContact NE-OE1 2.73Å; R235-E240 PolarHBondContact NE-OE1 3.46Å; R235-E240 IonicContact NH2-OE1 2.77Å; R235-E240 PolarHBondContact NH2-OE1 2.92Å; R235-E240 PolarHBondContact O-N 2.9Å |
| 236 | Q | 93.8 | Very high | 93 | Very high | 90 Ų | 90 | 60.6 Ų | 60.6 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -73.4 | -40.8 | -177.5 | -70.7 | 176 | -67.2 | 0 | 0 | 112 | L232 L233 W234 | L232-Q236 HydrophobicContact CD1-CG 4.34Å; L232-Q236 WeakPolarHBondContact O-CG 3.12Å; L232-Q236 PolarHBondContact O-N 2.86Å; L232-Q236 VanDerWaalsContact O-N 3.11Å; L233-Q236 PolarHBondContact O-N 3.43Å; W234-Q236 PolarHBondContact O-N 3.45Å |
| 237 | Q | 93.3 | Very high | 93 | Very high | 138 Ų | 138 | 60.9 Ų | 60.9 | 65% | 0.645 | 30% | 0.299 | S | S | * | . | I | π-helix | trans | -73.4 | -43.8 | -179.4 | -68.4 | 171.7 | -8.4 | 0 | 0 | 112.1 | L233 C241 | L233-Q237 WeakPolarHBondContact O-CG 3.33Å; L233-Q237 PolarHBondContact O-N 3.08Å; Q237-C241 PolarHBondContact O-SG 3.24Å |
| 238 | V | 94.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 58.4 Ų | 58.4 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -104 | -63.3 | -170.5 | -166.2 | 0 | 0 | 0 | 0 | 111.6 | L66 W234 C241 A242 | L66-V238 HydrophobicContact CD2-CG1 3.43Å; L66-V238 VanDerWaalsContact CD2-CG1 3.43Å; W234-V238 HydrophobicContact CD2-CB 4.22Å; W234-V238 HydrophobicContact CD2-CG2 4.05Å; W234-V238 HydrophobicContact CE3-CB 4.41Å; W234-V238 HydrophobicContact CG-CG2 4.17Å; W234-V238 HydrophobicContact CH2-CG1 4.26Å; W234-V238 HydrophobicContact CZ2-CB 4.35Å; W234-V238 HydrophobicContact CZ2-CG1 4.12Å; W234-V238 HydrophobicContact CZ2-CG2 4.39Å; W234-V238 VanDerWaalsContact O-CB 3.31Å; W234-V238 WeakPolarHBondContact O-CB 3.08Å; W234-V238 WeakPolarHBondContact O-CG2 3.17Å; W234-V238 PolarHBondContact O-N 3.24Å; V238-C241 PolarHBondContact O-N 2.96Å; V238-A242 WeakPolarHBondContact O-CB 3.49Å; V238-A242 PolarHBondContact O-N 3.03Å |
| 239 | V | 93.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -71.4 | -37.3 | -168 | -176.7 | 0 | 0 | 0 | 0 | 113.7 | F212 F215 L219 W234 R235 C241 F244 | F212-V239 HydrophobicContact CD2-CG1 3.92Å; F212-V239 HydrophobicContact CE2-CG1 4.17Å; F215-V239 HydrophobicContact CB-CG1 3.7Å; F215-V239 HydrophobicContact CB-CG2 4.18Å; F215-V239 HydrophobicContact CD1-CG2 4.22Å; F215-V239 HydrophobicContact CD2-CG1 4.04Å; F215-V239 HydrophobicContact CG-CG1 3.98Å; F215-V239 HydrophobicContact CG-CG2 4.12Å; L219-V239 HydrophobicContact CD1-CG2 4.02Å; W234-V239 HydrophobicContact CE3-CG2 3.71Å; W234-V239 HydrophobicContact CH2-CG2 4.25Å; W234-V239 HydrophobicContact CZ3-CG2 3.3Å; R235-V239 HydrophobicContact CG-CB 3.95Å; R235-V239 HydrophobicContact CG-CG1 4.39Å; R235-V239 HydrophobicContact CG-CG2 4.4Å; R235-V239 CarbonylContact O-C 3.55Å; R235-V239 PolarHBondContact O-N 2.68Å; R235-V239 VanDerWaalsContact O-N 3.16Å; V239-C241 VanDerWaalsContact C-N 3.31Å; V239-F244 HydrophobicContact CG1-CE1 4.47Å; V239-F244 HydrophobicContact CG1-CZ 4.35Å |
| 240 | E | 93.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 54 Ų | 54 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -28.2 | 178.5 | -76.4 | 177.1 | -162 | 0 | 0 | 111.8 | F212 R235 N245 T246 | F212-E240 HydrophobicContact CE2-CG 3.78Å; F212-E240 HydrophobicContact CZ-CG 4.02Å; R235-E240 IonicContact CZ-OE1 3.71Å; R235-E240 IonicContact NE-OE1 2.73Å; R235-E240 PolarHBondContact NE-OE1 3.46Å; R235-E240 IonicContact NH2-OE1 2.77Å; R235-E240 PolarHBondContact NH2-OE1 2.92Å; R235-E240 PolarHBondContact O-N 2.9Å; E240-N245 PolarHBondContact O-ND2 2.86Å; E240-T246 VanDerWaalsContact O-CG2 3.26Å; E240-T246 WeakPolarHBondContact O-CG2 3.4Å |
| 241 | C | 92.2 | Very high | 93 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 55% | 0.547 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -27.7 | 175.4 | -62 | 0 | 0 | 0 | 0 | 114 | Q237 V238 V239 T246 | Q237-C241 PolarHBondContact O-SG 3.24Å; V238-C241 PolarHBondContact O-N 2.96Å; V239-C241 VanDerWaalsContact C-N 3.31Å; C241-T246 VanDerWaalsContact O-CG2 3.24Å; C241-T246 WeakPolarHBondContact O-CG2 3.49Å; C241-T246 PolarHBondContact O-OG1 3.31Å |
| 242 | A | 93.2 | Very high | 93 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 7% | 0.066 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -48.7 | 140.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L66 E70 V238 F244 N245 T246 | L66-A242 HydrophobicContact CD1-CB 4.06Å; E70-A242 WeakPolarHBondContact OE1-CA 3.35Å; E70-A242 WeakPolarHBondContact OE1-CB 3.42Å; V238-A242 WeakPolarHBondContact O-CB 3.49Å; V238-A242 PolarHBondContact O-N 3.03Å; A242-F244 VanDerWaalsContact C-N 3.29Å; A242-F244 HydrophobicContact CB-CD1 3.65Å; A242-F244 HydrophobicContact CB-CE1 3.71Å; A242-F244 PolarHBondContact O-N 2.91Å; A242-N245 PolarHBondContact O-N 3.41Å; A242-T246 PolarHBondContact O-N 3.26Å; A242-T246 PolarHBondContact O-OG1 3Å; A242-T246 VanDerWaalsContact O-OG1 3.05Å |
| 243 | H | 93 | Very high | 92.9 | Very high | 74 Ų | 74 | 55.9 Ų | 55.9 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.2 | -40.8 | -175.2 | 178.8 | -123.7 | 0 | 0 | 0 | 112.2 | E70 S74 N245 T246 S247 E249 | E70-H243 WeakPolarHBondContact OE1-CB 3.26Å; E70-H243 PolarHBondContact OE1-N 3.4Å; S74-H243 PolarHBondContact OG-ND1 3.02Å; H243-N245 PolarHBondContact O-N 3.47Å; H243-N245 VanDerWaalsContact O-N 3.14Å; H243-T246 PolarHBondContact O-N 3.22Å; H243-S247 WeakPolarHBondContact O-CB 3.38Å; H243-S247 PolarHBondContact O-N 2.94Å; H243-E249 IonicContact NE2-OE1 3.65Å |
| 244 | F | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -23.5 | 178.9 | 91.6 | -84.5 | 0 | 0 | 0 | 113.1 | L66 I69 E70 F73 Q208 N211 F212 F215 V239 A242 | L66-F244 HydrophobicContact CD1-CD1 3.75Å; L66-F244 HydrophobicContact CD1-CE1 3.44Å; L66-F244 VanDerWaalsContact CD1-CE1 3.44Å; L66-F244 HydrophobicContact CD1-CZ 4.5Å; I69-F244 HydrophobicContact CG2-CB 4.3Å; I69-F244 HydrophobicContact CG2-CD1 4.13Å; I69-F244 HydrophobicContact CG2-CD2 3.77Å; I69-F244 HydrophobicContact CG2-CE1 4.48Å; I69-F244 HydrophobicContact CG2-CE2 4.15Å; I69-F244 HydrophobicContact CG2-CG 3.77Å; I69-F244 HydrophobicContact CG2-CZ 4.49Å; E70-F244 HydrophobicContact CG-CB 4.38Å; E70-F244 HydrophobicContact CG-CD1 4.06Å; F73-F244 HydrophobicContact CB-CB 3.87Å; F73-F244 HydrophobicContact CD1-CB 4.01Å; F73-F244 HydrophobicContact CD2-CB 4.26Å; F73-F244 HydrophobicContact CG-CB 3.78Å; Q208-F244 VanDerWaalsContact CG-O 3.25Å; Q208-F244 WeakPolarHBondContact CG-O 3.34Å; Q208-F244 PolarHBondContact NE2-O 3.08Å; N211-F244 HydrophobicContact CB-CE2 3.98Å; F212-F244 HydrophobicContact CB-CE2 4.13Å; F212-F244 HydrophobicContact CB-CZ 4.29Å; F215-F244 HydrophobicContact CD2-CZ 4.12Å; F215-F244 HydrophobicContact CE2-CE1 4.5Å; F215-F244 HydrophobicContact CE2-CZ 4.31Å; V239-F244 HydrophobicContact CG1-CE1 4.47Å; V239-F244 HydrophobicContact CG1-CZ 4.35Å; A242-F244 VanDerWaalsContact C-N 3.29Å; A242-F244 HydrophobicContact CB-CD1 3.65Å; A242-F244 HydrophobicContact CB-CE1 3.71Å; A242-F244 PolarHBondContact O-N 2.91Å |
| 245 | N | 92.9 | Very high | 92.6 | Very high | 44 Ų | 44 | 55 Ų | 55 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -98.7 | -32.9 | 179.6 | 178.3 | 67.5 | 0 | 0 | 0 | 112.7 | F212 E240 A242 H243 | F212-N245 HydrophobicContact CD2-CB 4.24Å; F212-N245 WeakPolarHBondContact CD2-OD1 3.47Å; F212-N245 WeakPolarHBondContact CG-OD1 3.45Å; E240-N245 PolarHBondContact O-ND2 2.86Å; A242-N245 PolarHBondContact O-N 3.41Å; H243-N245 PolarHBondContact O-N 3.47Å; H243-N245 VanDerWaalsContact O-N 3.14Å |
| 246 | T | 90.5 | Very high | 92.5 | Very high | 76 Ų | 76 | 57.8 Ų | 57.8 | 47% | 0.466 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -89.6 | -25.2 | -175.6 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | E240 C241 A242 H243 | E240-T246 VanDerWaalsContact O-CG2 3.26Å; E240-T246 WeakPolarHBondContact O-CG2 3.4Å; C241-T246 VanDerWaalsContact O-CG2 3.24Å; C241-T246 WeakPolarHBondContact O-CG2 3.49Å; C241-T246 PolarHBondContact O-OG1 3.31Å; A242-T246 PolarHBondContact O-N 3.26Å; A242-T246 PolarHBondContact O-OG1 3Å; A242-T246 VanDerWaalsContact O-OG1 3.05Å; H243-T246 PolarHBondContact O-N 3.22Å |
| 247 | S | 90.6 | Very high | 92.4 | Very high | 15 Ų | 15 | 53.5 Ų | 53.5 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | trans | -65.6 | 136 | 179.8 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | Q208 H243 E249 | Q208-S247 PolarHBondContact NE2-O 3.05Å; H243-S247 WeakPolarHBondContact O-CB 3.38Å; H243-S247 PolarHBondContact O-N 2.94Å; S247-E249 PolarHBondContact OG-N 3.23Å; S247-E249 PolarHBondContact OG-OE1 3.26Å | ||
| 248 | R | 92.2 | Very high | 92.3 | Very high | 183 Ų | 183 | 48.4 Ų | 48.4 | 69% | 0.691 | 25% | 0.249 | S | C | * | . | trans | -101.3 | -6.8 | 175.9 | -71.6 | -173 | 171.8 | -164 | -1.6 | 114.1 | V250 D251 D252 | R248-V250 PolarHBondContact O-N 3.44Å; R248-D251 WeakPolarHBondContact O-CA 3.49Å; R248-D251 VanDerWaalsContact O-CB 3.31Å; R248-D251 WeakPolarHBondContact O-CB 3.43Å; R248-D251 PolarHBondContact O-N 3.21Å; R248-D252 PolarHBondContact O-N 2.94Å | ||
| 249 | E | 91.3 | Very high | 92.2 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -52.8 | -38.3 | -173.8 | -66.9 | 167.3 | -97.4 | 0 | 0 | 112.9 | I77 N81 H243 S247 D251 D252 L253 | I77-E249 HydrophobicContact CD1-CB 3.72Å; I77-E249 HydrophobicContact CG1-CB 3.65Å; I77-E249 HydrophobicContact CG1-CG 4.36Å; I77-E249 WeakPolarHBondContact CG1-OE2 3.19Å; N81-E249 PolarHBondContact ND2-OE2 2.77Å; H243-E249 IonicContact NE2-OE1 3.65Å; S247-E249 PolarHBondContact OG-N 3.23Å; S247-E249 PolarHBondContact OG-OE1 3.26Å; E249-D251 VanDerWaalsContact C-N 3.28Å; E249-D251 PolarHBondContact O-N 2.93Å; E249-D252 PolarHBondContact O-N 3.02Å; E249-L253 VanDerWaalsContact O-CB 3.26Å; E249-L253 WeakPolarHBondContact O-CB 3.42Å; E249-L253 WeakPolarHBondContact O-CG 3.5Å; E249-L253 PolarHBondContact O-N 3.02Å |
| 250 | V | 90.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -39.4 | 176.4 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | F73 I77 L201 L204 Q205 R248 I254 | F73-V250 HydrophobicContact CE2-CG2 3.9Å; F73-V250 HydrophobicContact CZ-CG2 3.66Å; I77-V250 HydrophobicContact CD1-CG2 3.84Å; L201-V250 WeakPolarHBondContact O-CG1 3.3Å; L204-V250 HydrophobicContact CB-CG1 4.26Å; L204-V250 HydrophobicContact CD2-CG2 3.88Å; L204-V250 HydrophobicContact CG-CG1 4.49Å; L204-V250 HydrophobicContact CG-CG2 3.97Å; Q205-V250 HydrophobicContact CB-CG1 3.85Å; R248-V250 PolarHBondContact O-N 3.44Å; V250-I254 HydrophobicContact CG1-CD1 4.13Å; V250-I254 WeakPolarHBondContact O-CB 3.36Å; V250-I254 WeakPolarHBondContact O-CD1 3.37Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 2.89Å |
| 251 | D | 91.8 | Very high | 91.9 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -76 | -39 | -178 | -70.6 | -18.1 | 0 | 0 | 0 | 112.3 | Q205 R248 E249 I254 T255 K720 | Q205-D251 PolarHBondContact NE2-OD1 3.47Å; R248-D251 WeakPolarHBondContact O-CA 3.49Å; R248-D251 VanDerWaalsContact O-CB 3.31Å; R248-D251 WeakPolarHBondContact O-CB 3.43Å; R248-D251 PolarHBondContact O-N 3.21Å; E249-D251 VanDerWaalsContact C-N 3.28Å; E249-D251 PolarHBondContact O-N 2.93Å; D251-I254 PolarHBondContact O-N 3.24Å; D251-T255 WeakPolarHBondContact O-CB 3.28Å; D251-T255 PolarHBondContact O-N 2.87Å; D251-T255 PolarHBondContact O-OG1 3.2Å; D251-K720 IonicContact OD1-NZ 2.71Å; D251-K720 PolarHBondContact OD1-NZ 3.16Å; D251-K720 IonicContact OD2-NZ 3.13Å; D251-K720 PolarHBondContact OD2-NZ 2.9Å |
| 252 | D | 93.4 | Very high | 91.7 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 51% | 0.508 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.4 | -45.6 | 178.3 | -61.2 | -38.7 | 0 | 0 | 0 | 109.6 | R248 E249 I254 T255 E256 | R248-D252 PolarHBondContact O-N 2.94Å; E249-D252 PolarHBondContact O-N 3.02Å; D252-I254 PolarHBondContact O-N 3.05Å; D252-T255 WeakPolarHBondContact O-CB 3.49Å; D252-T255 PolarHBondContact O-N 3.08Å; D252-T255 VanDerWaalsContact O-N 3.13Å; D252-E256 PolarHBondContact O-N 3.43Å |
| 253 | L | 92.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 171.6 | -74 | 170.3 | 0 | 0 | 0 | 112.8 | I77 A80 F84 L201 E249 T255 E256 V257 | I77-L253 HydrophobicContact CD1-CD1 3.66Å; A80-L253 HydrophobicContact CB-CD1 4.3Å; F84-L253 HydrophobicContact CB-CD2 4.01Å; F84-L253 HydrophobicContact CD1-CD2 3.63Å; F84-L253 HydrophobicContact CD2-CD2 4.5Å; F84-L253 HydrophobicContact CE1-CD2 4.24Å; F84-L253 HydrophobicContact CG-CD2 3.79Å; L201-L253 HydrophobicContact CD1-CB 3.77Å; L201-L253 HydrophobicContact CD2-CB 3.9Å; L201-L253 HydrophobicContact CD2-CD1 3.82Å; L201-L253 HydrophobicContact CG-CB 4.5Å; E249-L253 VanDerWaalsContact O-CB 3.26Å; E249-L253 WeakPolarHBondContact O-CB 3.42Å; E249-L253 WeakPolarHBondContact O-CG 3.5Å; E249-L253 PolarHBondContact O-N 3.02Å; L253-T255 VanDerWaalsContact C-N 3.31Å; L253-T255 PolarHBondContact O-N 3.22Å; L253-E256 PolarHBondContact O-N 2.94Å; L253-V257 WeakPolarHBondContact O-CB 3.44Å; L253-V257 VanDerWaalsContact O-CG2 3.23Å; L253-V257 WeakPolarHBondContact O-CG2 3.36Å; L253-V257 PolarHBondContact O-N 3.4Å |
| 254 | I | 90.7 | Very high | 91.3 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 174.5 | -80.2 | 167.1 | 0 | 0 | 0 | 109.8 | Y198 L201 V202 Q205 V250 D251 D252 V257 E258 | Y198-I254 HydrophobicContact CE2-CG2 3.99Å; L201-I254 HydrophobicContact CB-CD1 4.05Å; L201-I254 HydrophobicContact CB-CG1 3.55Å; L201-I254 HydrophobicContact CD1-CG1 4.04Å; L201-I254 HydrophobicContact CG-CG1 4.43Å; V202-I254 HydrophobicContact CG2-CD1 4.34Å; Q205-I254 HydrophobicContact CB-CD1 4.29Å; V250-I254 HydrophobicContact CG1-CD1 4.13Å; V250-I254 WeakPolarHBondContact O-CB 3.36Å; V250-I254 WeakPolarHBondContact O-CD1 3.37Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 2.89Å; D251-I254 PolarHBondContact O-N 3.24Å; D252-I254 PolarHBondContact O-N 3.05Å; I254-V257 PolarHBondContact O-N 2.99Å; I254-E258 WeakPolarHBondContact O-CG 3.32Å; I254-E258 PolarHBondContact O-N 2.85Å |
| 255 | T | 93 | Very high | 90.9 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.6 | -42.9 | -178 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | D251 D252 L253 E258 N259 | D251-T255 WeakPolarHBondContact O-CB 3.28Å; D251-T255 PolarHBondContact O-N 2.87Å; D251-T255 PolarHBondContact O-OG1 3.2Å; D252-T255 WeakPolarHBondContact O-CB 3.49Å; D252-T255 PolarHBondContact O-N 3.08Å; D252-T255 VanDerWaalsContact O-N 3.13Å; L253-T255 VanDerWaalsContact C-N 3.31Å; L253-T255 PolarHBondContact O-N 3.22Å; T255-E258 PolarHBondContact O-N 3.08Å; T255-N259 VanDerWaalsContact O-CG 3.27Å; T255-N259 PolarHBondContact O-N 3.06Å; T255-N259 VanDerWaalsContact O-N 3.14Å; T255-N259 PolarHBondContact O-ND2 3.22Å |
| 256 | E | 93.7 | Very high | 90.6 | Very high | 94 Ų | 94 | 48.3 Ų | 48.3 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 179 | -157.3 | 179.9 | 161.9 | 0 | 0 | 112 | F84 D252 L253 E258 N259 I260 | F84-E256 VanDerWaalsContact CE1-CD 3.45Å; F84-E256 HydrophobicContact CE1-CG 4.33Å; F84-E256 WeakPolarHBondContact CE1-OE1 3.43Å; F84-E256 WeakPolarHBondContact CE1-OE2 3.27Å; F84-E256 HydrophobicContact CZ-CB 4.11Å; F84-E256 HydrophobicContact CZ-CG 3.75Å; F84-E256 WeakPolarHBondContact CZ-OE1 3.4Å; D252-E256 PolarHBondContact O-N 3.43Å; L253-E256 PolarHBondContact O-N 2.94Å; E256-E258 PolarHBondContact O-N 3.42Å; E256-N259 PolarHBondContact O-N 2.89Å; E256-I260 HydrophobicContact CG-CD1 4.05Å; E256-I260 WeakPolarHBondContact O-CB 3.46Å; E256-I260 WeakPolarHBondContact O-CG1 3.19Å; E256-I260 PolarHBondContact O-N 3.44Å |
| 257 | V | 91.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 112 | F84 F194 F197 Y198 L201 L253 I254 N259 F261 | F84-V257 HydrophobicContact CD2-CG2 3.89Å; F84-V257 HydrophobicContact CE2-CG2 3.72Å; F194-V257 HydrophobicContact CD1-CG1 4.36Å; F197-V257 HydrophobicContact CD1-CG2 3.63Å; F197-V257 HydrophobicContact CE1-CG2 3.61Å; Y198-V257 HydrophobicContact CD2-CB 4.44Å; Y198-V257 HydrophobicContact CD2-CG1 3.88Å; Y198-V257 HydrophobicContact CG-CG1 4.37Å; L201-V257 HydrophobicContact CD1-CG2 4.1Å; L253-V257 WeakPolarHBondContact O-CB 3.44Å; L253-V257 VanDerWaalsContact O-CG2 3.23Å; L253-V257 WeakPolarHBondContact O-CG2 3.36Å; L253-V257 PolarHBondContact O-N 3.4Å; I254-V257 PolarHBondContact O-N 2.99Å; V257-N259 VanDerWaalsContact C-N 3.34Å; V257-N259 PolarHBondContact O-N 3.41Å; V257-F261 VanDerWaalsContact O-CB 3.25Å; V257-F261 WeakPolarHBondContact O-CB 3.19Å; V257-F261 PolarHBondContact O-N 2.99Å |
| 258 | E | 91.5 | Very high | 89.5 | Confident | 32 Ų | 32 | 55 Ų | 55 | 15% | 0.15 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.5 | -73.9 | -165.7 | -178.1 | 0 | 0 | 112.5 | Y198 I254 T255 E256 T262 R270 M274 L277 | Y198-E258 HydrophobicContact CD2-CG 4.36Å; Y198-E258 HydrophobicContact CE2-CG 3.54Å; Y198-E258 PolarHBondContact OH-OE1 3.47Å; I254-E258 WeakPolarHBondContact O-CG 3.32Å; I254-E258 PolarHBondContact O-N 2.85Å; T255-E258 PolarHBondContact O-N 3.08Å; E256-E258 PolarHBondContact O-N 3.42Å; E258-T262 VanDerWaalsContact O-CB 3.27Å; E258-T262 WeakPolarHBondContact O-CB 3.37Å; E258-T262 PolarHBondContact O-N 3.23Å; E258-T262 PolarHBondContact O-OG1 2.9Å; E258-R270 IonicContact OE2-CZ 3.7Å; E258-R270 IonicContact OE2-NH1 3.46Å; E258-R270 IonicContact OE2-NH2 2.71Å; E258-R270 PolarHBondContact OE2-NH2 3.38Å; E258-M274 HydrophobicContact CB-CE 3.79Å; E258-M274 HydrophobicContact CG-CE 3.78Å; E258-M274 HydrophobicContact CG-SD 4.29Å; E258-L277 HydrophobicContact CG-CD1 4.19Å |
| 259 | N | 92.6 | Very high | 89.1 | Confident | 65 Ų | 65 | 49.3 Ų | 49.3 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.4 | -50.1 | 179.9 | -65.8 | -20.2 | 0 | 0 | 0 | 110.7 | T255 E256 V257 F261 T262 E263 | T255-N259 VanDerWaalsContact O-CG 3.27Å; T255-N259 PolarHBondContact O-N 3.06Å; T255-N259 VanDerWaalsContact O-N 3.14Å; T255-N259 PolarHBondContact O-ND2 3.22Å; E256-N259 PolarHBondContact O-N 2.89Å; V257-N259 VanDerWaalsContact C-N 3.34Å; V257-N259 PolarHBondContact O-N 3.41Å; N259-F261 VanDerWaalsContact C-N 3.33Å; N259-F261 PolarHBondContact O-N 3.46Å; N259-T262 PolarHBondContact O-N 2.81Å; N259-T262 VanDerWaalsContact O-N 3.12Å; N259-E263 WeakPolarHBondContact O-CB 3.5Å; N259-E263 WeakPolarHBondContact O-CG 3.39Å; N259-E263 PolarHBondContact O-N 3.14Å |
| 260 | I | 90.4 | Very high | 88.7 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 9% | 0.087 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 176.2 | -73.2 | 170.3 | 0 | 0 | 0 | 111.6 | F84 V88 L91 F194 E256 T262 K264 L265 | F84-I260 HydrophobicContact CE2-CD1 3.86Å; F84-I260 HydrophobicContact CZ-CD1 3.62Å; V88-I260 HydrophobicContact CG2-CD1 4.07Å; L91-I260 HydrophobicContact CD2-CG2 3.56Å; F194-I260 HydrophobicContact CD1-CG2 4.31Å; F194-I260 HydrophobicContact CE1-CG2 3.64Å; F194-I260 HydrophobicContact CZ-CG2 4Å; E256-I260 HydrophobicContact CG-CD1 4.05Å; E256-I260 WeakPolarHBondContact O-CB 3.46Å; E256-I260 WeakPolarHBondContact O-CG1 3.19Å; E256-I260 PolarHBondContact O-N 3.44Å; I260-T262 VanDerWaalsContact C-N 3.34Å; I260-T262 PolarHBondContact O-N 3.5Å; I260-K264 HydrophobicContact CG2-CB 4.49Å; I260-K264 HydrophobicContact CG2-CD 4.29Å; I260-K264 WeakPolarHBondContact O-CB 3.24Å; I260-K264 PolarHBondContact O-N 3.46Å; I260-L265 PolarHBondContact O-N 3.18Å |
| 261 | F | 89.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -68.2 | -35.7 | 178.6 | -159 | -78.7 | 0 | 0 | 0 | 112.2 | K191 F194 V257 N259 L265 E266 A273 R276 L277 | K191-F261 HydrophobicContact CB-CE2 4.4Å; K191-F261 HydrophobicContact CB-CZ 4.34Å; K191-F261 HydrophobicContact CG-CZ 4.42Å; K191-F261 WeakPolarHBondContact O-CE2 3.42Å; F194-F261 HydrophobicContact CB-CD2 3.8Å; F194-F261 HydrophobicContact CB-CE2 4.1Å; V257-F261 VanDerWaalsContact O-CB 3.25Å; V257-F261 WeakPolarHBondContact O-CB 3.19Å; V257-F261 PolarHBondContact O-N 2.99Å; N259-F261 VanDerWaalsContact C-N 3.33Å; N259-F261 PolarHBondContact O-N 3.46Å; F261-L265 HydrophobicContact CD2-CD1 3.64Å; F261-L265 HydrophobicContact CE2-CD1 4.01Å; F261-L265 HydrophobicContact CG-CB 4.41Å; F261-L265 HydrophobicContact CG-CD1 4.19Å; F261-L265 WeakPolarHBondContact O-CB 3.36Å; F261-E266 HydrophobicContact CD1-CG 3.9Å; F261-E266 HydrophobicContact CE1-CG 3.62Å; F261-E266 PolarHBondContact O-N 3.06Å; F261-A273 HydrophobicContact CD1-CB 3.81Å; F261-A273 HydrophobicContact CE1-CB 4.47Å; F261-R276 HydrophobicContact CE1-CB 3.83Å; F261-R276 HydrophobicContact CZ-CB 3.97Å; F261-L277 HydrophobicContact CB-CD1 3.88Å; F261-L277 HydrophobicContact CB-CD2 4.5Å; F261-L277 HydrophobicContact CB-CG 4.43Å; F261-L277 HydrophobicContact CD1-CD1 4.35Å; F261-L277 HydrophobicContact CD1-CD2 4.37Å; F261-L277 HydrophobicContact CD1-CG 4.12Å; F261-L277 HydrophobicContact CD2-CD2 3.7Å; F261-L277 HydrophobicContact CD2-CG 4.3Å; F261-L277 HydrophobicContact CE1-CG 4.45Å; F261-L277 HydrophobicContact CE2-CD2 3.89Å; F261-L277 HydrophobicContact CG-CD1 4.03Å; F261-L277 HydrophobicContact CG-CD2 3.94Å; F261-L277 HydrophobicContact CG-CG 4.03Å; F261-L277 HydrophobicContact CZ-CD2 4.32Å |
| 262 | T | 89.5 | Confident | 87.5 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -67.1 | -54 | 176.3 | -61.4 | 0 | 0 | 0 | 0 | 111 | E258 N259 I260 E266 Q267 G268 R270 A273 | E258-T262 VanDerWaalsContact O-CB 3.27Å; E258-T262 WeakPolarHBondContact O-CB 3.37Å; E258-T262 PolarHBondContact O-N 3.23Å; E258-T262 PolarHBondContact O-OG1 2.9Å; N259-T262 PolarHBondContact O-N 2.81Å; N259-T262 VanDerWaalsContact O-N 3.12Å; I260-T262 VanDerWaalsContact C-N 3.34Å; I260-T262 PolarHBondContact O-N 3.5Å; T262-E266 CarbonylContact O-C 3.59Å; T262-E266 PolarHBondContact O-N 3.42Å; T262-Q267 PolarHBondContact O-N 3.19Å; T262-G268 WeakPolarHBondContact O-CA 3.48Å; T262-G268 PolarHBondContact O-N 2.87Å; T262-R270 HydrophobicContact CG2-CB 3.78Å; T262-R270 HydrophobicContact CG2-CG 4.27Å; T262-A273 WeakPolarHBondContact OG1-CB 3.39Å |
| 263 | E | 89.9 | Confident | 87 | Confident | 133 Ų | 133 | 57.1 Ų | 57.1 | 62% | 0.621 | 28% | 0.284 | S | S | * | . | I | π-helix | trans | -79.3 | -64.4 | -171.7 | -64.6 | 175.5 | -173.1 | 0 | 0 | 112.3 | N259 Q267 | N259-E263 WeakPolarHBondContact O-CB 3.5Å; N259-E263 WeakPolarHBondContact O-CG 3.39Å; N259-E263 PolarHBondContact O-N 3.14Å; E263-Q267 PolarHBondContact O-N 3.22Å |
| 264 | K | 88.1 | Confident | 86.4 | Confident | 83 Ų | 83 | 58.7 Ų | 58.7 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -71.6 | -31.4 | -173.6 | -66.5 | -173.4 | 179 | -177.3 | 0 | 112.8 | L91 D92 I95 I260 | L91-K264 HydrophobicContact CD2-CB 3.96Å; L91-K264 HydrophobicContact CD2-CD 3.73Å; L91-K264 HydrophobicContact CD2-CG 4.49Å; L91-K264 HydrophobicContact CG-CD 4.24Å; D92-K264 WeakPolarHBondContact OD1-CE 3.3Å; D92-K264 IonicContact OD1-NZ 3.89Å; D92-K264 PolarHBondContact OD1-NZ 3.46Å; D92-K264 IonicContact OD2-NZ 2.68Å; D92-K264 PolarHBondContact OD2-NZ 2.82Å; I95-K264 HydrophobicContact CD1-CB 4.07Å; I95-K264 HydrophobicContact CD1-CD 3.86Å; I95-K264 HydrophobicContact CD1-CG 4.08Å; I260-K264 HydrophobicContact CG2-CB 4.49Å; I260-K264 HydrophobicContact CG2-CD 4.29Å; I260-K264 WeakPolarHBondContact O-CB 3.24Å; I260-K264 PolarHBondContact O-N 3.46Å |
| 265 | L | 85.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -103.5 | -46.6 | -173.2 | -69.5 | 175.9 | 0 | 0 | 0 | 114.4 | L91 L187 K191 F194 I260 F261 | L91-L265 HydrophobicContact CD1-CD2 3.64Å; L91-L265 HydrophobicContact CD1-CG 4.28Å; L91-L265 HydrophobicContact CD2-CG 4.41Å; L187-L265 HydrophobicContact CD1-CD2 3.78Å; K191-L265 WeakPolarHBondContact CE-O 3.5Å; K191-L265 HydrophobicContact CG-CB 4.2Å; K191-L265 HydrophobicContact CG-CD1 4.16Å; K191-L265 HydrophobicContact CG-CD2 3.92Å; K191-L265 HydrophobicContact CG-CG 4.33Å; K191-L265 PolarHBondContact NZ-O 3.16Å; F194-L265 HydrophobicContact CB-CD1 4.11Å; F194-L265 HydrophobicContact CD2-CD1 3.92Å; F194-L265 HydrophobicContact CG-CD1 3.98Å; I260-L265 PolarHBondContact O-N 3.18Å; F261-L265 HydrophobicContact CD2-CD1 3.64Å; F261-L265 HydrophobicContact CE2-CD1 4.01Å; F261-L265 HydrophobicContact CG-CB 4.41Å; F261-L265 HydrophobicContact CG-CD1 4.19Å; F261-L265 WeakPolarHBondContact O-CB 3.36Å |
| 266 | E | 85 | Confident | 84.6 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.019 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 14.4 | 179.9 | -63.2 | -57.7 | 157.7 | 0 | 0 | 115.4 | K191 F261 T262 G268 D269 K272 A273 R276 | K191-E266 WeakPolarHBondContact CD-OE1 3.36Å; K191-E266 WeakPolarHBondContact CE-OE1 3.33Å; K191-E266 IonicContact NZ-OE1 3.35Å; K191-E266 PolarHBondContact NZ-OE1 3.02Å; K191-E266 IonicContact NZ-OE2 2.66Å; K191-E266 PolarHBondContact NZ-OE2 2.93Å; K191-E266 VanDerWaalsContact NZ-OE2 3.12Å; F261-E266 HydrophobicContact CD1-CG 3.9Å; F261-E266 HydrophobicContact CE1-CG 3.62Å; F261-E266 PolarHBondContact O-N 3.06Å; T262-E266 CarbonylContact O-C 3.59Å; T262-E266 PolarHBondContact O-N 3.42Å; E266-G268 VanDerWaalsContact C-N 3.32Å; E266-G268 PolarHBondContact O-N 2.98Å; E266-D269 PolarHBondContact O-N 3Å; E266-K272 HydrophobicContact CG-CG 4.42Å; E266-K272 VanDerWaalsContact OE2-CE 3.24Å; E266-K272 WeakPolarHBondContact OE2-CE 3.38Å; E266-K272 IonicContact OE2-NZ 2.67Å; E266-K272 PolarHBondContact OE2-NZ 3.48Å; E266-A273 HydrophobicContact CB-CB 4.22Å; E266-A273 HydrophobicContact CG-CB 4.22Å; E266-R276 WeakPolarHBondContact OE1-CD 3.31Å; E266-R276 IonicContact OE1-CZ 3.4Å; E266-R276 IonicContact OE1-NE 2.66Å; E266-R276 PolarHBondContact OE1-NE 3.09Å; E266-R276 IonicContact OE1-NH1 2.66Å; E266-R276 PolarHBondContact OE1-NH1 3.47Å; E266-R276 IonicContact OE2-NH1 3.8Å |
| 267 | Q | 81.2 | Confident | 83.8 | Confident | 182 Ų | 182 | 64.9 Ų | 64.9 | 85% | 0.85 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 33.5 | 170.4 | -54.9 | 174.9 | -27.2 | 0 | 0 | 113.7 | T262 E263 | T262-Q267 PolarHBondContact O-N 3.19Å; E263-Q267 PolarHBondContact O-N 3.22Å |
| 268 | G | 78.2 | Confident | 82.5 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -8.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T262 E266 R270 | T262-G268 WeakPolarHBondContact O-CA 3.48Å; T262-G268 PolarHBondContact O-N 2.87Å; E266-G268 VanDerWaalsContact C-N 3.32Å; E266-G268 PolarHBondContact O-N 2.98Å; G268-R270 PolarHBondContact O-N 2.92Å |
| 269 | D | 83.4 | Confident | 80.8 | Confident | 65 Ų | 65 | 74.4 Ų | 74.4 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | trans | -75.3 | 86.5 | 178.7 | -175 | -14.3 | 0 | 0 | 0 | 111.5 | E266 Q271 K272 A273 | E266-D269 PolarHBondContact O-N 3Å; D269-Q271 PolarHBondContact O-N 2.61Å; D269-Q271 PolarHBondContact OD1-N 3.14Å; D269-K272 HydrophobicContact CB-CB 3.99Å; D269-K272 PolarHBondContact O-N 2.82Å; D269-K272 WeakPolarHBondContact OD1-CB 3.13Å; D269-K272 PolarHBondContact OD1-N 2.7Å; D269-K272 WeakPolarHBondContact OD2-CB 3.28Å; D269-K272 VanDerWaalsContact OD2-CD 3.31Å; D269-K272 WeakPolarHBondContact OD2-CD 3.38Å; D269-A273 WeakPolarHBondContact O-CB 3.5Å; D269-A273 PolarHBondContact O-N 3.07Å | ||
| 270 | R | 83.2 | Confident | 78.5 | Confident | 115 Ų | 115 | 75.1 Ų | 75.1 | 43% | 0.434 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.1 | -30.4 | 177.3 | -167.6 | 170.5 | 174.8 | 96 | 12.3 | 112.3 | E258 T262 G268 M274 | E258-R270 IonicContact OE2-CZ 3.7Å; E258-R270 IonicContact OE2-NH1 3.46Å; E258-R270 IonicContact OE2-NH2 2.71Å; E258-R270 PolarHBondContact OE2-NH2 3.38Å; T262-R270 HydrophobicContact CG2-CB 3.78Å; T262-R270 HydrophobicContact CG2-CG 4.27Å; G268-R270 PolarHBondContact O-N 2.92Å; R270-M274 HydrophobicContact CG-CE 4.39Å; R270-M274 HydrophobicContact CG-CG 3.92Å; R270-M274 VanDerWaalsContact O-CB 3.27Å; R270-M274 WeakPolarHBondContact O-CB 3.44Å; R270-M274 WeakPolarHBondContact O-CG 3.38Å; R270-M274 PolarHBondContact O-N 3.32Å |
| 271 | Q | 78.6 | Confident | 76.1 | Confident | 169 Ų | 169 | 78.1 Ų | 78.1 | 79% | 0.79 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68.4 | -44.3 | 178.7 | -65 | -165.2 | 13.4 | 0 | 0 | 111.2 | D269 K275 | D269-Q271 PolarHBondContact O-N 2.61Å; D269-Q271 PolarHBondContact OD1-N 3.14Å; Q271-K275 WeakPolarHBondContact O-CB 3.44Å; Q271-K275 PolarHBondContact O-N 3Å |
| 272 | K | 78.1 | Confident | 73.8 | Confident | 77 Ų | 77 | 80.8 Ų | 80.8 | 34% | 0.335 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.1 | -34.4 | 177.4 | -179.9 | 164.9 | 154.2 | -95.4 | 0 | 112.7 | E266 D269 R276 | E266-K272 HydrophobicContact CG-CG 4.42Å; E266-K272 VanDerWaalsContact OE2-CE 3.24Å; E266-K272 WeakPolarHBondContact OE2-CE 3.38Å; E266-K272 IonicContact OE2-NZ 2.67Å; E266-K272 PolarHBondContact OE2-NZ 3.48Å; D269-K272 HydrophobicContact CB-CB 3.99Å; D269-K272 PolarHBondContact O-N 2.82Å; D269-K272 WeakPolarHBondContact OD1-CB 3.13Å; D269-K272 PolarHBondContact OD1-N 2.7Å; D269-K272 WeakPolarHBondContact OD2-CB 3.28Å; D269-K272 VanDerWaalsContact OD2-CD 3.31Å; D269-K272 WeakPolarHBondContact OD2-CD 3.38Å; K272-R276 WeakPolarHBondContact O-CB 3.35Å; K272-R276 VanDerWaalsContact O-CG 3.28Å; K272-R276 WeakPolarHBondContact O-CG 3.25Å; K272-R276 PolarHBondContact O-N 3.05Å; K272-R276 VanDerWaalsContact O-N 3.15Å |
| 273 | A | 81.7 | Confident | 71.5 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.4 | -57.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F261 T262 E266 D269 K275 R276 L277 | F261-A273 HydrophobicContact CD1-CB 3.81Å; F261-A273 HydrophobicContact CE1-CB 4.47Å; T262-A273 WeakPolarHBondContact OG1-CB 3.39Å; E266-A273 HydrophobicContact CB-CB 4.22Å; E266-A273 HydrophobicContact CG-CB 4.22Å; D269-A273 WeakPolarHBondContact O-CB 3.5Å; D269-A273 PolarHBondContact O-N 3.07Å; A273-K275 VanDerWaalsContact C-N 3.25Å; A273-K275 PolarHBondContact O-N 3.31Å; A273-R276 WeakPolarHBondContact O-CA 3.49Å; A273-R276 PolarHBondContact O-N 3.1Å; A273-L277 PolarHBondContact O-N 3.04Å |
| 274 | M | 80.2 | Confident | 69.6 | Low | 41 Ų | 41 | 81.5 Ų | 81.5 | 20% | 0.202 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.6 | -31.9 | 178.4 | -65.1 | -56.4 | 108.7 | 0 | 0 | 112.3 | E258 R270 R276 L277 R278 | E258-M274 HydrophobicContact CB-CE 3.79Å; E258-M274 HydrophobicContact CG-CE 3.78Å; E258-M274 HydrophobicContact CG-SD 4.29Å; R270-M274 HydrophobicContact CG-CE 4.39Å; R270-M274 HydrophobicContact CG-CG 3.92Å; R270-M274 VanDerWaalsContact O-CB 3.27Å; R270-M274 WeakPolarHBondContact O-CB 3.44Å; R270-M274 WeakPolarHBondContact O-CG 3.38Å; R270-M274 PolarHBondContact O-N 3.32Å; M274-R276 VanDerWaalsContact C-N 3.28Å; M274-R276 PolarHBondContact O-N 3.17Å; M274-L277 HydrophobicContact CE-CD1 3.99Å; M274-R278 WeakPolarHBondContact O-CA 3.39Å; M274-R278 WeakPolarHBondContact O-CB 3.47Å; M274-R278 PolarHBondContact O-N 2.95Å |
| 275 | K | 74.3 | Confident | 67.9 | Low | 178 Ų | 178 | 86.5 Ų | 86.5 | 77% | 0.774 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71 | -18.9 | 173.7 | -174.1 | 173.8 | -178.8 | 177.8 | 0 | 113.7 | Q271 A273 | Q271-K275 WeakPolarHBondContact O-CB 3.44Å; Q271-K275 PolarHBondContact O-N 3Å; A273-K275 VanDerWaalsContact C-N 3.25Å; A273-K275 PolarHBondContact O-N 3.31Å |
| 276 | R | 71.2 | Confident | 66.8 | Low | 128 Ų | 128 | 90.5 Ų | 90.5 | 48% | 0.483 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -94.6 | -33.9 | 175.2 | -75.7 | 172.9 | 170.7 | -137.6 | -13.8 | 112.8 | F261 E266 K272 A273 M274 | F261-R276 HydrophobicContact CE1-CB 3.83Å; F261-R276 HydrophobicContact CZ-CB 3.97Å; E266-R276 WeakPolarHBondContact OE1-CD 3.31Å; E266-R276 IonicContact OE1-CZ 3.4Å; E266-R276 IonicContact OE1-NE 2.66Å; E266-R276 PolarHBondContact OE1-NE 3.09Å; E266-R276 IonicContact OE1-NH1 2.66Å; E266-R276 PolarHBondContact OE1-NH1 3.47Å; E266-R276 IonicContact OE2-NH1 3.8Å; K272-R276 WeakPolarHBondContact O-CB 3.35Å; K272-R276 VanDerWaalsContact O-CG 3.28Å; K272-R276 WeakPolarHBondContact O-CG 3.25Å; K272-R276 PolarHBondContact O-N 3.05Å; K272-R276 VanDerWaalsContact O-N 3.15Å; A273-R276 WeakPolarHBondContact O-CA 3.49Å; A273-R276 PolarHBondContact O-N 3.1Å; M274-R276 VanDerWaalsContact C-N 3.28Å; M274-R276 PolarHBondContact O-N 3.17Å |
| 277 | L | 76.4 | Confident | 66.3 | Low | 6 Ų | 6 | 94.6 Ų | 94.6 | 3% | 0.031 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -81.7 | -29.7 | 175.2 | -66.2 | -176.2 | 0 | 0 | 0 | 113.3 | Y198 E258 F261 A273 M274 V279 | Y198-L277 HydrophobicContact CD1-CB 3.84Å; Y198-L277 HydrophobicContact CD1-CD2 4.22Å; Y198-L277 HydrophobicContact CD1-CG 4.46Å; Y198-L277 WeakPolarHBondContact CD1-O 3.41Å; Y198-L277 HydrophobicContact CD2-CD1 4.11Å; Y198-L277 HydrophobicContact CE1-CB 3.81Å; Y198-L277 WeakPolarHBondContact CE1-O 3.29Å; Y198-L277 HydrophobicContact CE2-CD1 4.22Å; Y198-L277 HydrophobicContact CG-CB 4.27Å; Y198-L277 HydrophobicContact CG-CD1 4.32Å; Y198-L277 HydrophobicContact CG-CD2 3.96Å; Y198-L277 HydrophobicContact CG-CG 4.41Å; E258-L277 HydrophobicContact CG-CD1 4.19Å; F261-L277 HydrophobicContact CB-CD1 3.88Å; F261-L277 HydrophobicContact CB-CD2 4.5Å; F261-L277 HydrophobicContact CB-CG 4.43Å; F261-L277 HydrophobicContact CD1-CD1 4.35Å; F261-L277 HydrophobicContact CD1-CD2 4.37Å; F261-L277 HydrophobicContact CD1-CG 4.12Å; F261-L277 HydrophobicContact CD2-CD2 3.7Å; F261-L277 HydrophobicContact CD2-CG 4.3Å; F261-L277 HydrophobicContact CE1-CG 4.45Å; F261-L277 HydrophobicContact CE2-CD2 3.89Å; F261-L277 HydrophobicContact CG-CD1 4.03Å; F261-L277 HydrophobicContact CG-CD2 3.94Å; F261-L277 HydrophobicContact CG-CG 4.03Å; F261-L277 HydrophobicContact CZ-CD2 4.32Å; A273-L277 PolarHBondContact O-N 3.04Å; M274-L277 HydrophobicContact CE-CD1 3.99Å; L277-V279 PolarHBondContact O-N 2.89Å |
| 278 | R | 65.7 | Low | 66.4 | Low | 203 Ų | 203 | 90.3 Ų | 90.3 | 77% | 0.766 | 45% | 0.446 | S | S | * | . | trans | -60.6 | 105.8 | 178.3 | 174.7 | 177 | -76.9 | -175.5 | -4.8 | 110.5 | M274 | M274-R278 WeakPolarHBondContact O-CA 3.39Å; M274-R278 WeakPolarHBondContact O-CB 3.47Å; M274-R278 PolarHBondContact O-N 2.95Å | ||
| 279 | V | 54.2 | Low | 66.7 | Low | 29 Ų | 29 | 97.3 Ų | 97.3 | 18% | 0.176 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -54 | 127.3 | 167.2 | -161.2 | 0 | 0 | 0 | 0 | 109.2 | L199 L277 F714 | L199-V279 HydrophobicContact CD1-CB 4.17Å; L199-V279 HydrophobicContact CD1-CG1 3.56Å; L199-V279 HydrophobicContact CD1-CG2 3.45Å; L199-V279 VanDerWaalsContact CD1-CG2 3.45Å; L277-V279 PolarHBondContact O-N 2.89Å; V279-F714 HydrophobicContact CG1-CB 4.13Å; V279-F714 HydrophobicContact CG1-CD1 3.98Å; V279-F714 HydrophobicContact CG1-CG 4.47Å |
| 280 | P | 44.5 | Very low | 66.8 | Low | 80 Ų | 80 | 94.4 Ų | 94.4 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 149.6 | 168.1 | -24.1 | 35.1 | 0 | 0 | 0 | 110.9 | L282 | P280-L282 PolarHBondContact O-N 2.86Š|
| 281 | P | 39.7 | Very low | 67 | Low | 80 Ų | 80 | 90.8 Ų | 90.8 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 138.9 | -178.5 | 25.5 | -34.6 | 0 | 0 | 0 | 111.7 | S283 | P281-S283 VanDerWaalsContact C-N 3.27Å; P281-S283 CarbonylContact O-C 3.6Å; P281-S283 PolarHBondContact O-N 2.98Å; P281-S283 VanDerWaalsContact O-N 3.11Å |
| 282 | L | 41 | Very low | 67.7 | Low | 58 Ų | 58 | 89.4 Ų | 89.4 | 30% | 0.304 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -44.1 | -47.6 | -172.6 | -130.5 | 174.8 | 0 | 0 | 0 | 114.5 | P280 E284 F714 I715 | P280-L282 PolarHBondContact O-N 2.86Å; L282-E284 PolarHBondContact O-N 3.44Å; L282-E284 VanDerWaalsContact O-N 3.08Å; L282-F714 WeakPolarHBondContact CD1-O 3.31Å; L282-F714 HydrophobicContact CD2-CB 4.04Å; L282-F714 WeakPolarHBondContact CD2-O 3.47Å; L282-F714 HydrophobicContact CG-CB 3.98Å; L282-F714 WeakPolarHBondContact CG-O 3.41Å; L282-I715 HydrophobicContact CD1-CB 4.43Å; L282-I715 HydrophobicContact CD1-CG1 4.32Å; L282-I715 HydrophobicContact CD1-CG2 4.44Å |
| 283 | S | 42.7 | Very low | 68.4 | Low | 79 Ų | 79 | 88.4 Ų | 88.4 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -71.7 | 100.1 | 167.6 | 59.9 | 0 | 0 | 0 | 0 | 108.6 | P281 K285 | P281-S283 VanDerWaalsContact C-N 3.27Å; P281-S283 CarbonylContact O-C 3.6Å; P281-S283 PolarHBondContact O-N 2.98Å; P281-S283 VanDerWaalsContact O-N 3.11Å; S283-K285 PolarHBondContact O-N 3.42Å |
| 284 | E | 48.7 | Very low | 69 | Low | 81 Ų | 81 | 88.6 Ų | 88.6 | 38% | 0.379 | 42% | 0.422 | S | S | . | . | trans | -48.7 | 114.6 | 150.3 | -87.8 | -162.3 | 128.4 | 0 | 0 | 106.8 | L282 Y286 R350 | L282-E284 PolarHBondContact O-N 3.44Å; L282-E284 VanDerWaalsContact O-N 3.08Å; E284-Y286 VanDerWaalsContact C-N 3.25Å; E284-Y286 PolarHBondContact O-N 3.46Å; E284-R350 IonicContact OE2-CZ 2.72Å; E284-R350 VanDerWaalsContact OE2-CZ 3.22Å; E284-R350 IonicContact OE2-NH1 2.97Å; E284-R350 PolarHBondContact OE2-NH1 3.04Å; E284-R350 IonicContact OE2-NH2 3.52Å; E284-R350 PolarHBondContact OE2-NH2 3.47Å | ||
| 285 | K | 51.9 | Low | 69.7 | Low | 188 Ų | 188 | 88.1 Ų | 88.1 | 82% | 0.817 | 43% | 0.428 | S | S | * | . | trans | -67.7 | 96.1 | 170.6 | -72 | -174.2 | 176.5 | -176.6 | 0 | 105.7 | S283 N287 | S283-K285 PolarHBondContact O-N 3.42Å; K285-N287 PolarHBondContact O-N 3.13Å | ||
| 286 | Y | 63.3 | Low | 70.7 | Confident | 88 Ų | 88 | 83.5 Ų | 83.5 | 35% | 0.345 | 41% | 0.411 | S | S | . | . | trans | -41.3 | 127.1 | 174 | -53.1 | -60 | 0 | 0 | 0 | 107.8 | E284 P288 H370 F371 | E284-Y286 VanDerWaalsContact C-N 3.25Å; E284-Y286 PolarHBondContact O-N 3.46Å; Y286-P288 WeakPolarHBondContact O-CD 3.21Å; Y286-H370 AromaticContact CE1-CE1 3.67Å; Y286-F371 AromaticContact CD1-CD2 3.75Å; Y286-F371 HydrophobicContact CD1-CD2 3.75Å; Y286-F371 AromaticContact CD1-CE2 3.71Å; Y286-F371 HydrophobicContact CD1-CE2 3.71Å; Y286-F371 HydrophobicContact CD2-CE2 4.08Å; Y286-F371 HydrophobicContact CE1-CD2 4.23Å; Y286-F371 AromaticContact CE1-CE2 3.84Å; Y286-F371 HydrophobicContact CE1-CE2 3.84Å; Y286-F371 HydrophobicContact CE2-CE2 4.18Å; Y286-F371 HydrophobicContact CG-CD2 4.01Å; Y286-F371 AromaticContact CG-CE2 3.84Å; Y286-F371 HydrophobicContact CG-CE2 3.84Å | ||
| 287 | N | 73.8 | Confident | 72 | Confident | 90 Ų | 90 | 78.9 Ų | 78.9 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | trans | -58.3 | 110.7 | -179.6 | -179.1 | -6.2 | 0 | 0 | 0 | 107.4 | K285 R289 G290 L291 | K285-N287 PolarHBondContact O-N 3.13Å; N287-R289 PolarHBondContact O-N 2.74Å; N287-R289 VanDerWaalsContact O-N 3.08Å; N287-R289 VanDerWaalsContact OD1-CA 3.29Å; N287-R289 WeakPolarHBondContact OD1-CA 3.4Å; N287-R289 PolarHBondContact OD1-N 2.89Å; N287-G290 PolarHBondContact O-N 3.29Å; N287-L291 PolarHBondContact O-N 3.42Å | ||
| 288 | P | 82.7 | Confident | 73 | Confident | 93 Ų | 93 | 81.5 Ų | 81.5 | 60% | 0.604 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.6 | -27.2 | -175.5 | 26.1 | -34 | 0 | 0 | 0 | 110 | Y286 G290 L291 F292 | Y286-P288 WeakPolarHBondContact O-CD 3.21Å; P288-G290 PolarHBondContact O-N 2.98Å; P288-L291 PolarHBondContact O-N 3.45Å; P288-F292 VanDerWaalsContact O-CB 3.24Å; P288-F292 WeakPolarHBondContact O-CB 3.37Å; P288-F292 PolarHBondContact O-N 2.91Å |
| 289 | R | 85.5 | Confident | 74.5 | Confident | 196 Ų | 196 | 73.6 Ų | 73.6 | 74% | 0.74 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -35 | -66 | 160 | 56.6 | 139.6 | 170.7 | 136 | -6.4 | 113 | N287 L293 | N287-R289 PolarHBondContact O-N 2.74Å; N287-R289 VanDerWaalsContact O-N 3.08Å; N287-R289 VanDerWaalsContact OD1-CA 3.29Å; N287-R289 WeakPolarHBondContact OD1-CA 3.4Å; N287-R289 PolarHBondContact OD1-N 2.89Å; R289-L293 WeakPolarHBondContact O-CB 3.46Å; R289-L293 WeakPolarHBondContact O-CD1 3.24Å; R289-L293 WeakPolarHBondContact O-CG 3.1Å; R289-L293 PolarHBondContact O-N 3.49Å; R289-L293 VanDerWaalsContact O-N 3.09Å |
| 290 | G | 84.6 | Confident | 76.5 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -75.5 | -36.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N287 P288 L293 F294 Q375 | N287-G290 PolarHBondContact O-N 3.29Å; P288-G290 PolarHBondContact O-N 2.98Å; G290-L293 PolarHBondContact O-N 2.79Å; G290-F294 VanDerWaalsContact O-CB 3.24Å; G290-F294 WeakPolarHBondContact O-CB 3.45Å; G290-F294 PolarHBondContact O-N 3.2Å; G290-Q375 VanDerWaalsContact CA-OE1 3.25Å |
| 291 | L | 88.6 | Confident | 79 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.8 | 179.5 | 59 | 0 | 0 | 0 | 111.8 | N287 P288 F294 G295 F371 L842 | N287-L291 PolarHBondContact O-N 3.42Å; P288-L291 PolarHBondContact O-N 3.45Å; L291-F294 HydrophobicContact CD1-CD1 4.38Å; L291-G295 PolarHBondContact O-N 3.4Å; L291-F371 HydrophobicContact CD1-CD1 3.77Å; L291-F371 HydrophobicContact CD1-CE1 3.61Å; L291-F371 HydrophobicContact CD1-CE2 4.43Å; L291-F371 HydrophobicContact CD1-CG 4.26Å; L291-F371 HydrophobicContact CD1-CZ 3.97Å; L291-L842 HydrophobicContact CD1-CD1 4.19Å; L291-L842 HydrophobicContact CD2-CD1 4.05Å; L291-L842 HydrophobicContact CD2-CD2 4.46Å; L291-L842 HydrophobicContact CG-CD1 4.49Å |
| 292 | F | 92.8 | Very high | 81.8 | Confident | 140 Ų | 140 | 72.9 Ų | 72.9 | 61% | 0.614 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.9 | -48.2 | 174.6 | 174.9 | -98.3 | 0 | 0 | 0 | 111.8 | P288 F294 G295 L296 | P288-F292 VanDerWaalsContact O-CB 3.24Å; P288-F292 WeakPolarHBondContact O-CB 3.37Å; P288-F292 PolarHBondContact O-N 2.91Å; F292-F294 PolarHBondContact O-N 3.18Å; F292-G295 PolarHBondContact O-N 2.61Å; F292-L296 HydrophobicContact CE1-CD2 4.41Å; F292-L296 WeakPolarHBondContact O-CB 3.46Å; F292-L296 PolarHBondContact O-N 3.23Å |
| 293 | L | 93.3 | Very high | 84.4 | Confident | 56 Ų | 56 | 72.7 Ų | 72.7 | 29% | 0.293 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | -179.8 | -71.2 | 170.2 | 0 | 0 | 0 | 112.7 | R289 G290 L296 F297 Q375 | R289-L293 WeakPolarHBondContact O-CB 3.46Å; R289-L293 WeakPolarHBondContact O-CD1 3.24Å; R289-L293 WeakPolarHBondContact O-CG 3.1Å; R289-L293 PolarHBondContact O-N 3.49Å; R289-L293 VanDerWaalsContact O-N 3.09Å; G290-L293 PolarHBondContact O-N 2.79Å; L293-L296 HydrophobicContact CD2-CD2 4.39Å; L293-L296 PolarHBondContact O-N 3.08Å; L293-F297 HydrophobicContact CB-CE2 4.17Å; L293-F297 HydrophobicContact CD2-CZ 4.35Å; L293-F297 WeakPolarHBondContact O-CD2 3.3Å; L293-F297 WeakPolarHBondContact O-CG 3.3Å; L293-F297 PolarHBondContact O-N 2.84Å; L293-Q375 HydrophobicContact CB-CG 4.05Å |
| 294 | F | 93.9 | Very high | 87 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.018 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 169.8 | 160.1 | -130.3 | 0 | 0 | 0 | 111.2 | G290 L291 F292 L296 F297 F298 F371 L374 Q375 F378 F835 M839 | G290-F294 VanDerWaalsContact O-CB 3.24Å; G290-F294 WeakPolarHBondContact O-CB 3.45Å; G290-F294 PolarHBondContact O-N 3.2Å; L291-F294 HydrophobicContact CD1-CD1 4.38Å; F292-F294 PolarHBondContact O-N 3.18Å; F294-L296 VanDerWaalsContact C-N 3.3Å; F294-L296 PolarHBondContact O-N 3.47Å; F294-F297 PolarHBondContact O-N 3.4Å; F294-F298 HydrophobicContact CD2-CB 4.41Å; F294-F298 HydrophobicContact CE2-CB 4.15Å; F294-F298 VanDerWaalsContact O-CB 3.24Å; F294-F298 WeakPolarHBondContact O-CB 3.31Å; F294-F298 PolarHBondContact O-N 3.28Å; F294-F371 AromaticContact CD1-CD1 3.82Å; F294-F371 HydrophobicContact CD1-CD1 3.82Å; F294-F371 HydrophobicContact CD1-CE1 4.36Å; F294-F371 HydrophobicContact CE1-CD1 4.06Å; F294-F371 HydrophobicContact CE1-CE1 4.25Å; F294-L374 HydrophobicContact CD2-CB 3.8Å; F294-L374 HydrophobicContact CE1-CD1 4.18Å; F294-L374 HydrophobicContact CE2-CB 3.84Å; F294-L374 HydrophobicContact CE2-CD1 4.42Å; F294-L374 HydrophobicContact CG-CB 4.19Å; F294-L374 HydrophobicContact CZ-CB 4.23Å; F294-L374 HydrophobicContact CZ-CD1 4Å; F294-Q375 HydrophobicContact CB-CB 4.09Å; F294-F378 AromaticContact CD2-CD2 3.85Å; F294-F378 HydrophobicContact CD2-CD2 3.85Å; F294-F378 AromaticContact CE2-CD2 3.56Å; F294-F378 HydrophobicContact CE2-CD2 3.56Å; F294-F378 AromaticContact CE2-CE2 3.81Å; F294-F378 HydrophobicContact CE2-CE2 3.81Å; F294-F835 HydrophobicContact CZ-CZ 4.31Å; F294-M839 HydrophobicContact CD1-CE 4.42Å; F294-M839 HydrophobicContact CE1-CE 3.5Å; F294-M839 HydrophobicContact CE1-SD 3.72Å; F294-M839 HydrophobicContact CZ-CE 3.6Å; F294-M839 HydrophobicContact CZ-SD 4.28Å |
| 295 | G | 94.8 | Very high | 89.3 | Confident | 32 Ų | 32 | 71 Ų | 71 | 33% | 0.33 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L291 F292 G299 | L291-G295 PolarHBondContact O-N 3.4Å; F292-G295 PolarHBondContact O-N 2.61Å; G295-G299 PolarHBondContact O-N 2.77Å |
| 296 | L | 96.4 | Very high | 91.4 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 42% | 0.424 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -53.7 | 175.7 | -179.9 | 63.5 | 0 | 0 | 0 | 111.9 | F292 L293 F294 F298 G299 V300 | F292-L296 HydrophobicContact CE1-CD2 4.41Å; F292-L296 WeakPolarHBondContact O-CB 3.46Å; F292-L296 PolarHBondContact O-N 3.23Å; L293-L296 HydrophobicContact CD2-CD2 4.39Å; L293-L296 PolarHBondContact O-N 3.08Å; F294-L296 VanDerWaalsContact C-N 3.3Å; F294-L296 PolarHBondContact O-N 3.47Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 2.81Å; L296-G299 PolarHBondContact O-N 3.42Å; L296-V300 HydrophobicContact CD1-CG2 4.42Å; L296-V300 WeakPolarHBondContact O-CG2 3.32Å; L296-V300 PolarHBondContact O-N 3.22Å |
| 297 | F | 97.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 65 Ų | 65 | 13% | 0.132 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65 | -35.3 | -179.8 | -59.8 | -35.1 | 0 | 0 | 0 | 112.3 | L293 F294 F301 Q375 F378 F379 M382 | L293-F297 HydrophobicContact CB-CE2 4.17Å; L293-F297 HydrophobicContact CD2-CZ 4.35Å; L293-F297 WeakPolarHBondContact O-CD2 3.3Å; L293-F297 WeakPolarHBondContact O-CG 3.3Å; L293-F297 PolarHBondContact O-N 2.84Å; F294-F297 PolarHBondContact O-N 3.4Å; F297-F301 VanDerWaalsContact O-CB 3.25Å; F297-F301 WeakPolarHBondContact O-CB 3.39Å; F297-F301 PolarHBondContact O-N 2.89Å; F297-Q375 HydrophobicContact CD2-CG 4.03Å; F297-Q375 HydrophobicContact CE2-CG 3.92Å; F297-F378 HydrophobicContact CB-CB 3.84Å; F297-F379 HydrophobicContact CD2-CB 3.79Å; F297-F379 HydrophobicContact CD2-CD2 4.45Å; F297-F379 HydrophobicContact CE1-CD2 4.12Å; F297-F379 HydrophobicContact CE2-CB 3.84Å; F297-F379 AromaticContact CE2-CD2 3.92Å; F297-F379 HydrophobicContact CE2-CD2 3.92Å; F297-F379 HydrophobicContact CE2-CG 4.27Å; F297-F379 HydrophobicContact CG-CB 4.42Å; F297-F379 AromaticContact CZ-CD2 3.74Å; F297-F379 HydrophobicContact CZ-CD2 3.74Å; F297-M382 HydrophobicContact CD1-CE 4.1Å; F297-M382 HydrophobicContact CD1-SD 3.74Å; F297-M382 HydrophobicContact CE1-CE 4.16Å; F297-M382 HydrophobicContact CE1-SD 4.27Å |
| 298 | F | 96.7 | Very high | 93.9 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 172.2 | 177.4 | -102.9 | 0 | 0 | 0 | 111.8 | F294 L296 F301 L302 F378 | F294-F298 HydrophobicContact CD2-CB 4.41Å; F294-F298 HydrophobicContact CE2-CB 4.15Å; F294-F298 VanDerWaalsContact O-CB 3.24Å; F294-F298 WeakPolarHBondContact O-CB 3.31Å; F294-F298 PolarHBondContact O-N 3.28Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 2.81Å; F298-F301 PolarHBondContact O-N 2.95Å; F298-L302 HydrophobicContact CE1-CD2 4.48Å; F298-L302 WeakPolarHBondContact O-CB 3.43Å; F298-L302 PolarHBondContact O-N 3.07Å; F298-F378 HydrophobicContact CB-CD1 4.46Å; F298-F378 HydrophobicContact CB-CG 4.33Å; F298-F378 HydrophobicContact CD2-CD1 4.02Å; F298-F378 HydrophobicContact CD2-CD2 4.42Å; F298-F378 AromaticContact CD2-CE1 3.63Å; F298-F378 HydrophobicContact CD2-CE1 3.63Å; F298-F378 HydrophobicContact CD2-CE2 4.05Å; F298-F378 HydrophobicContact CD2-CG 4.42Å; F298-F378 AromaticContact CD2-CZ 3.65Å; F298-F378 HydrophobicContact CD2-CZ 3.65Å; F298-F378 HydrophobicContact CE2-CE1 4.21Å; F298-F378 HydrophobicContact CE2-CZ 4.1Å |
| 299 | G | 97.3 | Very high | 94.3 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G295 L296 L302 A303 | G295-G299 PolarHBondContact O-N 2.77Å; L296-G299 PolarHBondContact O-N 3.42Å; G299-L302 PolarHBondContact O-N 2.85Å; G299-A303 PolarHBondContact O-N 3.24Å; G299-A303 VanDerWaalsContact O-N 3.07Å |
| 300 | V | 97.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 56 Ų | 56 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 111 | L296 L302 A303 Q304 M382 | L296-V300 HydrophobicContact CD1-CG2 4.42Å; L296-V300 WeakPolarHBondContact O-CG2 3.32Å; L296-V300 PolarHBondContact O-N 3.22Å; V300-L302 VanDerWaalsContact C-N 3.34Å; V300-L302 PolarHBondContact O-N 3.2Å; V300-A303 PolarHBondContact O-N 3.07Å; V300-Q304 WeakPolarHBondContact O-CG 3.26Å; V300-Q304 PolarHBondContact O-N 3.46Å; V300-M382 HydrophobicContact CB-CG 4.43Å; V300-M382 HydrophobicContact CB-SD 4.36Å; V300-M382 HydrophobicContact CG1-CG 3.81Å; V300-M382 HydrophobicContact CG1-SD 4.02Å |
| 301 | F | 97.4 | Very high | 95 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 176.8 | 178.5 | -109.2 | 0 | 0 | 0 | 112.5 | F297 F298 Q304 F305 F378 A381 W384 | F297-F301 VanDerWaalsContact O-CB 3.25Å; F297-F301 WeakPolarHBondContact O-CB 3.39Å; F297-F301 PolarHBondContact O-N 2.89Å; F298-F301 PolarHBondContact O-N 2.95Å; F301-Q304 PolarHBondContact O-N 3.31Å; F301-F305 WeakPolarHBondContact O-CB 3.33Å; F301-F305 PolarHBondContact O-N 2.84Å; F301-F378 HydrophobicContact CB-CD1 4.28Å; F301-F378 AromaticContact CD1-CD1 3.86Å; F301-F378 HydrophobicContact CD1-CD1 3.86Å; F301-F378 AromaticContact CD1-CE1 3.77Å; F301-F378 HydrophobicContact CD1-CE1 3.77Å; F301-F378 HydrophobicContact CE1-CE1 4.25Å; F301-F378 HydrophobicContact CG-CD1 4.29Å; F301-A381 HydrophobicContact CD1-CB 4.09Å; F301-A381 HydrophobicContact CD2-CB 3.62Å; F301-A381 WeakPolarHBondContact CD2-O 3.1Å; F301-A381 HydrophobicContact CE1-CB 4.21Å; F301-A381 HydrophobicContact CE2-CB 3.75Å; F301-A381 WeakPolarHBondContact CE2-O 3.41Å; F301-A381 HydrophobicContact CG-CB 3.78Å; F301-A381 HydrophobicContact CZ-CB 4.04Å; F301-W384 HydrophobicContact CE2-CE3 4.28Å |
| 302 | L | 96.7 | Very high | 95 | Very high | 83 Ų | 83 | 56.6 Ų | 56.6 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 174.9 | -178.1 | 61.6 | 0 | 0 | 0 | 111.6 | F298 G299 V300 F305 I306 | F298-L302 HydrophobicContact CE1-CD2 4.48Å; F298-L302 WeakPolarHBondContact O-CB 3.43Å; F298-L302 PolarHBondContact O-N 3.07Å; G299-L302 PolarHBondContact O-N 2.85Å; V300-L302 VanDerWaalsContact C-N 3.34Å; V300-L302 PolarHBondContact O-N 3.2Å; L302-F305 PolarHBondContact O-N 3.15Å; L302-I306 HydrophobicContact CG-CD1 4.4Å; L302-I306 WeakPolarHBondContact O-CG1 3.2Å; L302-I306 PolarHBondContact O-N 2.96Å |
| 303 | A | 97.3 | Very high | 94.8 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | G299 V300 F305 I306 V307 | G299-A303 PolarHBondContact O-N 3.24Å; G299-A303 VanDerWaalsContact O-N 3.07Å; V300-A303 PolarHBondContact O-N 3.07Å; A303-F305 PolarHBondContact O-N 3.32Å; A303-I306 PolarHBondContact O-N 2.98Å; A303-V307 WeakPolarHBondContact O-CG2 3.5Å; A303-V307 PolarHBondContact O-N 2.86Å |
| 304 | Q | 96.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 174 | -71.3 | 171.1 | -16.6 | 0 | 0 | 112.4 | V300 F301 I306 V307 I308 M382 C386 I389 | V300-Q304 WeakPolarHBondContact O-CG 3.26Å; V300-Q304 PolarHBondContact O-N 3.46Å; F301-Q304 PolarHBondContact O-N 3.31Å; Q304-I306 VanDerWaalsContact C-N 3.33Å; Q304-I306 PolarHBondContact O-N 2.7Å; Q304-V307 PolarHBondContact O-N 3.04Å; Q304-I308 WeakPolarHBondContact O-CB 3.45Å; Q304-I308 WeakPolarHBondContact O-CD1 3.47Å; Q304-I308 VanDerWaalsContact O-CG1 3.26Å; Q304-I308 WeakPolarHBondContact O-CG1 3.45Å; Q304-I308 PolarHBondContact O-N 2.61Å; Q304-M382 PolarHBondContact NE2-O 3.43Å; Q304-M382 PolarHBondContact OE1-O 3.09Å; Q304-C386 PolarHBondContact NE2-SG 2.91Å; Q304-I389 HydrophobicContact CB-CD1 3.99Å; Q304-I389 HydrophobicContact CG-CD1 4Å |
| 305 | F | 95.8 | Very high | 93.8 | Very high | 103 Ų | 103 | 63.3 Ų | 63.3 | 45% | 0.452 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 178.2 | -178.2 | -94.6 | 0 | 0 | 0 | 111.6 | F301 L302 A303 I308 L309 | F301-F305 WeakPolarHBondContact O-CB 3.33Å; F301-F305 PolarHBondContact O-N 2.84Å; L302-F305 PolarHBondContact O-N 3.15Å; A303-F305 PolarHBondContact O-N 3.32Å; F305-I308 PolarHBondContact O-N 3.14Å; F305-L309 VanDerWaalsContact O-CB 3.29Å; F305-L309 WeakPolarHBondContact O-CB 3.24Å; F305-L309 PolarHBondContact O-N 3.47Å |
| 306 | I | 95.9 | Very high | 92.7 | Very high | 87 Ų | 87 | 69.2 Ų | 69.2 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 172.5 | -67.5 | 163.7 | 0 | 0 | 0 | 110.5 | L302 A303 Q304 I308 L309 L310 | L302-I306 HydrophobicContact CG-CD1 4.4Å; L302-I306 WeakPolarHBondContact O-CG1 3.2Å; L302-I306 PolarHBondContact O-N 2.96Å; A303-I306 PolarHBondContact O-N 2.98Å; Q304-I306 VanDerWaalsContact C-N 3.33Å; Q304-I306 PolarHBondContact O-N 2.7Å; I306-I308 PolarHBondContact O-N 2.8Å; I306-L309 PolarHBondContact O-N 3.46Å; I306-L310 HydrophobicContact CG2-CD1 3.86Å; I306-L310 HydrophobicContact CG2-CG 4.31Å; I306-L310 WeakPolarHBondContact O-CB 3.5Å; I306-L310 VanDerWaalsContact O-CG 3.26Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.44Å |
| 307 | V | 95.2 | Very high | 91.7 | Very high | 64 Ų | 64 | 71 Ų | 71 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | A303 Q304 L309 L310 T311 I389 | A303-V307 WeakPolarHBondContact O-CG2 3.5Å; A303-V307 PolarHBondContact O-N 2.86Å; Q304-V307 PolarHBondContact O-N 3.04Å; V307-L309 VanDerWaalsContact C-N 3.34Å; V307-L309 PolarHBondContact O-N 2.87Å; V307-L310 PolarHBondContact O-N 2.65Å; V307-T311 WeakPolarHBondContact O-CB 3.49Å; V307-T311 PolarHBondContact O-N 3.26Å; V307-T311 PolarHBondContact O-OG1 3.09Å; V307-T311 VanDerWaalsContact O-OG1 3.1Å; V307-I389 HydrophobicContact CB-CD1 4.49Å; V307-I389 HydrophobicContact CG1-CD1 4.2Å |
| 308 | I | 94.2 | Very high | 90.9 | Very high | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 177.3 | -70.1 | 160.1 | 0 | 0 | 0 | 111.1 | Q304 F305 I306 T311 C312 W384 L388 I389 L392 | Q304-I308 WeakPolarHBondContact O-CB 3.45Å; Q304-I308 WeakPolarHBondContact O-CD1 3.47Å; Q304-I308 VanDerWaalsContact O-CG1 3.26Å; Q304-I308 WeakPolarHBondContact O-CG1 3.45Å; Q304-I308 PolarHBondContact O-N 2.61Å; F305-I308 PolarHBondContact O-N 3.14Å; I306-I308 PolarHBondContact O-N 2.8Å; I308-T311 PolarHBondContact O-N 2.74Å; I308-C312 WeakPolarHBondContact O-CB 2.89Å; I308-C312 PolarHBondContact O-N 3.44Å; I308-C312 PolarHBondContact O-SG 2.95Å; I308-C312 VanDerWaalsContact O-SG 3.36Å; I308-W384 HydrophobicContact CD1-CZ3 4.4Å; I308-L388 HydrophobicContact CD1-CB 4.44Å; I308-L388 HydrophobicContact CD1-CD2 4.12Å; I308-L388 HydrophobicContact CD1-CG 4.45Å; I308-L388 HydrophobicContact CG1-CD2 4.48Å; I308-L388 HydrophobicContact CG2-CD2 3.92Å; I308-I389 HydrophobicContact CD1-CD1 4.33Å; I308-I389 HydrophobicContact CD1-CG1 4.02Å; I308-I389 HydrophobicContact CG1-CD1 4.1Å; I308-I389 HydrophobicContact CG1-CG1 3.57Å; I308-L392 HydrophobicContact CG1-CD1 4.42Å; I308-L392 HydrophobicContact CG2-CD1 4.21Å |
| 309 | L | 92.9 | Very high | 90.1 | Very high | 89 Ų | 89 | 68.4 Ų | 68.4 | 47% | 0.466 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 178.1 | -177.9 | 63.3 | 0 | 0 | 0 | 111.6 | F305 I306 V307 C312 I313 | F305-L309 VanDerWaalsContact O-CB 3.29Å; F305-L309 WeakPolarHBondContact O-CB 3.24Å; F305-L309 PolarHBondContact O-N 3.47Å; I306-L309 PolarHBondContact O-N 3.46Å; V307-L309 VanDerWaalsContact C-N 3.34Å; V307-L309 PolarHBondContact O-N 2.87Å; L309-C312 PolarHBondContact O-N 3.1Å; L309-I313 HydrophobicContact CD1-CD1 3.92Å; L309-I313 HydrophobicContact CG-CD1 3.93Å; L309-I313 VanDerWaalsContact O-CG1 3.28Å; L309-I313 WeakPolarHBondContact O-CG1 3.45Å; L309-I313 PolarHBondContact O-N 2.99Å; L309-I313 VanDerWaalsContact O-N 3.09Å |
| 310 | L | 93.2 | Very high | 89.1 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 45% | 0.45 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.9 | -68.8 | 172.6 | 0 | 0 | 0 | 111.4 | I306 V307 I313 F314 | I306-L310 HydrophobicContact CG2-CD1 3.86Å; I306-L310 HydrophobicContact CG2-CG 4.31Å; I306-L310 WeakPolarHBondContact O-CB 3.5Å; I306-L310 VanDerWaalsContact O-CG 3.26Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.44Å; V307-L310 PolarHBondContact O-N 2.65Å; L310-I313 PolarHBondContact O-N 3.49Å; L310-F314 HydrophobicContact CB-CD2 4.42Å; L310-F314 HydrophobicContact CD2-CD2 3.97Å; L310-F314 HydrophobicContact CD2-CE2 3.67Å; L310-F314 WeakPolarHBondContact O-CB 3.14Å; L310-F314 WeakPolarHBondContact O-CD2 3.48Å; L310-F314 PolarHBondContact O-N 2.73Å |
| 311 | T | 91.2 | Very high | 88.1 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 173.8 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | V307 I308 I313 L315 L392 F393 | V307-T311 WeakPolarHBondContact O-CB 3.49Å; V307-T311 PolarHBondContact O-N 3.26Å; V307-T311 PolarHBondContact O-OG1 3.09Å; V307-T311 VanDerWaalsContact O-OG1 3.1Å; I308-T311 PolarHBondContact O-N 2.74Å; T311-I313 PolarHBondContact O-N 2.84Å; T311-L315 HydrophobicContact CG2-CB 4.1Å; T311-L315 HydrophobicContact CG2-CD1 3.94Å; T311-L315 WeakPolarHBondContact O-CA 3.2Å; T311-L315 WeakPolarHBondContact O-CB 3.18Å; T311-L315 PolarHBondContact O-N 3.21Å; T311-L392 HydrophobicContact CG2-CB 4.07Å; T311-L392 HydrophobicContact CG2-CD1 4.03Å; T311-L392 HydrophobicContact CG2-CD2 4.43Å; T311-L392 HydrophobicContact CG2-CG 4.41Å; T311-F393 HydrophobicContact CG2-CE2 4.29Å; T311-F393 HydrophobicContact CG2-CZ 4.44Å |
| 312 | C | 87.8 | Confident | 87.5 | Confident | 43 Ų | 43 | 73.2 Ų | 73.2 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.6 | -20 | -179.1 | -70.6 | 0 | 0 | 0 | 0 | 114.7 | I308 L309 R316 | I308-C312 WeakPolarHBondContact O-CB 2.89Å; I308-C312 PolarHBondContact O-N 3.44Å; I308-C312 PolarHBondContact O-SG 2.95Å; I308-C312 VanDerWaalsContact O-SG 3.36Å; L309-C312 PolarHBondContact O-N 3.1Å; C312-R316 PolarHBondContact O-NE 2.59Å; C312-R316 VanDerWaalsContact O-NE 3.12Å; C312-R316 PolarHBondContact O-NH2 2.7Å |
| 313 | I | 89.2 | Confident | 86.7 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 49% | 0.492 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -89.1 | -57.7 | 175.6 | -67.6 | 168 | 0 | 0 | 0 | 110.8 | L309 L310 T311 | L309-I313 HydrophobicContact CD1-CD1 3.92Å; L309-I313 HydrophobicContact CG-CD1 3.93Å; L309-I313 VanDerWaalsContact O-CG1 3.28Å; L309-I313 WeakPolarHBondContact O-CG1 3.45Å; L309-I313 PolarHBondContact O-N 2.99Å; L309-I313 VanDerWaalsContact O-N 3.09Å; L310-I313 PolarHBondContact O-N 3.49Å; T311-I313 PolarHBondContact O-N 2.84Å |
| 314 | F | 88.6 | Confident | 86.1 | Confident | 158 Ų | 158 | 70.3 Ų | 70.3 | 69% | 0.693 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -93.8 | -30.9 | -167.3 | -65.2 | -74.9 | 0 | 0 | 0 | 114.4 | L310 R316 | L310-F314 HydrophobicContact CB-CD2 4.42Å; L310-F314 HydrophobicContact CD2-CD2 3.97Å; L310-F314 HydrophobicContact CD2-CE2 3.67Å; L310-F314 WeakPolarHBondContact O-CB 3.14Å; L310-F314 WeakPolarHBondContact O-CD2 3.48Å; L310-F314 PolarHBondContact O-N 2.73Å; F314-R316 PolarHBondContact O-N 2.8Å |
| 315 | L | 76.7 | Confident | 85.7 | Confident | 88 Ų | 88 | 69.4 Ų | 69.4 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -89.2 | 90.5 | 177.4 | -72.6 | 164 | 0 | 0 | 0 | 109.2 | T311 F393 | T311-L315 HydrophobicContact CG2-CB 4.1Å; T311-L315 HydrophobicContact CG2-CD1 3.94Å; T311-L315 WeakPolarHBondContact O-CA 3.2Å; T311-L315 WeakPolarHBondContact O-CB 3.18Å; T311-L315 PolarHBondContact O-N 3.21Å; L315-F393 HydrophobicContact CD1-CE1 3.83Å; L315-F393 HydrophobicContact CD1-CZ 3.7Å |
| 316 | R | 72.3 | Confident | 85.3 | Confident | 155 Ų | 155 | 66.7 Ų | 66.7 | 59% | 0.585 | 34% | 0.344 | S | S | * | . | trans | -118.5 | 138 | 171.1 | -66.3 | -65.9 | 177.2 | 148.9 | -5.2 | 109.4 | C312 F314 | C312-R316 PolarHBondContact O-NE 2.59Å; C312-R316 VanDerWaalsContact O-NE 3.12Å; C312-R316 PolarHBondContact O-NH2 2.7Å; F314-R316 PolarHBondContact O-N 2.8Å | ||
| 317 | P | 75.4 | Confident | 85 | Confident | 119 Ų | 119 | 63.7 Ų | 63.7 | 77% | 0.773 | 33% | 0.327 | S | S | * | . | S | Bend | cis | -66.8 | 156.8 | -0.1 | 30 | -36.5 | 0 | 0 | 0 | 113.6 | ||
| 318 | L | 80.3 | Confident | 84.8 | Confident | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.152 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 158.5 | 162.9 | -73.5 | 171.9 | 0 | 0 | 0 | 108.8 | Y322 L392 | L318-Y322 HydrophobicContact CB-CD1 4.23Å; L318-L392 HydrophobicContact CD2-CD2 3.87Å |
| 319 | P | 80.2 | Confident | 84.8 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 139.3 | 177.5 | -30 | 35.7 | 0 | 0 | 0 | 113.3 | Y322 F391 L392 E395 | P319-Y322 WeakPolarHBondContact O-CB 3.49Å; P319-Y322 PolarHBondContact O-N 3.02Å; P319-F391 HydrophobicContact CB-CE1 4.39Å; P319-F391 HydrophobicContact CB-CZ 4.37Å; P319-L392 WeakPolarHBondContact CG-O 3.4Å; P319-E395 WeakPolarHBondContact CA-OE2 3.24Å; P319-E395 HydrophobicContact CB-CG 4.44Å |
| 320 | P | 75.7 | Confident | 84.8 | Confident | 73 Ų | 73 | 57 Ų | 57 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 145.9 | 180 | 27.4 | -33.9 | 0 | 0 | 0 | 110 | Y322 E395 | P320-Y322 VanDerWaalsContact C-N 3.29Å; P320-Y322 PolarHBondContact O-N 3.41Å; P320-E395 WeakPolarHBondContact CD-OE1 3.46Å; P320-E395 WeakPolarHBondContact CD-OE2 3.34Å; P320-E395 WeakPolarHBondContact CG-OE1 3.45Å |
| 321 | H | 78 | Confident | 84.7 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 43% | 0.426 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 31.5 | -177.3 | -44.6 | -78.8 | 0 | 0 | 0 | 115.1 | L323 P324 Y402 Y486 | H321-L323 PolarHBondContact O-N 2.89Å; H321-L323 VanDerWaalsContact O-N 3.09Å; H321-P324 VanDerWaalsContact O-CD 3.3Å; H321-P324 WeakPolarHBondContact O-CD 3.32Å; H321-Y402 PolarHBondContact O-OH 2.66Å; H321-Y486 HydrophobicContact CB-CD1 3.98Å; H321-Y486 HydrophobicContact CB-CE1 3.62Å; H321-Y486 AromaticContact CG-CE1 3.67Å |
| 322 | Y | 83.3 | Confident | 84.9 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -17.7 | 173.5 | 75.2 | -93.3 | 0 | 0 | 0 | 115 | L318 P319 P320 A325 L326 | L318-Y322 HydrophobicContact CB-CD1 4.23Å; P319-Y322 WeakPolarHBondContact O-CB 3.49Å; P319-Y322 PolarHBondContact O-N 3.02Å; P320-Y322 VanDerWaalsContact C-N 3.29Å; P320-Y322 PolarHBondContact O-N 3.41Å; Y322-A325 WeakPolarHBondContact O-CB 3.49Å; Y322-A325 PolarHBondContact O-N 3.48Å; Y322-L326 PolarHBondContact O-N 2.98Å |
| 323 | L | 81.4 | Confident | 85.3 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 29% | 0.293 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.6 | -52.1 | -177.5 | -71.7 | 171.7 | 0 | 0 | 0 | 113 | H321 A325 L326 R327 | H321-L323 PolarHBondContact O-N 2.89Å; H321-L323 VanDerWaalsContact O-N 3.09Å; L323-A325 VanDerWaalsContact C-N 3.26Å; L323-A325 PolarHBondContact O-N 3.18Å; L323-L326 WeakPolarHBondContact O-CB 3.49Å; L323-L326 PolarHBondContact O-N 3.28Å; L323-L326 VanDerWaalsContact O-N 3.15Å; L323-R327 PolarHBondContact O-N 3.14Å |
| 324 | P | 84 | Confident | 85.7 | Confident | 21 Ų | 21 | 50 Ų | 50 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -48.8 | -42.7 | 165.3 | -32.1 | 32.2 | 0 | 0 | 0 | 114.4 | H321 L326 R327 L328 Y402 F473 | H321-P324 VanDerWaalsContact O-CD 3.3Å; H321-P324 WeakPolarHBondContact O-CD 3.32Å; P324-L326 PolarHBondContact O-N 3.25Å; P324-R327 PolarHBondContact O-N 3.35Å; P324-L328 WeakPolarHBondContact O-CG 3.24Å; P324-L328 PolarHBondContact O-N 3.41Å; P324-L328 VanDerWaalsContact O-N 3.08Å; P324-Y402 HydrophobicContact CB-CE1 4.43Å; P324-F473 HydrophobicContact CB-CE2 3.83Å |
| 325 | A | 88 | Confident | 86 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y322 L323 R327 L328 F329 F391 Y402 | Y322-A325 WeakPolarHBondContact O-CB 3.49Å; Y322-A325 PolarHBondContact O-N 3.48Å; L323-A325 VanDerWaalsContact C-N 3.26Å; L323-A325 PolarHBondContact O-N 3.18Å; A325-R327 VanDerWaalsContact C-N 3.3Å; A325-R327 PolarHBondContact O-N 2.66Å; A325-L328 PolarHBondContact O-N 2.91Å; A325-L328 VanDerWaalsContact O-N 3.17Å; A325-F329 VanDerWaalsContact O-CD2 3.26Å; A325-F329 WeakPolarHBondContact O-CD2 3.37Å; A325-F329 PolarHBondContact O-N 3.12Å; A325-F391 HydrophobicContact CB-CD1 4.22Å; A325-F391 HydrophobicContact CB-CD2 4.02Å; A325-F391 HydrophobicContact CB-CE1 3.67Å; A325-F391 HydrophobicContact CB-CE2 3.44Å; A325-F391 VanDerWaalsContact CB-CE2 3.44Å; A325-F391 HydrophobicContact CB-CG 4.4Å; A325-F391 HydrophobicContact CB-CZ 3.26Å; A325-Y402 HydrophobicContact CB-CE1 3.9Å |
| 326 | L | 88.1 | Confident | 87 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -43.2 | 174.9 | -167 | 160.2 | 0 | 0 | 0 | 111.1 | Y322 L323 P324 F329 R330 E674 I675 T678 | Y322-L326 PolarHBondContact O-N 2.98Å; L323-L326 WeakPolarHBondContact O-CB 3.49Å; L323-L326 PolarHBondContact O-N 3.28Å; L323-L326 VanDerWaalsContact O-N 3.15Å; P324-L326 PolarHBondContact O-N 3.25Å; L326-F329 PolarHBondContact O-N 3.48Å; L326-R330 WeakPolarHBondContact O-CB 3.15Å; L326-R330 PolarHBondContact O-N 2.99Å; L326-E674 HydrophobicContact CD2-CB 4.31Å; L326-I675 HydrophobicContact CD1-CG1 3.83Å; L326-T678 VanDerWaalsContact CD2-OG1 3.28Å; L326-T678 WeakPolarHBondContact CD2-OG1 3.41Å |
| 327 | R | 88.5 | Confident | 88.1 | Confident | 23 Ų | 23 | 37 Ų | 37 | 9% | 0.087 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.5 | -176.6 | 154.3 | 176.2 | -177.7 | -14.1 | 113 | L323 P324 A325 R330 D466 Y469 E532 E674 | L323-R327 PolarHBondContact O-N 3.14Å; P324-R327 PolarHBondContact O-N 3.35Å; A325-R327 VanDerWaalsContact C-N 3.3Å; A325-R327 PolarHBondContact O-N 2.66Å; R327-R330 PolarHBondContact O-N 3.28Å; R327-D466 IonicContact NE-OD1 3.8Å; R327-Y469 HydrophobicContact CB-CE1 4.13Å; R327-Y469 HydrophobicContact CG-CD1 3.75Å; R327-Y469 HydrophobicContact CG-CE1 3.78Å; R327-Y469 HydrophobicContact CG-CG 4.33Å; R327-E532 IonicContact CZ-OE1 2.7Å; R327-E532 IonicContact NH1-OE1 2.8Å; R327-E532 PolarHBondContact NH1-OE1 2.73Å; R327-E532 IonicContact NH2-OE1 2.65Å; R327-E674 WeakPolarHBondContact CD-OE1 3.2Å; R327-E674 IonicContact CZ-OE1 3.75Å; R327-E674 IonicContact NE-OE1 2.86Å; R327-E674 IonicContact NH1-OE1 2.66Å; R327-E674 PolarHBondContact NH1-OE1 2.86Å |
| 328 | L | 91.7 | Very high | 89.2 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 175.8 | -63.8 | 167.4 | 0 | 0 | 0 | 112.4 | P324 A325 Y402 P405 Y469 F470 F473 Y474 | P324-L328 WeakPolarHBondContact O-CG 3.24Å; P324-L328 PolarHBondContact O-N 3.41Å; P324-L328 VanDerWaalsContact O-N 3.08Å; A325-L328 PolarHBondContact O-N 2.91Å; A325-L328 VanDerWaalsContact O-N 3.17Å; L328-Y402 HydrophobicContact CD1-CD1 3.96Å; L328-Y402 HydrophobicContact CD1-CE1 4.38Å; L328-P405 HydrophobicContact CB-CB 3.92Å; L328-P405 HydrophobicContact CB-CG 4.27Å; L328-P405 HydrophobicContact CD1-CG 4.25Å; L328-Y469 HydrophobicContact CD2-CD1 4.22Å; L328-Y469 HydrophobicContact CD2-CE1 4.15Å; L328-Y469 HydrophobicContact CG-CE1 4.35Å; L328-F470 HydrophobicContact CD2-CB 4.09Å; L328-F470 HydrophobicContact CD2-CD2 3.74Å; L328-F470 HydrophobicContact CD2-CG 4.25Å; L328-F473 HydrophobicContact CD1-CD1 3.76Å; L328-F473 HydrophobicContact CD1-CE1 3.58Å; L328-F473 HydrophobicContact CD1-CE2 4.42Å; L328-F473 HydrophobicContact CD1-CG 4.26Å; L328-F473 HydrophobicContact CD1-CZ 3.96Å; L328-F473 HydrophobicContact CD2-CB 4.46Å; L328-F473 HydrophobicContact CD2-CD1 4.27Å; L328-F473 HydrophobicContact CD2-CG 4.37Å; L328-Y474 HydrophobicContact CD2-CE2 4.21Å |
| 329 | F | 94.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -81 | -23.4 | 176.5 | -78.9 | -67.8 | 0 | 0 | 0 | 114.1 | A325 L326 T332 F333 W384 A387 L388 F391 P405 L408 | A325-F329 VanDerWaalsContact O-CD2 3.26Å; A325-F329 WeakPolarHBondContact O-CD2 3.37Å; A325-F329 PolarHBondContact O-N 3.12Å; L326-F329 PolarHBondContact O-N 3.48Å; F329-T332 PolarHBondContact O-OG1 3.05Å; F329-F333 VanDerWaalsContact O-CB 3.24Å; F329-F333 WeakPolarHBondContact O-CB 3.21Å; F329-F333 PolarHBondContact O-N 3.33Å; F329-W384 HydrophobicContact CB-CZ2 4.45Å; F329-W384 AromaticContact CD1-NE1 3.84Å; F329-W384 PolarHBondContact O-NE1 2.87Å; F329-A387 HydrophobicContact CE1-CB 3.81Å; F329-A387 HydrophobicContact CZ-CB 4.26Å; F329-L388 HydrophobicContact CD2-CD1 4.01Å; F329-L388 HydrophobicContact CE1-CB 4.37Å; F329-L388 HydrophobicContact CE2-CD1 4.03Å; F329-L388 HydrophobicContact CG-CD1 4.47Å; F329-L388 HydrophobicContact CZ-CB 4.43Å; F329-L388 HydrophobicContact CZ-CD1 4.49Å; F329-F391 HydrophobicContact CE2-CB 3.78Å; F329-F391 HydrophobicContact CE2-CD1 4.48Å; F329-F391 HydrophobicContact CE2-CD2 4.43Å; F329-F391 AromaticContact CE2-CG 3.96Å; F329-F391 HydrophobicContact CE2-CG 3.96Å; F329-F391 HydrophobicContact CZ-CB 4.05Å; F329-P405 HydrophobicContact CE1-CB 4.3Å; F329-P405 HydrophobicContact CE2-CB 4.37Å; F329-P405 HydrophobicContact CE2-CG 4.11Å; F329-P405 HydrophobicContact CZ-CB 4.18Å; F329-P405 HydrophobicContact CZ-CG 4.14Å; F329-L408 HydrophobicContact CD1-CD2 4.03Å; F329-L408 HydrophobicContact CE1-CD2 4Å |
| 330 | R | 93 | Very high | 90.7 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 5% | 0.045 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -52.9 | 179.2 | 171.7 | 174.7 | 71.8 | -147.2 | 1.6 | 112.6 | L326 R327 T332 F333 L334 D466 E674 T678 | L326-R330 WeakPolarHBondContact O-CB 3.15Å; L326-R330 PolarHBondContact O-N 2.99Å; R327-R330 PolarHBondContact O-N 3.28Å; R330-T332 VanDerWaalsContact C-N 3.27Å; R330-T332 PolarHBondContact O-N 3.2Å; R330-F333 PolarHBondContact O-N 3.02Å; R330-L334 HydrophobicContact CG-CD1 3.6Å; R330-L334 HydrophobicContact CG-CG 4.23Å; R330-L334 WeakPolarHBondContact O-CG 3.21Å; R330-L334 PolarHBondContact O-N 2.99Å; R330-D466 IonicContact CZ-OD1 3.14Å; R330-D466 IonicContact CZ-OD2 3.9Å; R330-D466 IonicContact NE-OD1 2.73Å; R330-D466 IonicContact NE-OD2 3.56Å; R330-D466 PolarHBondContact NE-OD2 2.9Å; R330-D466 IonicContact NH2-OD1 3.64Å; R330-D466 PolarHBondContact NH2-OD1 3.49Å; R330-D466 IonicContact NH2-OD2 3.52Å; R330-D466 PolarHBondContact NH2-OD2 3.44Å; R330-E674 IonicContact CZ-OE2 3.62Å; R330-E674 IonicContact NH1-OE2 2.61Å; R330-E674 PolarHBondContact NH1-OE2 3.02Å; R330-E674 IonicContact NH2-OE2 2.68Å; R330-T678 WeakPolarHBondContact CD-OG1 3.44Å; R330-T678 HydrophobicContact CG-CG2 4.29Å |
| 331 | G | 91.9 | Very high | 91.7 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 17% | 0.165 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -38.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L335 | G331-L335 WeakPolarHBondContact O-CB 3.35Å; G331-L335 PolarHBondContact O-N 3.4Å |
| 332 | T | 95.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 7% | 0.067 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -75.9 | -41.9 | 175.7 | 51 | 0 | 0 | 0 | 0 | 112.3 | F329 R330 L334 L335 I336 L408 V409 M412 | F329-T332 PolarHBondContact O-OG1 3.05Å; R330-T332 VanDerWaalsContact C-N 3.27Å; R330-T332 PolarHBondContact O-N 3.2Å; T332-L334 PolarHBondContact O-N 2.76Å; T332-L335 PolarHBondContact O-N 3.29Å; T332-I336 WeakPolarHBondContact O-CB 3.36Å; T332-I336 WeakPolarHBondContact O-CD1 3.45Å; T332-I336 VanDerWaalsContact O-CG1 3.22Å; T332-I336 WeakPolarHBondContact O-CG1 3.42Å; T332-I336 PolarHBondContact O-N 2.91Å; T332-L408 HydrophobicContact CG2-CD2 4.09Å; T332-L408 HydrophobicContact CG2-CG 4.23Å; T332-L408 WeakPolarHBondContact OG1-CD2 3.46Å; T332-V409 HydrophobicContact CG2-CG2 3.54Å; T332-M412 HydrophobicContact CG2-SD 3.93Å |
| 333 | F | 96.1 | Very high | 93.1 | Very high | 62 Ų | 62 | 25.8 Ų | 25.8 | 27% | 0.272 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -54.3 | -54.5 | 174.8 | 171.6 | -107.9 | 0 | 0 | 0 | 111.8 | F329 R330 L335 I336 F337 W384 | F329-F333 VanDerWaalsContact O-CB 3.24Å; F329-F333 WeakPolarHBondContact O-CB 3.21Å; F329-F333 PolarHBondContact O-N 3.33Å; R330-F333 PolarHBondContact O-N 3.02Å; F333-L335 VanDerWaalsContact C-N 3.31Å; F333-L335 PolarHBondContact O-N 3.4Å; F333-I336 PolarHBondContact O-N 3.39Å; F333-F337 WeakPolarHBondContact O-CB 3.23Å; F333-F337 PolarHBondContact O-N 3.39Å; F333-W384 HydrophobicContact CB-CZ2 3.77Å; F333-W384 AromaticContact CD2-CH2 3.99Å; F333-W384 HydrophobicContact CD2-CH2 3.99Å; F333-W384 AromaticContact CD2-CZ2 3.77Å; F333-W384 HydrophobicContact CD2-CZ2 3.77Å; F333-W384 HydrophobicContact CG-CZ2 4.04Å |
| 334 | L | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.6 | -33 | -176.3 | -66.7 | 173.5 | 0 | 0 | 0 | 112.3 | R330 T332 F338 F462 L681 T682 | R330-L334 HydrophobicContact CG-CD1 3.6Å; R330-L334 HydrophobicContact CG-CG 4.23Å; R330-L334 WeakPolarHBondContact O-CG 3.21Å; R330-L334 PolarHBondContact O-N 2.99Å; T332-L334 PolarHBondContact O-N 2.76Å; L334-F338 VanDerWaalsContact O-CB 3.26Å; L334-F338 WeakPolarHBondContact O-CB 3.25Å; L334-F338 PolarHBondContact O-N 2.94Å; L334-F462 HydrophobicContact CB-CE1 4.4Å; L334-F462 HydrophobicContact CB-CE2 3.66Å; L334-F462 HydrophobicContact CB-CZ 3.41Å; L334-F462 VanDerWaalsContact CB-CZ 3.41Å; L334-F462 HydrophobicContact CD1-CD1 4.45Å; L334-F462 HydrophobicContact CD1-CD2 3.98Å; L334-F462 HydrophobicContact CD1-CE1 4.01Å; L334-F462 HydrophobicContact CD1-CE2 3.54Å; L334-F462 HydrophobicContact CD1-CG 4.44Å; L334-F462 HydrophobicContact CD1-CZ 3.57Å; L334-F462 HydrophobicContact CG-CE2 4.24Å; L334-F462 HydrophobicContact CG-CZ 4.13Å; L334-L681 HydrophobicContact CD1-CB 3.61Å; L334-L681 HydrophobicContact CD1-CD1 4.32Å; L334-T682 WeakPolarHBondContact CD2-OG1 3.41Å |
| 335 | L | 95.4 | Very high | 94.3 | Very high | 58 Ų | 58 | 23.4 Ų | 23.4 | 30% | 0.304 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 173.2 | -178.9 | 61.3 | 0 | 0 | 0 | 111.9 | G331 T332 F333 L339 M412 I463 | G331-L335 WeakPolarHBondContact O-CB 3.35Å; G331-L335 PolarHBondContact O-N 3.4Å; T332-L335 PolarHBondContact O-N 3.29Å; F333-L335 VanDerWaalsContact C-N 3.31Å; F333-L335 PolarHBondContact O-N 3.4Å; L335-L339 VanDerWaalsContact O-CG 3.31Å; L335-L339 WeakPolarHBondContact O-CG 3.38Å; L335-L339 PolarHBondContact O-N 3.44Å; L335-M412 HydrophobicContact CD2-CE 4.08Å; L335-I463 HydrophobicContact CD1-CD1 4.19Å |
| 336 | I | 97 | Very high | 94.5 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.7 | -43.1 | 176.2 | -68.1 | 165.4 | 0 | 0 | 0 | 110.7 | T332 F333 L339 C340 F380 A381 W384 M412 | T332-I336 WeakPolarHBondContact O-CB 3.36Å; T332-I336 WeakPolarHBondContact O-CD1 3.45Å; T332-I336 VanDerWaalsContact O-CG1 3.22Å; T332-I336 WeakPolarHBondContact O-CG1 3.42Å; T332-I336 PolarHBondContact O-N 2.91Å; F333-I336 PolarHBondContact O-N 3.39Å; I336-L339 PolarHBondContact O-N 3.38Å; I336-C340 PolarHBondContact O-N 2.8Å; I336-F380 HydrophobicContact CD1-CB 3.87Å; I336-F380 HydrophobicContact CG1-CB 3.79Å; I336-F380 HydrophobicContact CG2-CB 4.44Å; I336-A381 HydrophobicContact CG2-CB 3.78Å; I336-W384 HydrophobicContact CD1-CB 3.71Å; I336-W384 HydrophobicContact CD1-CG 4.08Å; I336-M412 HydrophobicContact CD1-CE 4.19Å; I336-M412 HydrophobicContact CD1-SD 4.24Å; I336-M412 HydrophobicContact CG1-CE 3.82Å |
| 337 | F | 97.4 | Very high | 94.6 | Very high | 56 Ų | 56 | 23.3 Ų | 23.3 | 25% | 0.246 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 175.8 | -177.2 | -120.4 | 0 | 0 | 0 | 111.6 | F333 L339 C340 L341 T682 V685 I686 | F333-F337 WeakPolarHBondContact O-CB 3.23Å; F333-F337 PolarHBondContact O-N 3.39Å; F337-L339 PolarHBondContact O-N 3.33Å; F337-C340 WeakPolarHBondContact O-CB 3.46Å; F337-C340 PolarHBondContact O-N 2.92Å; F337-L341 HydrophobicContact CD1-CD1 3.96Å; F337-L341 HydrophobicContact CD2-CD1 4.46Å; F337-L341 HydrophobicContact CE1-CD1 3.56Å; F337-L341 HydrophobicContact CE2-CD1 4.1Å; F337-L341 HydrophobicContact CE2-CG 4.32Å; F337-L341 HydrophobicContact CG-CD1 4.39Å; F337-L341 HydrophobicContact CZ-CD1 3.65Å; F337-L341 HydrophobicContact CZ-CG 4.33Å; F337-L341 WeakPolarHBondContact O-CG 3.37Å; F337-L341 PolarHBondContact O-N 3.21Å; F337-T682 HydrophobicContact CD1-CG2 4.32Å; F337-T682 HydrophobicContact CE1-CG2 3.75Å; F337-T682 HydrophobicContact CZ-CG2 4.31Å; F337-V685 HydrophobicContact CD1-CB 4.4Å; F337-V685 HydrophobicContact CD1-CG1 3.75Å; F337-V685 HydrophobicContact CE1-CG1 4.09Å; F337-I686 HydrophobicContact CE1-CD1 4.42Å; F337-I686 HydrophobicContact CE1-CG1 3.96Å; F337-I686 HydrophobicContact CZ-CD1 4.33Å; F337-I686 HydrophobicContact CZ-CG1 4.08Å |
| 338 | F | 96.9 | Very high | 94.5 | Very high | 20 Ų | 20 | 22.6 Ų | 22.6 | 9% | 0.088 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 172.2 | 172.6 | -95.3 | 0 | 0 | 0 | 112.5 | L334 C340 L341 F342 Q456 L460 V685 | L334-F338 VanDerWaalsContact O-CB 3.26Å; L334-F338 WeakPolarHBondContact O-CB 3.25Å; L334-F338 PolarHBondContact O-N 2.94Å; F338-C340 VanDerWaalsContact C-N 3.33Å; F338-C340 PolarHBondContact O-N 2.76Å; F338-L341 PolarHBondContact O-N 2.96Å; F338-F342 WeakPolarHBondContact O-CB 3.28Å; F338-F342 PolarHBondContact O-N 3.41Å; F338-Q456 HydrophobicContact CE2-CB 4.13Å; F338-Q456 HydrophobicContact CE2-CG 4.33Å; F338-Q456 HydrophobicContact CZ-CB 3.85Å; F338-Q456 HydrophobicContact CZ-CG 3.91Å; F338-L460 HydrophobicContact CB-CD2 4.17Å; F338-L460 HydrophobicContact CD1-CD1 3.93Å; F338-L460 HydrophobicContact CD2-CD1 4.15Å; F338-L460 HydrophobicContact CD2-CD2 4.25Å; F338-L460 HydrophobicContact CD2-CG 4.48Å; F338-L460 HydrophobicContact CE1-CD1 4.07Å; F338-L460 HydrophobicContact CE2-CD1 4.28Å; F338-L460 HydrophobicContact CG-CD1 3.98Å; F338-L460 HydrophobicContact CG-CD2 4.16Å; F338-L460 HydrophobicContact CZ-CD1 4.25Å; F338-V685 HydrophobicContact CB-CG1 4.04Å; F338-V685 HydrophobicContact CD2-CG1 4.38Å |
| 339 | L | 95.9 | Very high | 94.3 | Very high | 44 Ų | 44 | 22.2 Ų | 22.2 | 23% | 0.23 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.6 | -72 | 170.8 | 0 | 0 | 0 | 111.9 | L335 I336 F337 F342 G343 S377 | L335-L339 VanDerWaalsContact O-CG 3.31Å; L335-L339 WeakPolarHBondContact O-CG 3.38Å; L335-L339 PolarHBondContact O-N 3.44Å; I336-L339 PolarHBondContact O-N 3.38Å; F337-L339 PolarHBondContact O-N 3.33Å; L339-F342 PolarHBondContact O-N 3.18Å; L339-G343 PolarHBondContact O-N 2.94Å; L339-S377 WeakPolarHBondContact CB-OG 3.4Å; L339-S377 PolarHBondContact O-OG 3.14Å |
| 340 | C | 96.9 | Very high | 93.7 | Very high | 23 Ų | 23 | 26 Ų | 26 | 16% | 0.155 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | I336 F337 F338 F342 G343 V344 S377 F378 | I336-C340 PolarHBondContact O-N 2.8Å; F337-C340 WeakPolarHBondContact O-CB 3.46Å; F337-C340 PolarHBondContact O-N 2.92Å; F338-C340 VanDerWaalsContact C-N 3.33Å; F338-C340 PolarHBondContact O-N 2.76Å; C340-F342 VanDerWaalsContact C-N 3.3Å; C340-F342 PolarHBondContact O-N 2.96Å; C340-G343 WeakPolarHBondContact O-CA 3.19Å; C340-G343 PolarHBondContact O-N 3.37Å; C340-G343 VanDerWaalsContact O-N 3.07Å; C340-V344 PolarHBondContact O-N 3.38Å; C340-S377 WeakPolarHBondContact CA-OG 3.48Å; C340-S377 PolarHBondContact N-OG 3.49Å; C340-F378 VanDerWaalsContact SG-CE2 3.5Å; C340-F378 VanDerWaalsContact SG-CZ 3.57Å |
| 341 | L | 97.2 | Very high | 93 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 12% | 0.12 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -31 | 176.9 | -71.9 | 176.8 | 0 | 0 | 0 | 112.7 | F337 F338 V344 N345 V685 F689 | F337-L341 HydrophobicContact CD1-CD1 3.96Å; F337-L341 HydrophobicContact CD2-CD1 4.46Å; F337-L341 HydrophobicContact CE1-CD1 3.56Å; F337-L341 HydrophobicContact CE2-CD1 4.1Å; F337-L341 HydrophobicContact CE2-CG 4.32Å; F337-L341 HydrophobicContact CG-CD1 4.39Å; F337-L341 HydrophobicContact CZ-CD1 3.65Å; F337-L341 HydrophobicContact CZ-CG 4.33Å; F337-L341 WeakPolarHBondContact O-CG 3.37Å; F337-L341 PolarHBondContact O-N 3.21Å; F338-L341 PolarHBondContact O-N 2.96Å; L341-V344 PolarHBondContact O-N 3.37Å; L341-N345 PolarHBondContact O-N 3.02Å; L341-V685 HydrophobicContact CD1-CG1 3.99Å; L341-F689 HydrophobicContact CB-CB 4.11Å; L341-F689 HydrophobicContact CB-CD2 3.63Å; L341-F689 HydrophobicContact CB-CE2 4.33Å; L341-F689 HydrophobicContact CB-CG 4.03Å; L341-F689 HydrophobicContact CD1-CB 3.94Å; L341-F689 HydrophobicContact CD1-CG 4.15Å; L341-F689 HydrophobicContact CD2-CD1 4.12Å; L341-F689 HydrophobicContact CD2-CD2 3.82Å; L341-F689 HydrophobicContact CD2-CE1 4.22Å; L341-F689 HydrophobicContact CD2-CE2 3.95Å; L341-F689 HydrophobicContact CD2-CG 3.92Å; L341-F689 HydrophobicContact CD2-CZ 4.14Å; L341-F689 HydrophobicContact CG-CB 4.45Å; L341-F689 HydrophobicContact CG-CD2 4.2Å; L341-F689 HydrophobicContact CG-CG 4.25Å; L341-F689 WeakPolarHBondContact O-CD2 3.21Å |
| 342 | F | 95.5 | Very high | 92.2 | Very high | 39 Ų | 39 | 28.3 Ų | 28.3 | 17% | 0.171 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.4 | -35.7 | 169.9 | -176.7 | -111.3 | 0 | 0 | 0 | 112.3 | F338 L339 C340 V344 N345 T346 W349 L373 W452 | F338-F342 WeakPolarHBondContact O-CB 3.28Å; F338-F342 PolarHBondContact O-N 3.41Å; L339-F342 PolarHBondContact O-N 3.18Å; C340-F342 VanDerWaalsContact C-N 3.3Å; C340-F342 PolarHBondContact O-N 2.96Å; F342-V344 VanDerWaalsContact C-N 3.34Å; F342-N345 PolarHBondContact O-N 3.17Å; F342-T346 HydrophobicContact CE1-CG2 4.19Å; F342-T346 HydrophobicContact CE2-CG2 4.24Å; F342-T346 HydrophobicContact CZ-CG2 3.99Å; F342-T346 WeakPolarHBondContact O-CG2 3.45Å; F342-T346 PolarHBondContact O-N 2.88Å; F342-T346 PolarHBondContact O-OG1 3.34Å; F342-T346 VanDerWaalsContact O-OG1 3.07Å; F342-W349 HydrophobicContact CD2-CH2 4.33Å; F342-W349 AromaticContact CE2-CH2 3.88Å; F342-W349 HydrophobicContact CE2-CH2 3.88Å; F342-W349 AromaticContact CE2-CZ3 3.91Å; F342-W349 HydrophobicContact CE2-CZ3 3.91Å; F342-L373 HydrophobicContact CD1-CD1 4.06Å; F342-L373 HydrophobicContact CD1-CD2 4.14Å; F342-L373 HydrophobicContact CE1-CD1 3.89Å; F342-L373 HydrophobicContact CE1-CD2 4.15Å; F342-W452 AromaticContact CD2-CH2 3.74Å; F342-W452 HydrophobicContact CD2-CH2 3.74Å; F342-W452 HydrophobicContact CD2-CZ2 4.05Å; F342-W452 AromaticContact CE2-CH2 3.31Å; F342-W452 HydrophobicContact CE2-CH2 3.31Å; F342-W452 AromaticContact CE2-CZ2 3.72Å; F342-W452 HydrophobicContact CE2-CZ2 3.72Å; F342-W452 HydrophobicContact CE2-CZ3 4.23Å; F342-W452 HydrophobicContact CZ-CH2 4.07Å |
| 343 | G | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L339 C340 T346 Y347 | L339-G343 PolarHBondContact O-N 2.94Å; C340-G343 WeakPolarHBondContact O-CA 3.19Å; C340-G343 PolarHBondContact O-N 3.37Å; C340-G343 VanDerWaalsContact O-N 3.07Å; G343-T346 PolarHBondContact O-OG1 3.09Å; G343-Y347 PolarHBondContact O-N 3.45Å; G343-Y347 VanDerWaalsContact O-N 3.09Å |
| 344 | V | 95.6 | Very high | 90.1 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 16% | 0.158 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.4 | -40.6 | 174.8 | 177.8 | 0 | 0 | 0 | 0 | 112 | C340 L341 F342 Y347 G348 L374 F689 F832 | C340-V344 PolarHBondContact O-N 3.38Å; L341-V344 PolarHBondContact O-N 3.37Å; F342-V344 VanDerWaalsContact C-N 3.34Å; V344-Y347 PolarHBondContact O-N 2.89Å; V344-G348 PolarHBondContact O-N 2.88Å; V344-L374 HydrophobicContact CG2-CD2 4.31Å; V344-F689 HydrophobicContact CB-CE2 3.97Å; V344-F689 HydrophobicContact CG1-CE2 3.78Å; V344-F689 HydrophobicContact CG1-CZ 3.92Å; V344-F832 HydrophobicContact CG1-CE1 3.75Å; V344-F832 HydrophobicContact CG1-CZ 4.25Å |
| 345 | N | 95.3 | Very high | 89 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 173.5 | -98.6 | -51 | 0 | 0 | 0 | 111.6 | L341 F342 Y347 G348 W349 F689 N692 F693 | L341-N345 PolarHBondContact O-N 3.02Å; F342-N345 PolarHBondContact O-N 3.17Å; N345-Y347 VanDerWaalsContact C-N 3.32Å; N345-Y347 PolarHBondContact O-N 2.92Å; N345-G348 PolarHBondContact O-N 3.42Å; N345-G348 VanDerWaalsContact O-N 3.11Å; N345-W349 HydrophobicContact CB-CD2 4.43Å; N345-W349 HydrophobicContact CB-CE3 4.47Å; N345-W349 HydrophobicContact CB-CH2 3.9Å; N345-W349 HydrophobicContact CB-CZ2 3.85Å; N345-W349 HydrophobicContact CB-CZ3 4.21Å; N345-W349 VanDerWaalsContact O-CD2 3.28Å; N345-W349 VanDerWaalsContact O-CG 3.26Å; N345-W349 PolarHBondContact O-N 2.91Å; N345-F689 WeakPolarHBondContact ND2-CD2 3.17Å; N345-F689 PolarHBondContact ND2-O 3.32Å; N345-F689 VanDerWaalsContact ND2-O 3.16Å; N345-F689 PolarHBondContact OD1-O 3.42Å; N345-N692 WeakPolarHBondContact ND2-CB 3.32Å; N345-F693 WeakPolarHBondContact OD1-CD1 3.45Å; N345-F693 WeakPolarHBondContact OD1-CE1 3.09Å; N345-F693 WeakPolarHBondContact OD1-CE2 3.32Å; N345-F693 WeakPolarHBondContact OD1-CZ 3.23Å |
| 346 | T | 91.8 | Very high | 88.5 | Confident | 8 Ų | 8 | 24.7 Ų | 24.7 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.3 | -32.4 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | F342 G343 W349 R350 L373 | F342-T346 HydrophobicContact CE1-CG2 4.19Å; F342-T346 HydrophobicContact CE2-CG2 4.24Å; F342-T346 HydrophobicContact CZ-CG2 3.99Å; F342-T346 WeakPolarHBondContact O-CG2 3.45Å; F342-T346 PolarHBondContact O-N 2.88Å; F342-T346 PolarHBondContact O-OG1 3.34Å; F342-T346 VanDerWaalsContact O-OG1 3.07Å; G343-T346 PolarHBondContact O-OG1 3.09Å; T346-W349 HydrophobicContact CG2-CE3 3.83Å; T346-W349 HydrophobicContact CG2-CZ3 3.62Å; T346-R350 WeakPolarHBondContact O-CB 3.01Å; T346-R350 PolarHBondContact O-N 3.02Å; T346-L373 HydrophobicContact CG2-CD1 3.77Å; T346-L373 WeakPolarHBondContact OG1-CD1 3.47Å |
| 347 | Y | 90 | Very high | 87.7 | Confident | 40 Ų | 40 | 24.7 Ų | 24.7 | 16% | 0.157 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.3 | -49.1 | 167.7 | 170.4 | -97.4 | 0 | 0 | 0 | 112.1 | G343 V344 N345 R350 S351 F835 | G343-Y347 PolarHBondContact O-N 3.45Å; G343-Y347 VanDerWaalsContact O-N 3.09Å; V344-Y347 PolarHBondContact O-N 2.89Å; N345-Y347 VanDerWaalsContact C-N 3.32Å; N345-Y347 PolarHBondContact O-N 2.92Å; Y347-R350 PolarHBondContact O-N 2.82Å; Y347-S351 WeakPolarHBondContact O-CB 3.44Å; Y347-S351 PolarHBondContact O-N 2.95Å; Y347-F835 HydrophobicContact CD1-CD2 4.22Å; Y347-F835 HydrophobicContact CD2-CD2 4.42Å; Y347-F835 HydrophobicContact CE1-CB 3.83Å; Y347-F835 AromaticContact CE1-CD2 3.98Å; Y347-F835 HydrophobicContact CE1-CD2 3.98Å; Y347-F835 HydrophobicContact CE1-CG 4.25Å; Y347-F835 HydrophobicContact CE2-CD2 4.17Å; Y347-F835 HydrophobicContact CG-CD2 4.44Å; Y347-F835 AromaticContact CZ-CD2 3.95Å |
| 348 | G | 87.4 | Confident | 86.5 | Confident | 8 Ų | 8 | 24.3 Ų | 24.3 | 8% | 0.082 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.9 | -48.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V344 N345 R350 S351 S352 | V344-G348 PolarHBondContact O-N 2.88Å; N345-G348 PolarHBondContact O-N 3.42Å; N345-G348 VanDerWaalsContact O-N 3.11Å; G348-R350 PolarHBondContact O-N 3.43Å; G348-S351 WeakPolarHBondContact CA-OG 3.42Å; G348-S351 PolarHBondContact O-N 3.34Å; G348-S351 VanDerWaalsContact O-N 3.09Å; G348-S351 PolarHBondContact O-OG 3.19Å; G348-S352 PolarHBondContact O-N 3.15Å; G348-S352 PolarHBondContact O-OG 3Å |
| 349 | W | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -52.4 | -52 | 173.8 | -64 | -35.4 | 0 | 0 | 0 | 111.5 | F342 N345 T346 S351 S352 G353 V354 N356 F360 W452 N692 F693 L696 | F342-W349 HydrophobicContact CD2-CH2 4.33Å; F342-W349 AromaticContact CE2-CH2 3.88Å; F342-W349 HydrophobicContact CE2-CH2 3.88Å; F342-W349 AromaticContact CE2-CZ3 3.91Å; F342-W349 HydrophobicContact CE2-CZ3 3.91Å; N345-W349 HydrophobicContact CB-CD2 4.43Å; N345-W349 HydrophobicContact CB-CE3 4.47Å; N345-W349 HydrophobicContact CB-CH2 3.9Å; N345-W349 HydrophobicContact CB-CZ2 3.85Å; N345-W349 HydrophobicContact CB-CZ3 4.21Å; N345-W349 VanDerWaalsContact O-CD2 3.28Å; N345-W349 VanDerWaalsContact O-CG 3.26Å; N345-W349 PolarHBondContact O-N 2.91Å; T346-W349 HydrophobicContact CG2-CE3 3.83Å; T346-W349 HydrophobicContact CG2-CZ3 3.62Å; W349-S351 VanDerWaalsContact C-N 3.29Å; W349-S351 PolarHBondContact O-N 2.86Å; W349-S352 PolarHBondContact O-N 2.99Å; W349-G353 PolarHBondContact O-N 3.48Å; W349-V354 HydrophobicContact CB-CB 3.99Å; W349-V354 HydrophobicContact CB-CG1 4.2Å; W349-V354 HydrophobicContact CG-CB 4.47Å; W349-V354 HydrophobicContact CG-CG1 4.26Å; W349-V354 PolarHBondContact O-N 3.22Å; W349-N356 HydrophobicContact CB-CB 4.43Å; W349-N356 HydrophobicContact CD2-CB 4.23Å; W349-N356 HydrophobicContact CE3-CB 3.59Å; W349-N356 HydrophobicContact CZ3-CB 4.25Å; W349-F360 HydrophobicContact CH2-CE2 4.18Å; W349-F360 HydrophobicContact CH2-CZ 4.4Å; W349-F360 AromaticContact CZ3-CE2 3.95Å; W349-F360 HydrophobicContact CZ3-CE2 3.95Å; W349-W452 HydrophobicContact CH2-CZ2 4.47Å; W349-N692 HydrophobicContact CZ2-CB 4.04Å; W349-N692 WeakPolarHBondContact CZ2-O 3.48Å; W349-N692 PolarHBondContact NE1-O 3.31Å; W349-N692 VanDerWaalsContact NE1-O 3.17Å; W349-F693 AromaticContact CD1-CD1 3.84Å; W349-F693 AromaticContact NE1-CD1 3.82Å; W349-L696 HydrophobicContact CD2-CD2 3.94Å; W349-L696 HydrophobicContact CE3-CD2 4.01Å; W349-L696 HydrophobicContact CH2-CD1 4.5Å; W349-L696 HydrophobicContact CH2-CD2 3.86Å; W349-L696 HydrophobicContact CZ2-CB 4.19Å; W349-L696 HydrophobicContact CZ2-CD1 4.11Å; W349-L696 HydrophobicContact CZ2-CD2 3.73Å; W349-L696 HydrophobicContact CZ2-CG 4.21Å; W349-L696 HydrophobicContact CZ3-CD2 3.99Å |
| 350 | R | 80.8 | Confident | 85 | Confident | 87 Ų | 87 | 22.4 Ų | 22.4 | 33% | 0.328 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63.1 | -33.3 | 179 | -162.9 | 178.9 | -167.3 | 168.4 | 9 | 112.6 | E284 T346 Y347 G348 D369 H370 | E284-R350 IonicContact OE2-CZ 2.72Å; E284-R350 VanDerWaalsContact OE2-CZ 3.22Å; E284-R350 IonicContact OE2-NH1 2.97Å; E284-R350 PolarHBondContact OE2-NH1 3.04Å; E284-R350 IonicContact OE2-NH2 3.52Å; E284-R350 PolarHBondContact OE2-NH2 3.47Å; T346-R350 WeakPolarHBondContact O-CB 3.01Å; T346-R350 PolarHBondContact O-N 3.02Å; Y347-R350 PolarHBondContact O-N 2.82Å; G348-R350 PolarHBondContact O-N 3.43Å; R350-D369 IonicContact NH1-OD1 3.05Å; R350-D369 PolarHBondContact NH1-OD1 3.31Å; R350-H370 WeakPolarHBondContact CD-NE2 3.13Å |
| 351 | S | 78 | Confident | 83.9 | Confident | 57 Ų | 57 | 28.3 Ų | 28.3 | 40% | 0.399 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -73.3 | -26.1 | 177.4 | 79.2 | 0 | 0 | 0 | 0 | 114 | Y347 G348 W349 | Y347-S351 WeakPolarHBondContact O-CB 3.44Å; Y347-S351 PolarHBondContact O-N 2.95Å; G348-S351 WeakPolarHBondContact CA-OG 3.42Å; G348-S351 PolarHBondContact O-N 3.34Å; G348-S351 VanDerWaalsContact O-N 3.09Å; G348-S351 PolarHBondContact O-OG 3.19Å; W349-S351 VanDerWaalsContact C-N 3.29Å; W349-S351 PolarHBondContact O-N 2.86Å |
| 352 | S | 76.2 | Confident | 82.8 | Confident | 20 Ų | 20 | 29.4 Ų | 29.4 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -90.8 | -17.1 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | R16 G348 W349 Y639 | R16-S352 PolarHBondContact NH2-O 3.02Å; G348-S352 PolarHBondContact O-N 3.15Å; G348-S352 PolarHBondContact O-OG 3Å; W349-S352 PolarHBondContact O-N 2.99Å; S352-Y639 WeakPolarHBondContact OG-CD1 3.32Å; S352-Y639 WeakPolarHBondContact OG-CE1 3.28Å |
| 353 | G | 69.8 | Low | 81.5 | Confident | 15 Ų | 15 | 30.9 Ų | 30.9 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | 8.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | W349 N355 | W349-G353 PolarHBondContact O-N 3.48Å; G353-N355 PolarHBondContact O-N 3.4Å |
| 354 | V | 76.1 | Confident | 80 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -72.4 | 107.4 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 108.9 | W349 N356 I359 V638 L696 H700 | W349-V354 HydrophobicContact CB-CB 3.99Å; W349-V354 HydrophobicContact CB-CG1 4.2Å; W349-V354 HydrophobicContact CG-CB 4.47Å; W349-V354 HydrophobicContact CG-CG1 4.26Å; W349-V354 PolarHBondContact O-N 3.22Å; V354-N356 VanDerWaalsContact C-N 3.32Å; V354-N356 PolarHBondContact O-N 3.27Å; V354-I359 HydrophobicContact CG1-CD1 4.19Å; V354-V638 HydrophobicContact CG2-CG1 4.1Å; V354-L696 HydrophobicContact CG1-CB 4.27Å; V354-H700 HydrophobicContact CG1-CB 4.11Å | ||
| 355 | N | 75.2 | Confident | 78.4 | Confident | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | trans | -73.8 | 80.7 | -177.4 | -171.8 | -13.2 | 0 | 0 | 0 | 112.3 | G353 V357 L358 I359 R711 | G353-N355 PolarHBondContact O-N 3.4Å; N355-V357 VanDerWaalsContact C-N 3.28Å; N355-V357 PolarHBondContact O-N 3.44Å; N355-V357 PolarHBondContact OD1-N 2.87Å; N355-L358 HydrophobicContact CB-CB 4.4Å; N355-L358 PolarHBondContact O-N 3.17Å; N355-L358 PolarHBondContact OD1-N 2.75Å; N355-I359 WeakPolarHBondContact O-CD1 3.42Å; N355-I359 VanDerWaalsContact O-CG1 3.28Å; N355-I359 WeakPolarHBondContact O-CG1 3.39Å; N355-I359 PolarHBondContact O-N 3.22Å; N355-R711 PolarHBondContact ND2-O 3.26Å | ||
| 356 | N | 83.3 | Confident | 77.2 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -26.9 | 177.2 | 70.6 | -45.4 | 0 | 0 | 0 | 113.5 | W349 V354 F360 L696 | W349-N356 HydrophobicContact CB-CB 4.43Å; W349-N356 HydrophobicContact CD2-CB 4.23Å; W349-N356 HydrophobicContact CE3-CB 3.59Å; W349-N356 HydrophobicContact CZ3-CB 4.25Å; V354-N356 VanDerWaalsContact C-N 3.32Å; V354-N356 PolarHBondContact O-N 3.27Å; N356-F360 HydrophobicContact CB-CD2 4.36Å; N356-F360 HydrophobicContact CB-CE2 4.41Å; N356-F360 WeakPolarHBondContact O-CB 3.03Å; N356-F360 WeakPolarHBondContact O-CD2 3.28Å; N356-F360 PolarHBondContact O-N 3.47Å; N356-F360 VanDerWaalsContact O-N 3.11Å; N356-L696 HydrophobicContact CB-CD2 4.01Å |
| 357 | V | 80.7 | Confident | 76.7 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -48.8 | 178.1 | 177.7 | 0 | 0 | 0 | 0 | 110 | N355 E361 L362 P364 | N355-V357 VanDerWaalsContact C-N 3.28Å; N355-V357 PolarHBondContact O-N 3.44Å; N355-V357 PolarHBondContact OD1-N 2.87Å; V357-E361 PolarHBondContact O-N 3.47Å; V357-L362 HydrophobicContact CG1-CB 3.98Å; V357-L362 WeakPolarHBondContact O-CB 3.29Å; V357-L362 PolarHBondContact O-N 3.28Å; V357-P364 HydrophobicContact CG1-CB 4.04Å |
| 358 | L | 71.8 | Confident | 76.5 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 177.3 | -176 | 58.5 | 0 | 0 | 0 | 112.1 | N355 F360 E361 R711 | N355-L358 HydrophobicContact CB-CB 4.4Å; N355-L358 PolarHBondContact O-N 3.17Å; N355-L358 PolarHBondContact OD1-N 2.75Å; L358-F360 VanDerWaalsContact C-N 3.27Å; L358-F360 PolarHBondContact O-N 3.25Å; L358-E361 PolarHBondContact O-N 2.96Å; L358-R711 HydrophobicContact CD1-CB 3.96Å; L358-R711 HydrophobicContact CD2-CB 3.93Å |
| 359 | I | 77.2 | Confident | 76.3 | Confident | 18 Ų | 18 | 45.2 Ų | 45.2 | 9% | 0.092 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -34.8 | -179.4 | -68.8 | 164.1 | 0 | 0 | 0 | 112.3 | V354 N355 F448 L696 E699 H700 | V354-I359 HydrophobicContact CG1-CD1 4.19Å; N355-I359 WeakPolarHBondContact O-CD1 3.42Å; N355-I359 VanDerWaalsContact O-CG1 3.28Å; N355-I359 WeakPolarHBondContact O-CG1 3.39Å; N355-I359 PolarHBondContact O-N 3.22Å; I359-F448 HydrophobicContact CG2-CD1 3.68Å; I359-F448 HydrophobicContact CG2-CE1 3.41Å; I359-F448 VanDerWaalsContact CG2-CE1 3.41Å; I359-F448 HydrophobicContact CG2-CZ 4.09Å; I359-F448 WeakPolarHBondContact O-CD1 3.23Å; I359-L696 HydrophobicContact CD1-CD2 4.49Å; I359-L696 HydrophobicContact CG2-CD2 4.26Å; I359-L696 HydrophobicContact CG2-CG 4.2Å; I359-E699 HydrophobicContact CG2-CB 4.42Å; I359-E699 HydrophobicContact CG2-CG 3.87Å; I359-H700 HydrophobicContact CD1-CB 3.86Å |
| 360 | F | 83.7 | Confident | 76.4 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9.3 | 177.4 | -70.3 | -54.9 | 0 | 0 | 0 | 114.7 | W349 N356 L358 L362 F448 A449 W452 L696 | W349-F360 HydrophobicContact CH2-CE2 4.18Å; W349-F360 HydrophobicContact CH2-CZ 4.4Å; W349-F360 AromaticContact CZ3-CE2 3.95Å; W349-F360 HydrophobicContact CZ3-CE2 3.95Å; N356-F360 HydrophobicContact CB-CD2 4.36Å; N356-F360 HydrophobicContact CB-CE2 4.41Å; N356-F360 WeakPolarHBondContact O-CB 3.03Å; N356-F360 WeakPolarHBondContact O-CD2 3.28Å; N356-F360 PolarHBondContact O-N 3.47Å; N356-F360 VanDerWaalsContact O-N 3.11Å; L358-F360 VanDerWaalsContact C-N 3.27Å; L358-F360 PolarHBondContact O-N 3.25Å; F360-L362 HydrophobicContact CB-CD1 3.87Å; F360-L362 HydrophobicContact CB-CG 3.74Å; F360-L362 PolarHBondContact O-N 3.45Å; F360-F448 AromaticContact CD1-CD1 3.99Å; F360-F448 HydrophobicContact CD1-CD1 3.99Å; F360-F448 HydrophobicContact CD1-CE1 4.06Å; F360-F448 HydrophobicContact CE1-CD1 4.04Å; F360-F448 AromaticContact CE1-CE1 3.67Å; F360-F448 HydrophobicContact CE1-CE1 3.67Å; F360-F448 HydrophobicContact CZ-CE1 4.42Å; F360-A449 HydrophobicContact CD1-CB 4.3Å; F360-W452 HydrophobicContact CE1-CB 4.04Å; F360-W452 AromaticContact CE1-CD2 3.48Å; F360-W452 HydrophobicContact CE1-CD2 3.48Å; F360-W452 VanDerWaalsContact CE1-CD2 3.48Å; F360-W452 AromaticContact CE1-CE3 3.63Å; F360-W452 HydrophobicContact CE1-CE3 3.63Å; F360-W452 AromaticContact CE1-CG 3.65Å; F360-W452 HydrophobicContact CE1-CG 3.65Å; F360-W452 HydrophobicContact CE1-CZ3 4.4Å; F360-W452 AromaticContact CZ-CD2 3.6Å; F360-W452 HydrophobicContact CZ-CD2 3.6Å; F360-W452 AromaticContact CZ-CE2 3.73Å; F360-W452 AromaticContact CZ-CE3 3.89Å; F360-W452 HydrophobicContact CZ-CE3 3.89Å; F360-W452 HydrophobicContact CZ-CG 4.01Å; F360-W452 HydrophobicContact CZ-CH2 4.49Å; F360-W452 HydrophobicContact CZ-CZ2 4.2Å; F360-W452 HydrophobicContact CZ-CZ3 4.33Å; F360-L696 HydrophobicContact CD2-CD2 4.43Å; F360-L696 HydrophobicContact CE2-CD2 3.59Å; F360-L696 HydrophobicContact CZ-CD1 3.97Å; F360-L696 HydrophobicContact CZ-CD2 3.76Å; F360-L696 HydrophobicContact CZ-CG 4.45Å |
| 361 | E | 75 | Confident | 76.8 | Confident | 146 Ų | 146 | 42.3 Ų | 42.3 | 68% | 0.682 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 36.7 | -176.1 | -58.5 | 175.8 | 173.8 | 0 | 0 | 112.3 | V357 L358 | V357-E361 PolarHBondContact O-N 3.47Å; L358-E361 PolarHBondContact O-N 2.96Å |
| 362 | L | 74.1 | Confident | 77.5 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | trans | -86.2 | 147.6 | -178.2 | -63.1 | 174.6 | 0 | 0 | 0 | 111.6 | V357 F360 P364 H367 W430 | V357-L362 HydrophobicContact CG1-CB 3.98Å; V357-L362 WeakPolarHBondContact O-CB 3.29Å; V357-L362 PolarHBondContact O-N 3.28Å; F360-L362 HydrophobicContact CB-CD1 3.87Å; F360-L362 HydrophobicContact CB-CG 3.74Å; F360-L362 PolarHBondContact O-N 3.45Å; L362-P364 VanDerWaalsContact O-CD 3.3Å; L362-P364 WeakPolarHBondContact O-CD 3.31Å; L362-H367 HydrophobicContact CB-CB 4.48Å; L362-W430 HydrophobicContact CD2-CD2 4.37Å; L362-W430 HydrophobicContact CD2-CZ2 3.96Å | ||
| 363 | D | 67.4 | Low | 78.3 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | trans | -72.6 | 114 | 170.5 | 166.2 | 25.1 | 0 | 0 | 0 | 109.5 | R365 T366 H367 | D363-R365 PolarHBondContact O-N 3.07Å; D363-R365 VanDerWaalsContact O-N 3.1Å; D363-R365 WeakPolarHBondContact OD1-CB 3.45Å; D363-R365 PolarHBondContact OD1-N 3.26Å; D363-T366 CarbonylContact O-C 3.5Å; D363-T366 PolarHBondContact O-N 3.22Å; D363-T366 VanDerWaalsContact OD2-CB 3.32Å; D363-T366 WeakPolarHBondContact OD2-CB 3.42Å; D363-T366 VanDerWaalsContact OD2-CG2 3.26Å; D363-T366 WeakPolarHBondContact OD2-CG2 3.33Å; D363-T366 PolarHBondContact OD2-N 2.72Å; D363-T366 PolarHBondContact OD2-OG1 2.78Å; D363-H367 PolarHBondContact O-N 2.96Å; D363-H367 VanDerWaalsContact O-N 3.14Å | ||
| 364 | P | 63.9 | Low | 79.5 | Confident | 35 Ų | 35 | 41 Ų | 41 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.9 | -178.2 | 23.6 | -34.3 | 0 | 0 | 0 | 112.1 | V357 L362 T366 H367 | V357-P364 HydrophobicContact CG1-CB 4.04Å; L362-P364 VanDerWaalsContact O-CD 3.3Å; L362-P364 WeakPolarHBondContact O-CD 3.31Å; P364-T366 VanDerWaalsContact C-N 3.32Å; P364-T366 PolarHBondContact O-N 3.11Å; P364-H367 PolarHBondContact O-CE1 3.07Å; P364-H367 PolarHBondContact O-ND1 2.87Å |
| 365 | R | 61.6 | Low | 80.4 | Confident | 184 Ų | 184 | 42.4 Ų | 42.4 | 69% | 0.694 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -20.1 | 178.3 | -58.2 | -176.7 | 177.3 | 107 | -1.9 | 113.3 | D363 | D363-R365 PolarHBondContact O-N 3.07Å; D363-R365 VanDerWaalsContact O-N 3.1Å; D363-R365 WeakPolarHBondContact OD1-CB 3.45Å; D363-R365 PolarHBondContact OD1-N 3.26Å |
| 366 | T | 70.6 | Confident | 81.3 | Confident | 61 Ų | 61 | 42.6 Ų | 42.6 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -141 | 28.8 | -168.9 | 78.2 | 0 | 0 | 0 | 0 | 115.3 | D363 P364 K426 | D363-T366 CarbonylContact O-C 3.5Å; D363-T366 PolarHBondContact O-N 3.22Å; D363-T366 VanDerWaalsContact OD2-CB 3.32Å; D363-T366 WeakPolarHBondContact OD2-CB 3.42Å; D363-T366 VanDerWaalsContact OD2-CG2 3.26Å; D363-T366 WeakPolarHBondContact OD2-CG2 3.33Å; D363-T366 PolarHBondContact OD2-N 2.72Å; D363-T366 PolarHBondContact OD2-OG1 2.78Å; P364-T366 VanDerWaalsContact C-N 3.32Å; P364-T366 PolarHBondContact O-N 3.11Å; T366-K426 VanDerWaalsContact CB-NZ 3.32Å; T366-K426 PolarHBondContact OG1-NZ 3.37Å; T366-K426 VanDerWaalsContact OG1-NZ 3.09Å |
| 367 | H | 80.5 | Confident | 81.9 | Confident | 46 Ų | 46 | 41.8 Ų | 41.8 | 21% | 0.213 | 20% | 0.203 | C | C | . | . | trans | -79.3 | 178.2 | 169.6 | 77 | -76.1 | 0 | 0 | 0 | 113.2 | L362 D363 P364 | L362-H367 HydrophobicContact CB-CB 4.48Å; D363-H367 PolarHBondContact O-N 2.96Å; D363-H367 VanDerWaalsContact O-N 3.14Å; P364-H367 PolarHBondContact O-CE1 3.07Å; P364-H367 PolarHBondContact O-ND1 2.87Å | ||
| 368 | L | 86.4 | Confident | 82.7 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | trans | -97.8 | 127.4 | 170.1 | -75.3 | 176.3 | 0 | 0 | 0 | 110 | Q372 L373 I376 H424 A427 | L368-Q372 HydrophobicContact CD2-CB 4.13Å; L368-L373 HydrophobicContact CB-CD2 4.34Å; L368-L373 HydrophobicContact CB-CG 4.12Å; L368-L373 HydrophobicContact CD1-CD2 3.66Å; L368-L373 HydrophobicContact CD1-CG 4.3Å; L368-I376 HydrophobicContact CD1-CD1 4.37Å; L368-I376 HydrophobicContact CD2-CD1 4.48Å; L368-H424 HydrophobicContact CD2-CB 3.96Å; L368-H424 WeakPolarHBondContact CD2-ND1 3.44Å; L368-A427 HydrophobicContact CD1-CB 3.61Å; L368-A427 HydrophobicContact CD2-CB 4.43Å; L368-A427 HydrophobicContact CG-CB 3.87Å | ||
| 369 | D | 84 | Confident | 83.9 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | trans | -71.1 | 154.4 | 169.4 | 176.7 | 60.3 | 0 | 0 | 0 | 111.5 | R350 F371 Q372 L373 | R350-D369 IonicContact NH1-OD1 3.05Å; R350-D369 PolarHBondContact NH1-OD1 3.31Å; D369-F371 PolarHBondContact O-N 2.93Å; D369-F371 WeakPolarHBondContact OD2-CB 3.35Å; D369-F371 WeakPolarHBondContact OD2-CD2 3.25Å; D369-F371 PolarHBondContact OD2-N 3.37Å; D369-Q372 HydrophobicContact CB-CG 4.3Å; D369-Q372 WeakPolarHBondContact O-CA 3.38Å; D369-Q372 WeakPolarHBondContact O-CB 3.35Å; D369-Q372 PolarHBondContact O-N 3.41Å; D369-L373 PolarHBondContact O-N 2.93Å | ||
| 370 | H | 88.4 | Confident | 84.8 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.8 | -32.6 | 178.7 | 45.9 | 51.1 | 0 | 0 | 0 | 113.2 | Y286 R350 Q372 L373 L374 | Y286-H370 AromaticContact CE1-CE1 3.67Å; R350-H370 WeakPolarHBondContact CD-NE2 3.13Å; H370-Q372 VanDerWaalsContact C-N 3.34Å; H370-L373 PolarHBondContact O-N 3.24Å; H370-L374 WeakPolarHBondContact O-CG 3.46Å; H370-L374 PolarHBondContact O-N 2.87Å |
| 371 | F | 90.1 | Very high | 85.5 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.1 | -28.1 | 173.9 | -68.9 | -61.9 | 0 | 0 | 0 | 112.7 | Y286 L291 F294 D369 Q375 | Y286-F371 AromaticContact CD1-CD2 3.75Å; Y286-F371 HydrophobicContact CD1-CD2 3.75Å; Y286-F371 AromaticContact CD1-CE2 3.71Å; Y286-F371 HydrophobicContact CD1-CE2 3.71Å; Y286-F371 HydrophobicContact CD2-CE2 4.08Å; Y286-F371 HydrophobicContact CE1-CD2 4.23Å; Y286-F371 AromaticContact CE1-CE2 3.84Å; Y286-F371 HydrophobicContact CE1-CE2 3.84Å; Y286-F371 HydrophobicContact CE2-CE2 4.18Å; Y286-F371 HydrophobicContact CG-CD2 4.01Å; Y286-F371 AromaticContact CG-CE2 3.84Å; Y286-F371 HydrophobicContact CG-CE2 3.84Å; L291-F371 HydrophobicContact CD1-CD1 3.77Å; L291-F371 HydrophobicContact CD1-CE1 3.61Å; L291-F371 HydrophobicContact CD1-CE2 4.43Å; L291-F371 HydrophobicContact CD1-CG 4.26Å; L291-F371 HydrophobicContact CD1-CZ 3.97Å; F294-F371 AromaticContact CD1-CD1 3.82Å; F294-F371 HydrophobicContact CD1-CD1 3.82Å; F294-F371 HydrophobicContact CD1-CE1 4.36Å; F294-F371 HydrophobicContact CE1-CD1 4.06Å; F294-F371 HydrophobicContact CE1-CE1 4.25Å; D369-F371 PolarHBondContact O-N 2.93Å; D369-F371 WeakPolarHBondContact OD2-CB 3.35Å; D369-F371 WeakPolarHBondContact OD2-CD2 3.25Å; D369-F371 PolarHBondContact OD2-N 3.37Å; F371-Q375 WeakPolarHBondContact O-CB 3.29Å; F371-Q375 PolarHBondContact O-N 3.3Å |
| 372 | Q | 91.9 | Very high | 86.6 | Confident | 40 Ų | 40 | 37.1 Ų | 37.1 | 19% | 0.187 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.3 | -37.4 | 174.7 | -61.8 | 178.6 | -0.2 | 0 | 0 | 111.3 | L368 D369 H370 Q375 I376 H424 | L368-Q372 HydrophobicContact CD2-CB 4.13Å; D369-Q372 HydrophobicContact CB-CG 4.3Å; D369-Q372 WeakPolarHBondContact O-CA 3.38Å; D369-Q372 WeakPolarHBondContact O-CB 3.35Å; D369-Q372 PolarHBondContact O-N 3.41Å; H370-Q372 VanDerWaalsContact C-N 3.34Å; Q372-Q375 PolarHBondContact O-N 3.4Å; Q372-I376 WeakPolarHBondContact O-CD1 3.47Å; Q372-I376 VanDerWaalsContact O-CG1 3.25Å; Q372-I376 WeakPolarHBondContact O-CG1 3.47Å; Q372-I376 PolarHBondContact O-N 3.28Å; Q372-H424 PolarHBondContact OE1-CE1 2.88Å |
| 373 | L | 93 | Very high | 87.6 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -51.5 | 171.7 | -73.7 | 167.2 | 0 | 0 | 0 | 110.8 | F342 T346 L368 D369 H370 Q375 I376 S377 | F342-L373 HydrophobicContact CD1-CD1 4.06Å; F342-L373 HydrophobicContact CD1-CD2 4.14Å; F342-L373 HydrophobicContact CE1-CD1 3.89Å; F342-L373 HydrophobicContact CE1-CD2 4.15Å; T346-L373 HydrophobicContact CG2-CD1 3.77Å; T346-L373 WeakPolarHBondContact OG1-CD1 3.47Å; L368-L373 HydrophobicContact CB-CD2 4.34Å; L368-L373 HydrophobicContact CB-CG 4.12Å; L368-L373 HydrophobicContact CD1-CD2 3.66Å; L368-L373 HydrophobicContact CD1-CG 4.3Å; D369-L373 PolarHBondContact O-N 2.93Å; H370-L373 PolarHBondContact O-N 3.24Å; L373-Q375 PolarHBondContact O-N 2.86Å; L373-I376 PolarHBondContact O-N 3Å; L373-S377 PolarHBondContact O-N 3.49Å; L373-S377 PolarHBondContact O-OG 2.82Å |
| 374 | L | 94.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 176.1 | -68 | 170.3 | 0 | 0 | 0 | 112.6 | F294 V344 H370 I376 S377 F378 F835 | F294-L374 HydrophobicContact CD2-CB 3.8Å; F294-L374 HydrophobicContact CE1-CD1 4.18Å; F294-L374 HydrophobicContact CE2-CB 3.84Å; F294-L374 HydrophobicContact CE2-CD1 4.42Å; F294-L374 HydrophobicContact CG-CB 4.19Å; F294-L374 HydrophobicContact CZ-CB 4.23Å; F294-L374 HydrophobicContact CZ-CD1 4Å; V344-L374 HydrophobicContact CG2-CD2 4.31Å; H370-L374 WeakPolarHBondContact O-CG 3.46Å; H370-L374 PolarHBondContact O-N 2.87Å; L374-I376 PolarHBondContact O-N 2.75Å; L374-S377 PolarHBondContact O-N 2.99Å; L374-F378 HydrophobicContact CD2-CE2 4.41Å; L374-F378 WeakPolarHBondContact O-CD2 3.38Å; L374-F378 PolarHBondContact O-N 2.95Å; L374-F835 HydrophobicContact CD1-CE2 4.37Å; L374-F835 HydrophobicContact CD1-CZ 4.41Å |
| 375 | Q | 94.8 | Very high | 90.7 | Very high | 32 Ų | 32 | 33 Ų | 33 | 15% | 0.15 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 174 | -176.2 | -167.5 | -15.2 | 0 | 0 | 111.7 | G290 L293 F294 F297 F371 Q372 L373 F379 | G290-Q375 VanDerWaalsContact CA-OE1 3.25Å; L293-Q375 HydrophobicContact CB-CG 4.05Å; F294-Q375 HydrophobicContact CB-CB 4.09Å; F297-Q375 HydrophobicContact CD2-CG 4.03Å; F297-Q375 HydrophobicContact CE2-CG 3.92Å; F371-Q375 WeakPolarHBondContact O-CB 3.29Å; F371-Q375 PolarHBondContact O-N 3.3Å; Q372-Q375 PolarHBondContact O-N 3.4Å; L373-Q375 PolarHBondContact O-N 2.86Å; Q375-F379 VanDerWaalsContact O-CB 3.23Å; Q375-F379 WeakPolarHBondContact O-CB 3.5Å; Q375-F379 PolarHBondContact O-N 2.92Å |
| 376 | I | 94.2 | Very high | 92.3 | Very high | 24 Ų | 24 | 27.5 Ų | 27.5 | 12% | 0.123 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.8 | -67.2 | 163 | 0 | 0 | 0 | 110.5 | L368 Q372 L373 L374 F379 F380 | L368-I376 HydrophobicContact CD1-CD1 4.37Å; L368-I376 HydrophobicContact CD2-CD1 4.48Å; Q372-I376 WeakPolarHBondContact O-CD1 3.47Å; Q372-I376 VanDerWaalsContact O-CG1 3.25Å; Q372-I376 WeakPolarHBondContact O-CG1 3.47Å; Q372-I376 PolarHBondContact O-N 3.28Å; L373-I376 PolarHBondContact O-N 3Å; L374-I376 PolarHBondContact O-N 2.75Å; I376-F379 PolarHBondContact O-N 2.88Å; I376-F380 HydrophobicContact CG2-CD2 3.92Å; I376-F380 HydrophobicContact CG2-CE2 3.62Å; I376-F380 VanDerWaalsContact O-CD2 3.26Å; I376-F380 WeakPolarHBondContact O-CD2 3.27Å; I376-F380 PolarHBondContact O-N 3.44Å; I376-F380 VanDerWaalsContact O-N 3.12Å |
| 377 | S | 96.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -50.1 | 178.2 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | L339 C340 L373 L374 F380 A381 | L339-S377 WeakPolarHBondContact CB-OG 3.4Å; L339-S377 PolarHBondContact O-OG 3.14Å; C340-S377 WeakPolarHBondContact CA-OG 3.48Å; C340-S377 PolarHBondContact N-OG 3.49Å; L373-S377 PolarHBondContact O-N 3.49Å; L373-S377 PolarHBondContact O-OG 2.82Å; L374-S377 PolarHBondContact O-N 2.99Å; S377-F380 PolarHBondContact O-N 3.07Å; S377-A381 WeakPolarHBondContact O-CB 3.35Å; S377-A381 PolarHBondContact O-N 3.39Å |
| 378 | F | 97.3 | Very high | 94.3 | Very high | 22 Ų | 22 | 24.2 Ų | 24.2 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -74.3 | -25.1 | -179.9 | -76.6 | -72.6 | 0 | 0 | 0 | 113.5 | F294 F297 F298 F301 C340 L374 A381 M382 | F294-F378 AromaticContact CD2-CD2 3.85Å; F294-F378 HydrophobicContact CD2-CD2 3.85Å; F294-F378 AromaticContact CE2-CD2 3.56Å; F294-F378 HydrophobicContact CE2-CD2 3.56Å; F294-F378 AromaticContact CE2-CE2 3.81Å; F294-F378 HydrophobicContact CE2-CE2 3.81Å; F297-F378 HydrophobicContact CB-CB 3.84Å; F298-F378 HydrophobicContact CB-CD1 4.46Å; F298-F378 HydrophobicContact CB-CG 4.33Å; F298-F378 HydrophobicContact CD2-CD1 4.02Å; F298-F378 HydrophobicContact CD2-CD2 4.42Å; F298-F378 AromaticContact CD2-CE1 3.63Å; F298-F378 HydrophobicContact CD2-CE1 3.63Å; F298-F378 HydrophobicContact CD2-CE2 4.05Å; F298-F378 HydrophobicContact CD2-CG 4.42Å; F298-F378 AromaticContact CD2-CZ 3.65Å; F298-F378 HydrophobicContact CD2-CZ 3.65Å; F298-F378 HydrophobicContact CE2-CE1 4.21Å; F298-F378 HydrophobicContact CE2-CZ 4.1Å; F301-F378 HydrophobicContact CB-CD1 4.28Å; F301-F378 AromaticContact CD1-CD1 3.86Å; F301-F378 HydrophobicContact CD1-CD1 3.86Å; F301-F378 AromaticContact CD1-CE1 3.77Å; F301-F378 HydrophobicContact CD1-CE1 3.77Å; F301-F378 HydrophobicContact CE1-CE1 4.25Å; F301-F378 HydrophobicContact CG-CD1 4.29Å; C340-F378 VanDerWaalsContact SG-CE2 3.5Å; C340-F378 VanDerWaalsContact SG-CZ 3.57Å; L374-F378 HydrophobicContact CD2-CE2 4.41Å; L374-F378 WeakPolarHBondContact O-CD2 3.38Å; L374-F378 PolarHBondContact O-N 2.95Å; F378-A381 HydrophobicContact CD1-CB 4.11Å; F378-A381 PolarHBondContact O-N 3.45Å; F378-M382 VanDerWaalsContact O-CB 3.29Å; F378-M382 WeakPolarHBondContact O-CB 3.39Å; F378-M382 PolarHBondContact O-N 2.86Å |
| 379 | F | 96.7 | Very high | 94.7 | Very high | 58 Ų | 58 | 24.1 Ų | 24.1 | 25% | 0.254 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -61 | -45.5 | 166.9 | 176.5 | -107.7 | 0 | 0 | 0 | 111.7 | F297 Q375 I376 M382 I383 F411 | F297-F379 HydrophobicContact CD2-CB 3.79Å; F297-F379 HydrophobicContact CD2-CD2 4.45Å; F297-F379 HydrophobicContact CE1-CD2 4.12Å; F297-F379 HydrophobicContact CE2-CB 3.84Å; F297-F379 AromaticContact CE2-CD2 3.92Å; F297-F379 HydrophobicContact CE2-CD2 3.92Å; F297-F379 HydrophobicContact CE2-CG 4.27Å; F297-F379 HydrophobicContact CG-CB 4.42Å; F297-F379 AromaticContact CZ-CD2 3.74Å; F297-F379 HydrophobicContact CZ-CD2 3.74Å; Q375-F379 VanDerWaalsContact O-CB 3.23Å; Q375-F379 WeakPolarHBondContact O-CB 3.5Å; Q375-F379 PolarHBondContact O-N 2.92Å; I376-F379 PolarHBondContact O-N 2.88Å; F379-M382 HydrophobicContact CD2-CE 3.93Å; F379-M382 HydrophobicContact CE2-CE 4.16Å; F379-I383 HydrophobicContact CD1-CD1 4.21Å; F379-I383 HydrophobicContact CE1-CD1 3.72Å; F379-I383 HydrophobicContact CE2-CD1 4.05Å; F379-I383 HydrophobicContact CZ-CD1 3.63Å; F379-I383 WeakPolarHBondContact O-CG1 3.26Å; F379-I383 PolarHBondContact O-N 2.87Å; F379-F411 AromaticContact CE1-CE1 3.92Å; F379-F411 HydrophobicContact CE1-CE1 3.92Å; F379-F411 AromaticContact CE1-CZ 3.85Å; F379-F411 HydrophobicContact CE1-CZ 3.85Å; F379-F411 HydrophobicContact CZ-CE1 4.43Å; F379-F411 HydrophobicContact CZ-CZ 4.01Å |
| 380 | F | 97.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 4% | 0.044 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.1 | -38.3 | 173.3 | -71 | -55.1 | 0 | 0 | 0 | 112.7 | I336 I376 S377 M382 I383 W384 F411 M412 Y415 | I336-F380 HydrophobicContact CD1-CB 3.87Å; I336-F380 HydrophobicContact CG1-CB 3.79Å; I336-F380 HydrophobicContact CG2-CB 4.44Å; I376-F380 HydrophobicContact CG2-CD2 3.92Å; I376-F380 HydrophobicContact CG2-CE2 3.62Å; I376-F380 VanDerWaalsContact O-CD2 3.26Å; I376-F380 WeakPolarHBondContact O-CD2 3.27Å; I376-F380 PolarHBondContact O-N 3.44Å; I376-F380 VanDerWaalsContact O-N 3.12Å; S377-F380 PolarHBondContact O-N 3.07Å; F380-M382 VanDerWaalsContact C-N 3.31Å; F380-M382 PolarHBondContact O-N 3.37Å; F380-I383 PolarHBondContact O-N 3.11Å; F380-I383 VanDerWaalsContact O-N 3.16Å; F380-W384 WeakPolarHBondContact O-CB 3.18Å; F380-W384 PolarHBondContact O-N 3.35Å; F380-F411 HydrophobicContact CD1-CD1 4.5Å; F380-F411 HydrophobicContact CD1-CE1 4.22Å; F380-F411 HydrophobicContact CE1-CD1 4.19Å; F380-F411 AromaticContact CE1-CE1 3.88Å; F380-F411 HydrophobicContact CE1-CE1 3.88Å; F380-M412 HydrophobicContact CD1-CE 4.4Å; F380-M412 HydrophobicContact CD1-CG 3.88Å; F380-M412 HydrophobicContact CE1-CB 4.49Å; F380-M412 HydrophobicContact CE1-CG 3.88Å; F380-M412 HydrophobicContact CG-CE 4.3Å; F380-Y415 HydrophobicContact CE1-CD1 4.45Å; F380-Y415 HydrophobicContact CE1-CG 4.23Å; F380-Y415 HydrophobicContact CE2-CD1 4.35Å; F380-Y415 HydrophobicContact CE2-CE1 4.28Å; F380-Y415 AromaticContact CZ-CD1 3.55Å; F380-Y415 HydrophobicContact CZ-CD1 3.55Å; F380-Y415 HydrophobicContact CZ-CD2 4.23Å; F380-Y415 AromaticContact CZ-CE1 3.85Å; F380-Y415 HydrophobicContact CZ-CE1 3.85Å; F380-Y415 HydrophobicContact CZ-CE2 4.49Å; F380-Y415 AromaticContact CZ-CG 3.75Å; F380-Y415 HydrophobicContact CZ-CG 3.75Å |
| 381 | A | 97.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F301 I336 S377 F378 I383 W384 G385 | F301-A381 HydrophobicContact CD1-CB 4.09Å; F301-A381 HydrophobicContact CD2-CB 3.62Å; F301-A381 WeakPolarHBondContact CD2-O 3.1Å; F301-A381 HydrophobicContact CE1-CB 4.21Å; F301-A381 HydrophobicContact CE2-CB 3.75Å; F301-A381 WeakPolarHBondContact CE2-O 3.41Å; F301-A381 HydrophobicContact CG-CB 3.78Å; F301-A381 HydrophobicContact CZ-CB 4.04Å; I336-A381 HydrophobicContact CG2-CB 3.78Å; S377-A381 WeakPolarHBondContact O-CB 3.35Å; S377-A381 PolarHBondContact O-N 3.39Å; F378-A381 HydrophobicContact CD1-CB 4.11Å; F378-A381 PolarHBondContact O-N 3.45Å; A381-I383 VanDerWaalsContact C-N 3.33Å; A381-I383 PolarHBondContact O-N 3.32Å; A381-W384 PolarHBondContact O-N 2.93Å; A381-G385 PolarHBondContact O-N 3.4Å |
| 382 | M | 96.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 27.3 Ų | 27.3 | 18% | 0.177 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -38 | 174.8 | 179.4 | -170.3 | 72.4 | 0 | 0 | 112.8 | F297 V300 Q304 F378 F379 F380 C386 | F297-M382 HydrophobicContact CD1-CE 4.1Å; F297-M382 HydrophobicContact CD1-SD 3.74Å; F297-M382 HydrophobicContact CE1-CE 4.16Å; F297-M382 HydrophobicContact CE1-SD 4.27Å; V300-M382 HydrophobicContact CB-CG 4.43Å; V300-M382 HydrophobicContact CB-SD 4.36Å; V300-M382 HydrophobicContact CG1-CG 3.81Å; V300-M382 HydrophobicContact CG1-SD 4.02Å; Q304-M382 PolarHBondContact NE2-O 3.43Å; Q304-M382 PolarHBondContact OE1-O 3.09Å; F378-M382 VanDerWaalsContact O-CB 3.29Å; F378-M382 WeakPolarHBondContact O-CB 3.39Å; F378-M382 PolarHBondContact O-N 2.86Å; F379-M382 HydrophobicContact CD2-CE 3.93Å; F379-M382 HydrophobicContact CE2-CE 4.16Å; F380-M382 VanDerWaalsContact C-N 3.31Å; F380-M382 PolarHBondContact O-N 3.37Å; M382-C386 PolarHBondContact O-N 2.88Å; M382-C386 PolarHBondContact O-SG 2.87Å |
| 383 | I | 97.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 28.4 Ų | 28.4 | 20% | 0.195 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75.2 | -39.3 | 177.6 | -64.7 | 170.4 | 0 | 0 | 0 | 110.7 | F379 F380 A381 G385 C386 A387 L408 F411 | F379-I383 HydrophobicContact CD1-CD1 4.21Å; F379-I383 HydrophobicContact CE1-CD1 3.72Å; F379-I383 HydrophobicContact CE2-CD1 4.05Å; F379-I383 HydrophobicContact CZ-CD1 3.63Å; F379-I383 WeakPolarHBondContact O-CG1 3.26Å; F379-I383 PolarHBondContact O-N 2.87Å; F380-I383 PolarHBondContact O-N 3.11Å; F380-I383 VanDerWaalsContact O-N 3.16Å; A381-I383 VanDerWaalsContact C-N 3.33Å; A381-I383 PolarHBondContact O-N 3.32Å; I383-G385 VanDerWaalsContact C-N 3.32Å; I383-G385 PolarHBondContact O-N 3.19Å; I383-C386 PolarHBondContact O-N 3.42Å; I383-A387 WeakPolarHBondContact O-CB 3.41Å; I383-A387 PolarHBondContact O-N 3.26Å; I383-L408 HydrophobicContact CG2-CD1 3.94Å; I383-F411 HydrophobicContact CD1-CD1 4.05Å; I383-F411 HydrophobicContact CD1-CE1 3.4Å; I383-F411 HydrophobicContact CD1-CZ 3.81Å |
| 384 | W | 98 | Very high | 95.4 | Very high | 27 Ų | 27 | 27.9 Ų | 27.9 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 171.5 | -178.8 | 102.6 | 0 | 0 | 0 | 111.2 | F301 I308 F329 F333 I336 F380 A381 A387 L388 L408 | F301-W384 HydrophobicContact CE2-CE3 4.28Å; I308-W384 HydrophobicContact CD1-CZ3 4.4Å; F329-W384 HydrophobicContact CB-CZ2 4.45Å; F329-W384 AromaticContact CD1-NE1 3.84Å; F329-W384 PolarHBondContact O-NE1 2.87Å; F333-W384 HydrophobicContact CB-CZ2 3.77Å; F333-W384 AromaticContact CD2-CH2 3.99Å; F333-W384 HydrophobicContact CD2-CH2 3.99Å; F333-W384 AromaticContact CD2-CZ2 3.77Å; F333-W384 HydrophobicContact CD2-CZ2 3.77Å; F333-W384 HydrophobicContact CG-CZ2 4.04Å; I336-W384 HydrophobicContact CD1-CB 3.71Å; I336-W384 HydrophobicContact CD1-CG 4.08Å; F380-W384 WeakPolarHBondContact O-CB 3.18Å; F380-W384 PolarHBondContact O-N 3.35Å; A381-W384 PolarHBondContact O-N 2.93Å; W384-A387 PolarHBondContact O-N 3.28Å; W384-L388 HydrophobicContact CH2-CD2 3.38Å; W384-L388 HydrophobicContact CZ2-CD2 3.97Å; W384-L388 HydrophobicContact CZ3-CD2 3.73Å; W384-L388 WeakPolarHBondContact O-CB 3.46Å; W384-L388 PolarHBondContact O-N 3.19Å; W384-L408 HydrophobicContact CB-CD1 4.38Å; W384-L408 HydrophobicContact CB-CD2 4.38Å; W384-L408 HydrophobicContact CG-CD2 4.3Å |
| 385 | G | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A381 I383 A387 L388 I389 | A381-G385 PolarHBondContact O-N 3.4Å; I383-G385 VanDerWaalsContact C-N 3.32Å; I383-G385 PolarHBondContact O-N 3.19Å; G385-A387 VanDerWaalsContact C-N 3.34Å; G385-A387 PolarHBondContact O-N 3.47Å; G385-L388 PolarHBondContact O-N 3.18Å; G385-I389 WeakPolarHBondContact O-CB 3.32Å; G385-I389 VanDerWaalsContact O-CG1 3.23Å; G385-I389 WeakPolarHBondContact O-CG1 3.41Å; G385-I389 PolarHBondContact O-N 3.07Å |
| 386 | C | 96.5 | Very high | 94.6 | Very high | 69 Ų | 69 | 36.2 Ų | 36.2 | 47% | 0.466 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.2 | -44.9 | 171.9 | -65.6 | 0 | 0 | 0 | 0 | 112 | Q304 M382 I383 I389 Y390 | Q304-C386 PolarHBondContact NE2-SG 2.91Å; M382-C386 PolarHBondContact O-N 2.88Å; M382-C386 PolarHBondContact O-SG 2.87Å; I383-C386 PolarHBondContact O-N 3.42Å; C386-I389 PolarHBondContact O-N 3.38Å; C386-Y390 WeakPolarHBondContact O-CB 3.49Å; C386-Y390 PolarHBondContact O-N 3.48Å |
| 387 | A | 96.6 | Very high | 94.3 | Very high | 10 Ų | 10 | 40 Ų | 40 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F329 I383 W384 G385 Y390 F391 S404 L408 | F329-A387 HydrophobicContact CE1-CB 3.81Å; F329-A387 HydrophobicContact CZ-CB 4.26Å; I383-A387 WeakPolarHBondContact O-CB 3.41Å; I383-A387 PolarHBondContact O-N 3.26Å; W384-A387 PolarHBondContact O-N 3.28Å; G385-A387 VanDerWaalsContact C-N 3.34Å; G385-A387 PolarHBondContact O-N 3.47Å; A387-Y390 PolarHBondContact O-N 3.2Å; A387-F391 PolarHBondContact O-N 3.07Å; A387-S404 WeakPolarHBondContact O-CB 3.42Å; A387-S404 PolarHBondContact O-OG 2.94Å; A387-S404 VanDerWaalsContact O-OG 3.09Å; A387-L408 HydrophobicContact CB-CB 4.33Å; A387-L408 HydrophobicContact CB-CD2 4.33Å |
| 388 | L | 95.5 | Very high | 93.9 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.3 | -38.6 | 176.1 | -178.5 | 58.7 | 0 | 0 | 0 | 112.1 | I308 F329 W384 G385 F391 L392 | I308-L388 HydrophobicContact CD1-CB 4.44Å; I308-L388 HydrophobicContact CD1-CD2 4.12Å; I308-L388 HydrophobicContact CD1-CG 4.45Å; I308-L388 HydrophobicContact CG1-CD2 4.48Å; I308-L388 HydrophobicContact CG2-CD2 3.92Å; F329-L388 HydrophobicContact CD2-CD1 4.01Å; F329-L388 HydrophobicContact CE1-CB 4.37Å; F329-L388 HydrophobicContact CE2-CD1 4.03Å; F329-L388 HydrophobicContact CG-CD1 4.47Å; F329-L388 HydrophobicContact CZ-CB 4.43Å; F329-L388 HydrophobicContact CZ-CD1 4.49Å; W384-L388 HydrophobicContact CH2-CD2 3.38Å; W384-L388 HydrophobicContact CZ2-CD2 3.97Å; W384-L388 HydrophobicContact CZ3-CD2 3.73Å; W384-L388 WeakPolarHBondContact O-CB 3.46Å; W384-L388 PolarHBondContact O-N 3.19Å; G385-L388 PolarHBondContact O-N 3.18Å; L388-F391 HydrophobicContact CD1-CD1 4.46Å; L388-F391 PolarHBondContact O-N 3.29Å; L388-L392 HydrophobicContact CD1-CD1 4.34Å; L388-L392 HydrophobicContact CD1-CG 4.23Å; L388-L392 HydrophobicContact CG-CD1 4.04Å; L388-L392 HydrophobicContact CG-CG 4.41Å; L388-L392 WeakPolarHBondContact O-CB 2.91Å; L388-L392 VanDerWaalsContact O-CG 3.28Å; L388-L392 WeakPolarHBondContact O-CG 3.45Å; L388-L392 PolarHBondContact O-N 3.24Å |
| 389 | I | 94.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 21% | 0.205 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 173.1 | -70 | 168.7 | 0 | 0 | 0 | 110.3 | Q304 V307 I308 G385 C386 F391 L392 F393 | Q304-I389 HydrophobicContact CB-CD1 3.99Å; Q304-I389 HydrophobicContact CG-CD1 4Å; V307-I389 HydrophobicContact CB-CD1 4.49Å; V307-I389 HydrophobicContact CG1-CD1 4.2Å; I308-I389 HydrophobicContact CD1-CD1 4.33Å; I308-I389 HydrophobicContact CD1-CG1 4.02Å; I308-I389 HydrophobicContact CG1-CD1 4.1Å; I308-I389 HydrophobicContact CG1-CG1 3.57Å; G385-I389 WeakPolarHBondContact O-CB 3.32Å; G385-I389 VanDerWaalsContact O-CG1 3.23Å; G385-I389 WeakPolarHBondContact O-CG1 3.41Å; G385-I389 PolarHBondContact O-N 3.07Å; C386-I389 PolarHBondContact O-N 3.38Å; I389-F391 VanDerWaalsContact C-N 3.32Å; I389-F391 PolarHBondContact O-N 2.99Å; I389-L392 PolarHBondContact O-N 2.94Å; I389-F393 HydrophobicContact CG2-CD2 3.92Å; I389-F393 HydrophobicContact CG2-CE2 4.28Å; I389-F393 WeakPolarHBondContact O-CD2 3.39Å; I389-F393 PolarHBondContact O-N 3.09Å |
| 390 | Y | 94.3 | Very high | 93 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.1 | -43 | 174.1 | 178.4 | -79.8 | 0 | 0 | 0 | 111.9 | C386 A387 S394 L397 S399 | C386-Y390 WeakPolarHBondContact O-CB 3.49Å; C386-Y390 PolarHBondContact O-N 3.48Å; A387-Y390 PolarHBondContact O-N 3.2Å; Y390-S394 WeakPolarHBondContact O-CA 3.5Å; Y390-S394 WeakPolarHBondContact O-CB 3.18Å; Y390-S394 PolarHBondContact O-N 2.96Å; Y390-L397 HydrophobicContact CD2-CD1 4.46Å; Y390-S399 WeakPolarHBondContact OH-CB 3.41Å; Y390-S399 PolarHBondContact OH-OG 3.11Å |
| 391 | F | 93.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 174.5 | 177.5 | -93.6 | 0 | 0 | 0 | 112 | P319 A325 F329 A387 L388 I389 F393 S394 Y402 | P319-F391 HydrophobicContact CB-CE1 4.39Å; P319-F391 HydrophobicContact CB-CZ 4.37Å; A325-F391 HydrophobicContact CB-CD1 4.22Å; A325-F391 HydrophobicContact CB-CD2 4.02Å; A325-F391 HydrophobicContact CB-CE1 3.67Å; A325-F391 HydrophobicContact CB-CE2 3.44Å; A325-F391 VanDerWaalsContact CB-CE2 3.44Å; A325-F391 HydrophobicContact CB-CG 4.4Å; A325-F391 HydrophobicContact CB-CZ 3.26Å; F329-F391 HydrophobicContact CE2-CB 3.78Å; F329-F391 HydrophobicContact CE2-CD1 4.48Å; F329-F391 HydrophobicContact CE2-CD2 4.43Å; F329-F391 AromaticContact CE2-CG 3.96Å; F329-F391 HydrophobicContact CE2-CG 3.96Å; F329-F391 HydrophobicContact CZ-CB 4.05Å; A387-F391 PolarHBondContact O-N 3.07Å; L388-F391 HydrophobicContact CD1-CD1 4.46Å; L388-F391 PolarHBondContact O-N 3.29Å; I389-F391 VanDerWaalsContact C-N 3.32Å; I389-F391 PolarHBondContact O-N 2.99Å; F391-F393 VanDerWaalsContact C-N 3.31Å; F391-F393 PolarHBondContact O-N 3.07Å; F391-S394 VanDerWaalsContact O-CB 3.28Å; F391-S394 WeakPolarHBondContact O-CB 3.48Å; F391-S394 PolarHBondContact O-N 3.38Å; F391-S394 VanDerWaalsContact O-N 3.16Å; F391-S394 PolarHBondContact O-OG 2.97Å; F391-Y402 HydrophobicContact CE2-CD1 4.35Å; F391-Y402 HydrophobicContact CE2-CE1 4.1Å; F391-Y402 HydrophobicContact CE2-CE2 4.45Å |
| 392 | L | 92.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -33.7 | -177.4 | -72.3 | 168.8 | 0 | 0 | 0 | 113.3 | I308 T311 L318 P319 L388 I389 | I308-L392 HydrophobicContact CG1-CD1 4.42Å; I308-L392 HydrophobicContact CG2-CD1 4.21Å; T311-L392 HydrophobicContact CG2-CB 4.07Å; T311-L392 HydrophobicContact CG2-CD1 4.03Å; T311-L392 HydrophobicContact CG2-CD2 4.43Å; T311-L392 HydrophobicContact CG2-CG 4.41Å; L318-L392 HydrophobicContact CD2-CD2 3.87Å; P319-L392 WeakPolarHBondContact CG-O 3.4Å; L388-L392 HydrophobicContact CD1-CD1 4.34Å; L388-L392 HydrophobicContact CD1-CG 4.23Å; L388-L392 HydrophobicContact CG-CD1 4.04Å; L388-L392 HydrophobicContact CG-CG 4.41Å; L388-L392 WeakPolarHBondContact O-CB 2.91Å; L388-L392 VanDerWaalsContact O-CG 3.28Å; L388-L392 WeakPolarHBondContact O-CG 3.45Å; L388-L392 PolarHBondContact O-N 3.24Å; I389-L392 PolarHBondContact O-N 2.94Å |
| 393 | F | 91.5 | Very high | 92.1 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 27% | 0.272 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 8.7 | 176.8 | -72.4 | -85.9 | 0 | 0 | 0 | 113.6 | T311 L315 I389 F391 E395 V396 L397 | T311-F393 HydrophobicContact CG2-CE2 4.29Å; T311-F393 HydrophobicContact CG2-CZ 4.44Å; L315-F393 HydrophobicContact CD1-CE1 3.83Å; L315-F393 HydrophobicContact CD1-CZ 3.7Å; I389-F393 HydrophobicContact CG2-CD2 3.92Å; I389-F393 HydrophobicContact CG2-CE2 4.28Å; I389-F393 WeakPolarHBondContact O-CD2 3.39Å; I389-F393 PolarHBondContact O-N 3.09Å; F391-F393 VanDerWaalsContact C-N 3.31Å; F391-F393 PolarHBondContact O-N 3.07Å; F393-E395 VanDerWaalsContact C-N 3.32Å; F393-E395 PolarHBondContact O-N 2.98Å; F393-V396 HydrophobicContact CD1-CG2 4.46Å; F393-V396 PolarHBondContact O-N 2.96Å; F393-V396 VanDerWaalsContact O-N 3.1Å; F393-L397 HydrophobicContact CB-CD1 4.21Å; F393-L397 HydrophobicContact CB-CG 4.43Å; F393-L397 WeakPolarHBondContact O-CG 3.24Å; F393-L397 PolarHBondContact O-N 3.48Å |
| 394 | S | 90.8 | Very high | 92 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -36.7 | -171.2 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | Y390 F391 L397 H398 S399 | Y390-S394 WeakPolarHBondContact O-CA 3.5Å; Y390-S394 WeakPolarHBondContact O-CB 3.18Å; Y390-S394 PolarHBondContact O-N 2.96Å; F391-S394 VanDerWaalsContact O-CB 3.28Å; F391-S394 WeakPolarHBondContact O-CB 3.48Å; F391-S394 PolarHBondContact O-N 3.38Å; F391-S394 VanDerWaalsContact O-N 3.16Å; F391-S394 PolarHBondContact O-OG 2.97Å; S394-L397 CarbonylContact O-C 3.6Å; S394-L397 PolarHBondContact O-N 2.88Å; S394-H398 PolarHBondContact O-N 3.14Å; S394-S399 PolarHBondContact O-N 3.09Å; S394-S399 PolarHBondContact O-OG 2.88Å |
| 395 | E | 84.7 | Confident | 91.8 | Very high | 101 Ų | 101 | 45 Ų | 45 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -43.5 | 174.9 | -61 | -169.7 | 110.4 | 0 | 0 | 112.2 | P319 P320 F393 L397 H398 | P319-E395 WeakPolarHBondContact CA-OE2 3.24Å; P319-E395 HydrophobicContact CB-CG 4.44Å; P320-E395 WeakPolarHBondContact CD-OE1 3.46Å; P320-E395 WeakPolarHBondContact CD-OE2 3.34Å; P320-E395 WeakPolarHBondContact CG-OE1 3.45Å; F393-E395 VanDerWaalsContact C-N 3.32Å; F393-E395 PolarHBondContact O-N 2.98Å; E395-L397 VanDerWaalsContact C-N 3.28Å; E395-L397 PolarHBondContact O-N 3.18Å; E395-H398 PolarHBondContact O-N 3.33Å; E395-H398 VanDerWaalsContact O-N 3.09Å; E395-H398 PolarHBondContact O-ND1 3.12Å |
| 396 | V | 87.5 | Confident | 91.7 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 67% | 0.673 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -32.2 | 177.8 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | F393 H398 | F393-V396 HydrophobicContact CD1-CG2 4.46Å; F393-V396 PolarHBondContact O-N 2.96Å; F393-V396 VanDerWaalsContact O-N 3.1Å; V396-H398 VanDerWaalsContact C-N 3.3Å |
| 397 | L | 88.2 | Confident | 91.7 | Very high | 103 Ų | 103 | 48 Ų | 48 | 54% | 0.539 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -0.2 | 175 | -65 | 172.4 | 0 | 0 | 0 | 113.3 | Y390 F393 S394 E395 S399 | Y390-L397 HydrophobicContact CD2-CD1 4.46Å; F393-L397 HydrophobicContact CB-CD1 4.21Å; F393-L397 HydrophobicContact CB-CG 4.43Å; F393-L397 WeakPolarHBondContact O-CG 3.24Å; F393-L397 PolarHBondContact O-N 3.48Å; S394-L397 CarbonylContact O-C 3.6Å; S394-L397 PolarHBondContact O-N 2.88Å; E395-L397 VanDerWaalsContact C-N 3.28Å; E395-L397 PolarHBondContact O-N 3.18Å; L397-S399 PolarHBondContact O-N 2.89Å |
| 398 | H | 86.8 | Confident | 91.7 | Very high | 182 Ų | 182 | 47.7 Ų | 47.7 | 84% | 0.843 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 43 | -173.8 | -58.9 | -29.8 | 0 | 0 | 0 | 113.2 | S394 E395 V396 | S394-H398 PolarHBondContact O-N 3.14Å; E395-H398 PolarHBondContact O-N 3.33Å; E395-H398 VanDerWaalsContact O-N 3.09Å; E395-H398 PolarHBondContact O-ND1 3.12Å; V396-H398 VanDerWaalsContact C-N 3.3Å |
| 399 | S | 86.6 | Confident | 91.7 | Very high | 29 Ų | 29 | 48 Ų | 48 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -127.6 | 153.6 | -167.6 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | Y390 S394 L397 G401 | Y390-S399 WeakPolarHBondContact OH-CB 3.41Å; Y390-S399 PolarHBondContact OH-OG 3.11Å; S394-S399 PolarHBondContact O-N 3.09Å; S394-S399 PolarHBondContact O-OG 2.88Å; L397-S399 PolarHBondContact O-N 2.89Å; S399-G401 PolarHBondContact O-N 2.91Å |
| 400 | P | 89.5 | Confident | 91.7 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | trans | -72.6 | 97.3 | -177.6 | 27.4 | -33.6 | 0 | 0 | 0 | 111.1 | Y402 A403 G483 M484 | P400-Y402 VanDerWaalsContact C-N 3.28Å; P400-Y402 PolarHBondContact O-N 2.78Å; P400-A403 HydrophobicContact CB-CB 4.5Å; P400-A403 HydrophobicContact CG-CB 4.21Å; P400-A403 WeakPolarHBondContact O-CB 3.34Å; P400-A403 PolarHBondContact O-N 3.24Å; P400-G483 WeakPolarHBondContact CB-O 3.36Å; P400-M484 HydrophobicContact CB-CB 4.14Å; P400-M484 HydrophobicContact CB-CE 4.46Å; P400-M484 HydrophobicContact CG-CE 3.96Å | ||
| 401 | G | 89.1 | Confident | 91.8 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -40.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | S399 A403 S404 | S399-G401 PolarHBondContact O-N 2.91Å; G401-A403 PolarHBondContact O-N 3.06Å; G401-A403 VanDerWaalsContact O-N 3.15Å; G401-S404 PolarHBondContact O-N 3.29Å; G401-S404 VanDerWaalsContact O-N 3.11Å; G401-S404 PolarHBondContact O-OG 3.42Å |
| 402 | Y | 91 | Very high | 91.9 | Very high | 21 Ų | 21 | 49 Ų | 49 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -10.9 | 178.3 | -62.4 | -80.7 | 0 | 0 | 0 | 114.3 | H321 P324 A325 L328 F391 P400 S404 P405 F473 Y474 I478 Y486 | H321-Y402 PolarHBondContact O-OH 2.66Å; P324-Y402 HydrophobicContact CB-CE1 4.43Å; A325-Y402 HydrophobicContact CB-CE1 3.9Å; L328-Y402 HydrophobicContact CD1-CD1 3.96Å; L328-Y402 HydrophobicContact CD1-CE1 4.38Å; F391-Y402 HydrophobicContact CE2-CD1 4.35Å; F391-Y402 HydrophobicContact CE2-CE1 4.1Å; F391-Y402 HydrophobicContact CE2-CE2 4.45Å; P400-Y402 VanDerWaalsContact C-N 3.28Å; P400-Y402 PolarHBondContact O-N 2.78Å; Y402-S404 PolarHBondContact O-N 3.48Å; Y402-P405 WeakPolarHBondContact O-CD 3.33Å; Y402-P405 WeakPolarHBondContact O-CG 3.33Å; Y402-F473 AromaticContact CD1-CE1 3.73Å; Y402-F473 HydrophobicContact CD1-CE1 3.73Å; Y402-F473 AromaticContact CD1-CZ 3.5Å; Y402-F473 HydrophobicContact CD1-CZ 3.5Å; Y402-F473 VanDerWaalsContact CD1-CZ 3.5Å; Y402-F473 HydrophobicContact CE1-CE1 4.29Å; Y402-F473 HydrophobicContact CE1-CE2 4.43Å; Y402-F473 AromaticContact CE1-CZ 3.6Å; Y402-F473 HydrophobicContact CE1-CZ 3.6Å; Y402-F473 HydrophobicContact CG-CE1 4.14Å; Y402-F473 HydrophobicContact CG-CZ 4.06Å; Y402-Y474 PolarHBondContact O-OH 3.05Å; Y402-I478 HydrophobicContact CD2-CD1 4.36Å; Y402-I478 HydrophobicContact CG-CD1 4.21Å; Y402-Y486 VanDerWaalsContact CE2-CB 3.43Å; Y402-Y486 HydrophobicContact CE2-CD1 4.26Å; Y402-Y486 AromaticContact CE2-CG 3.86Å; Y402-Y486 HydrophobicContact CE2-CG 3.86Å |
| 403 | A | 92.9 | Very high | 92 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 11% | 0.107 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -29.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P400 G401 L406 V407 M484 | P400-A403 HydrophobicContact CB-CB 4.5Å; P400-A403 HydrophobicContact CG-CB 4.21Å; P400-A403 WeakPolarHBondContact O-CB 3.34Å; P400-A403 PolarHBondContact O-N 3.24Å; G401-A403 PolarHBondContact O-N 3.06Å; G401-A403 VanDerWaalsContact O-N 3.15Å; A403-L406 WeakPolarHBondContact O-CB 3.45Å; A403-L406 PolarHBondContact O-N 3.28Å; A403-V407 VanDerWaalsContact O-CG2 3.31Å; A403-V407 WeakPolarHBondContact O-CG2 3.11Å; A403-V407 PolarHBondContact O-N 2.85Å; A403-M484 HydrophobicContact CB-CE 3.75Å; A403-M484 HydrophobicContact CB-SD 4.47Å |
| 404 | S | 94.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.3 | -46.5 | -176.3 | 58.6 | 0 | 0 | 0 | 0 | 115 | A387 G401 Y402 L406 V407 L408 | A387-S404 WeakPolarHBondContact O-CB 3.42Å; A387-S404 PolarHBondContact O-OG 2.94Å; A387-S404 VanDerWaalsContact O-OG 3.09Å; G401-S404 PolarHBondContact O-N 3.29Å; G401-S404 VanDerWaalsContact O-N 3.11Å; G401-S404 PolarHBondContact O-OG 3.42Å; Y402-S404 PolarHBondContact O-N 3.48Å; S404-L406 VanDerWaalsContact C-N 3.29Å; S404-L406 PolarHBondContact O-N 3.04Å; S404-V407 PolarHBondContact O-N 3.29Å; S404-L408 VanDerWaalsContact O-CB 3.31Å; S404-L408 WeakPolarHBondContact O-CB 3.23Å; S404-L408 PolarHBondContact O-N 3.44Å |
| 405 | P | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -32.6 | 171.2 | 16.2 | -25.1 | 0 | 0 | 0 | 113.1 | L328 F329 Y402 V409 Y474 | L328-P405 HydrophobicContact CB-CB 3.92Å; L328-P405 HydrophobicContact CB-CG 4.27Å; L328-P405 HydrophobicContact CD1-CG 4.25Å; F329-P405 HydrophobicContact CE1-CB 4.3Å; F329-P405 HydrophobicContact CE2-CB 4.37Å; F329-P405 HydrophobicContact CE2-CG 4.11Å; F329-P405 HydrophobicContact CZ-CB 4.18Å; F329-P405 HydrophobicContact CZ-CG 4.14Å; Y402-P405 WeakPolarHBondContact O-CD 3.33Å; Y402-P405 WeakPolarHBondContact O-CG 3.33Å; P405-V409 WeakPolarHBondContact O-CG2 3.44Å; P405-V409 PolarHBondContact O-N 2.99Å; P405-Y474 WeakPolarHBondContact CG-OH 3.45Å |
| 406 | L | 94.9 | Very high | 92.7 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 18% | 0.183 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -50 | 174.2 | 178.2 | 62.8 | 0 | 0 | 0 | 112.3 | A403 S404 L408 S410 F470 Y474 W480 | A403-L406 WeakPolarHBondContact O-CB 3.45Å; A403-L406 PolarHBondContact O-N 3.28Å; S404-L406 VanDerWaalsContact C-N 3.29Å; S404-L406 PolarHBondContact O-N 3.04Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.04Å; L406-S410 VanDerWaalsContact O-CB 3.27Å; L406-S410 WeakPolarHBondContact O-CB 3.2Å; L406-S410 PolarHBondContact O-N 3.48Å; L406-S410 PolarHBondContact O-OG 2.93Å; L406-F470 HydrophobicContact CD1-CE1 4.32Å; L406-F470 HydrophobicContact CD1-CZ 3.9Å; L406-Y474 HydrophobicContact CB-CE1 3.8Å; L406-Y474 HydrophobicContact CB-CE2 4.39Å; L406-Y474 HydrophobicContact CD1-CD1 4.41Å; L406-Y474 HydrophobicContact CD1-CD2 4.39Å; L406-Y474 HydrophobicContact CD1-CE1 4.44Å; L406-Y474 HydrophobicContact CD1-CE2 4.45Å; L406-Y474 HydrophobicContact CD1-CG 4.41Å; L406-Y474 HydrophobicContact CD2-CD1 4.34Å; L406-Y474 HydrophobicContact CD2-CE1 4.26Å; L406-Y474 HydrophobicContact CG-CE1 4.39Å; L406-Y474 PolarHBondContact N-OH 3.38Å; L406-W480 HydrophobicContact CD2-CH2 3.68Å; L406-W480 HydrophobicContact CD2-CZ3 4.32Å |
| 407 | V | 95.6 | Very high | 93 | Very high | 97 Ų | 97 | 52.8 Ų | 52.8 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 178.1 | 168 | 0 | 0 | 0 | 0 | 110.7 | A403 S404 S410 F411 | A403-V407 VanDerWaalsContact O-CG2 3.31Å; A403-V407 WeakPolarHBondContact O-CG2 3.11Å; A403-V407 PolarHBondContact O-N 2.85Å; S404-V407 PolarHBondContact O-N 3.29Å; V407-S410 PolarHBondContact O-N 3.4Å; V407-F411 VanDerWaalsContact O-CB 3.28Å; V407-F411 WeakPolarHBondContact O-CB 3.26Å; V407-F411 PolarHBondContact O-N 2.87Å |
| 408 | L | 96.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -52.4 | 177.8 | 174.9 | 65.6 | 0 | 0 | 0 | 112.5 | F329 T332 I383 W384 A387 S404 L406 S410 F411 M412 | F329-L408 HydrophobicContact CD1-CD2 4.03Å; F329-L408 HydrophobicContact CE1-CD2 4Å; T332-L408 HydrophobicContact CG2-CD2 4.09Å; T332-L408 HydrophobicContact CG2-CG 4.23Å; T332-L408 WeakPolarHBondContact OG1-CD2 3.46Å; I383-L408 HydrophobicContact CG2-CD1 3.94Å; W384-L408 HydrophobicContact CB-CD1 4.38Å; W384-L408 HydrophobicContact CB-CD2 4.38Å; W384-L408 HydrophobicContact CG-CD2 4.3Å; A387-L408 HydrophobicContact CB-CB 4.33Å; A387-L408 HydrophobicContact CB-CD2 4.33Å; S404-L408 VanDerWaalsContact O-CB 3.31Å; S404-L408 WeakPolarHBondContact O-CB 3.23Å; S404-L408 PolarHBondContact O-N 3.44Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.04Å; L408-S410 VanDerWaalsContact C-N 3.33Å; L408-S410 PolarHBondContact O-N 2.95Å; L408-F411 PolarHBondContact O-N 3.16Å; L408-M412 HydrophobicContact CD1-CG 4.39Å; L408-M412 HydrophobicContact CD1-SD 4.13Å; L408-M412 HydrophobicContact CG-SD 4.4Å; L408-M412 WeakPolarHBondContact O-CG 3.47Å; L408-M412 PolarHBondContact O-N 3.31Å |
| 409 | V | 95.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 44.7 Ų | 44.7 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 179.4 | 169.4 | 0 | 0 | 0 | 0 | 111 | T332 P405 M412 T413 F470 | T332-V409 HydrophobicContact CG2-CG2 3.54Å; P405-V409 WeakPolarHBondContact O-CG2 3.44Å; P405-V409 PolarHBondContact O-N 2.99Å; V409-M412 PolarHBondContact O-N 3.39Å; V409-T413 VanDerWaalsContact O-CB 3.31Å; V409-T413 WeakPolarHBondContact O-CB 3.39Å; V409-T413 PolarHBondContact O-N 3.12Å; V409-T413 PolarHBondContact O-OG1 3.27Å; V409-F470 HydrophobicContact CB-CE1 4.49Å; V409-F470 HydrophobicContact CB-CE2 3.62Å; V409-F470 HydrophobicContact CB-CZ 3.6Å; V409-F470 HydrophobicContact CG1-CE1 4.07Å; V409-F470 HydrophobicContact CG1-CE2 3.96Å; V409-F470 HydrophobicContact CG1-CZ 3.67Å; V409-F470 HydrophobicContact CG2-CD2 4.05Å; V409-F470 HydrophobicContact CG2-CE2 3.46Å; V409-F470 VanDerWaalsContact CG2-CE2 3.46Å; V409-F470 HydrophobicContact CG2-CZ 4.01Å |
| 410 | S | 95.7 | Very high | 93.4 | Very high | 51 Ų | 51 | 50 Ų | 50 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 174.6 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | L406 V407 L408 T413 L414 | L406-S410 VanDerWaalsContact O-CB 3.27Å; L406-S410 WeakPolarHBondContact O-CB 3.2Å; L406-S410 PolarHBondContact O-N 3.48Å; L406-S410 PolarHBondContact O-OG 2.93Å; V407-S410 PolarHBondContact O-N 3.4Å; L408-S410 VanDerWaalsContact C-N 3.33Å; L408-S410 PolarHBondContact O-N 2.95Å; S410-T413 PolarHBondContact O-N 3.4Å; S410-L414 WeakPolarHBondContact O-CB 3.4Å; S410-L414 VanDerWaalsContact O-CG 3.25Å; S410-L414 WeakPolarHBondContact O-CG 3.44Å; S410-L414 PolarHBondContact O-N 3.2Å |
| 411 | F | 96.1 | Very high | 93.1 | Very high | 78 Ų | 78 | 53 Ų | 53 | 34% | 0.342 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 178 | 178.7 | -94.4 | 0 | 0 | 0 | 112.4 | F379 F380 I383 V407 L408 T413 L414 Y415 | F379-F411 AromaticContact CE1-CE1 3.92Å; F379-F411 HydrophobicContact CE1-CE1 3.92Å; F379-F411 AromaticContact CE1-CZ 3.85Å; F379-F411 HydrophobicContact CE1-CZ 3.85Å; F379-F411 HydrophobicContact CZ-CE1 4.43Å; F379-F411 HydrophobicContact CZ-CZ 4.01Å; F380-F411 HydrophobicContact CD1-CD1 4.5Å; F380-F411 HydrophobicContact CD1-CE1 4.22Å; F380-F411 HydrophobicContact CE1-CD1 4.19Å; F380-F411 AromaticContact CE1-CE1 3.88Å; F380-F411 HydrophobicContact CE1-CE1 3.88Å; I383-F411 HydrophobicContact CD1-CD1 4.05Å; I383-F411 HydrophobicContact CD1-CE1 3.4Å; I383-F411 HydrophobicContact CD1-CZ 3.81Å; V407-F411 VanDerWaalsContact O-CB 3.28Å; V407-F411 WeakPolarHBondContact O-CB 3.26Å; V407-F411 PolarHBondContact O-N 2.87Å; L408-F411 PolarHBondContact O-N 3.16Å; F411-T413 VanDerWaalsContact C-N 3.33Å; F411-T413 PolarHBondContact O-N 2.76Å; F411-L414 PolarHBondContact O-N 3.28Å; F411-Y415 VanDerWaalsContact O-CB 3.32Å; F411-Y415 WeakPolarHBondContact O-CB 3.35Å; F411-Y415 PolarHBondContact O-N 3.33Å |
| 412 | M | 95.5 | Very high | 93 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 177.7 | -68.9 | -177.1 | 75.8 | 0 | 0 | 111.8 | T332 L335 I336 F380 L408 V409 L416 | T332-M412 HydrophobicContact CG2-SD 3.93Å; L335-M412 HydrophobicContact CD2-CE 4.08Å; I336-M412 HydrophobicContact CD1-CE 4.19Å; I336-M412 HydrophobicContact CD1-SD 4.24Å; I336-M412 HydrophobicContact CG1-CE 3.82Å; F380-M412 HydrophobicContact CD1-CE 4.4Å; F380-M412 HydrophobicContact CD1-CG 3.88Å; F380-M412 HydrophobicContact CE1-CB 4.49Å; F380-M412 HydrophobicContact CE1-CG 3.88Å; F380-M412 HydrophobicContact CG-CE 4.3Å; L408-M412 HydrophobicContact CD1-CG 4.39Å; L408-M412 HydrophobicContact CD1-SD 4.13Å; L408-M412 HydrophobicContact CG-SD 4.4Å; L408-M412 WeakPolarHBondContact O-CG 3.47Å; L408-M412 PolarHBondContact O-N 3.31Å; V409-M412 PolarHBondContact O-N 3.39Å; M412-L416 WeakPolarHBondContact O-CB 3.46Å; M412-L416 PolarHBondContact O-N 3.09Å |
| 413 | T | 93.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 59.2 Ų | 59.2 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67 | -47.9 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | V409 S410 F411 Y415 L416 V417 | V409-T413 VanDerWaalsContact O-CB 3.31Å; V409-T413 WeakPolarHBondContact O-CB 3.39Å; V409-T413 PolarHBondContact O-N 3.12Å; V409-T413 PolarHBondContact O-OG1 3.27Å; S410-T413 PolarHBondContact O-N 3.4Å; F411-T413 VanDerWaalsContact C-N 3.33Å; F411-T413 PolarHBondContact O-N 2.76Å; T413-Y415 PolarHBondContact O-N 3.33Å; T413-L416 PolarHBondContact O-N 2.97Å; T413-V417 HydrophobicContact CG2-CG2 4.39Å; T413-V417 WeakPolarHBondContact O-CG2 3.19Å; T413-V417 PolarHBondContact O-N 2.83Å |
| 414 | L | 94.5 | Very high | 92.4 | Very high | 123 Ų | 123 | 61.9 Ų | 61.9 | 64% | 0.644 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 175.9 | -73 | 170.7 | 0 | 0 | 0 | 111.4 | S410 F411 L416 N418 | S410-L414 WeakPolarHBondContact O-CB 3.4Å; S410-L414 VanDerWaalsContact O-CG 3.25Å; S410-L414 WeakPolarHBondContact O-CG 3.44Å; S410-L414 PolarHBondContact O-N 3.2Å; F411-L414 PolarHBondContact O-N 3.28Å; L414-L416 VanDerWaalsContact C-N 3.33Å; L414-L416 PolarHBondContact O-N 3.27Å; L414-N418 WeakPolarHBondContact O-CB 3.23Å; L414-N418 PolarHBondContact O-N 3.22Å |
| 415 | Y | 94.4 | Very high | 92.1 | Very high | 40 Ų | 40 | 62 Ų | 62 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 174.1 | 179.1 | -81.2 | 0 | 0 | 0 | 111.3 | F380 F411 T413 A423 R428 | F380-Y415 HydrophobicContact CE1-CD1 4.45Å; F380-Y415 HydrophobicContact CE1-CG 4.23Å; F380-Y415 HydrophobicContact CE2-CD1 4.35Å; F380-Y415 HydrophobicContact CE2-CE1 4.28Å; F380-Y415 AromaticContact CZ-CD1 3.55Å; F380-Y415 HydrophobicContact CZ-CD1 3.55Å; F380-Y415 HydrophobicContact CZ-CD2 4.23Å; F380-Y415 AromaticContact CZ-CE1 3.85Å; F380-Y415 HydrophobicContact CZ-CE1 3.85Å; F380-Y415 HydrophobicContact CZ-CE2 4.49Å; F380-Y415 AromaticContact CZ-CG 3.75Å; F380-Y415 HydrophobicContact CZ-CG 3.75Å; F411-Y415 VanDerWaalsContact O-CB 3.32Å; F411-Y415 WeakPolarHBondContact O-CB 3.35Å; F411-Y415 PolarHBondContact O-N 3.33Å; T413-Y415 PolarHBondContact O-N 3.33Å; Y415-A423 HydrophobicContact CE2-CB 3.64Å; Y415-R428 WeakPolarHBondContact O-CD 3.43Å; Y415-R428 PolarHBondContact O-NE 3.35Å |
| 416 | L | 93.2 | Very high | 91.9 | Very high | 54 Ų | 54 | 67.6 Ų | 67.6 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65 | -50.8 | -177.7 | 178 | 59 | 0 | 0 | 0 | 112.3 | M412 T413 L414 L431 L432 | M412-L416 WeakPolarHBondContact O-CB 3.46Å; M412-L416 PolarHBondContact O-N 3.09Å; T413-L416 PolarHBondContact O-N 2.97Å; L414-L416 VanDerWaalsContact C-N 3.33Å; L414-L416 PolarHBondContact O-N 3.27Å; L416-L431 HydrophobicContact CD1-CD2 3.99Å; L416-L432 HydrophobicContact CD1-CD2 4.35Å; L416-L432 HydrophobicContact CD1-CG 4.26Å; L416-L432 HydrophobicContact CD2-CD2 4.32Å; L416-L432 HydrophobicContact CG-CD2 4.08Å; L416-L432 HydrophobicContact CG-CG 4.42Å |
| 417 | V | 93.3 | Very high | 91.6 | Very high | 92 Ų | 92 | 67.4 Ų | 67.4 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -75.9 | -23.9 | -172.8 | 177.8 | 0 | 0 | 0 | 0 | 112.8 | T413 | T413-V417 HydrophobicContact CG2-CG2 4.39Å; T413-V417 WeakPolarHBondContact O-CG2 3.19Å; T413-V417 PolarHBondContact O-N 2.83Å |
| 418 | N | 91.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 63.4 Ų | 63.4 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | trans | -40.2 | 118.7 | 179.7 | 172 | 10.2 | 0 | 0 | 0 | 113.6 | L414 F420 F422 R428 | L414-N418 WeakPolarHBondContact O-CB 3.23Å; L414-N418 PolarHBondContact O-N 3.22Å; N418-F420 VanDerWaalsContact OD1-CB 3.28Å; N418-F420 WeakPolarHBondContact OD1-CB 3.32Å; N418-F420 VanDerWaalsContact OD1-CD2 3.23Å; N418-F420 WeakPolarHBondContact OD1-CD2 3.44Å; N418-F420 PolarHBondContact OD1-N 2.72Å; N418-F422 WeakPolarHBondContact ND2-CE1 3.22Å; N418-F422 WeakPolarHBondContact ND2-CE2 3.3Å; N418-F422 WeakPolarHBondContact ND2-CZ 3.3Å; N418-R428 PolarHBondContact ND2-NH2 3.01Å; N418-R428 PolarHBondContact O-NE 3.48Å; N418-R428 PolarHBondContact O-NH2 3.14Å | ||
| 419 | P | 88.7 | Confident | 91.2 | Very high | 94 Ų | 94 | 67.9 Ų | 67.9 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | trans | -81.9 | -21.6 | -179.5 | 32.7 | -35.7 | 0 | 0 | 0 | 113.9 | R429 | P419-R429 PolarHBondContact O-NH1 3.43Š| ||
| 420 | F | 89.1 | Confident | 91 | Very high | 141 Ų | 141 | 69.8 Ų | 69.8 | 62% | 0.618 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -63.2 | 161 | -173.8 | -60.4 | -65.4 | 0 | 0 | 0 | 112.5 | N418 F422 S425 R428 | N418-F420 VanDerWaalsContact OD1-CB 3.28Å; N418-F420 WeakPolarHBondContact OD1-CB 3.32Å; N418-F420 VanDerWaalsContact OD1-CD2 3.23Å; N418-F420 WeakPolarHBondContact OD1-CD2 3.44Å; N418-F420 PolarHBondContact OD1-N 2.72Å; F420-F422 VanDerWaalsContact C-N 3.28Å; F420-F422 HydrophobicContact CB-CD1 3.6Å; F420-F422 HydrophobicContact CB-CE1 3.65Å; F420-F422 AromaticContact CD2-CE1 3.9Å; F420-F422 HydrophobicContact CD2-CE1 3.9Å; F420-F422 HydrophobicContact CG-CD1 4.49Å; F420-F422 HydrophobicContact CG-CE1 4.13Å; F420-F422 PolarHBondContact O-N 3Å; F420-S425 WeakPolarHBondContact O-CB 3.39Å; F420-R428 PolarHBondContact O-NH2 3.38Å; F420-R428 VanDerWaalsContact O-NH2 3.11Å |
| 421 | S | 84.4 | Confident | 90.9 | Very high | 107 Ų | 107 | 69.9 Ų | 69.9 | 75% | 0.748 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -63.8 | -27.4 | -172.8 | 52.1 | 0 | 0 | 0 | 0 | 114.5 | S425 | S421-S425 WeakPolarHBondContact CA-OG 3.5Å; S421-S425 VanDerWaalsContact O-CB 3.31Å; S421-S425 WeakPolarHBondContact O-CB 3.37Å; S421-S425 PolarHBondContact O-OG 2.74Å |
| 422 | F | 85.8 | Confident | 90.8 | Very high | 123 Ų | 123 | 69.2 Ų | 69.2 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 162 | -173.3 | 71.6 | -96 | 0 | 0 | 0 | 114.7 | N418 F420 R428 | N418-F422 WeakPolarHBondContact ND2-CE1 3.22Å; N418-F422 WeakPolarHBondContact ND2-CE2 3.3Å; N418-F422 WeakPolarHBondContact ND2-CZ 3.3Å; F420-F422 VanDerWaalsContact C-N 3.28Å; F420-F422 HydrophobicContact CB-CD1 3.6Å; F420-F422 HydrophobicContact CB-CE1 3.65Å; F420-F422 AromaticContact CD2-CE1 3.9Å; F420-F422 HydrophobicContact CD2-CE1 3.9Å; F420-F422 HydrophobicContact CG-CD1 4.49Å; F420-F422 HydrophobicContact CG-CE1 4.13Å; F420-F422 PolarHBondContact O-N 3Å; F422-R428 PolarHBondContact O-NH1 2.83Å; F422-R428 PolarHBondContact O-NH2 3.03Å |
| 423 | A | 84.9 | Confident | 90.6 | Very high | 35 Ų | 35 | 75.2 Ų | 75.2 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 62.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y415 S425 R428 | Y415-A423 HydrophobicContact CE2-CB 3.64Å; A423-S425 VanDerWaalsContact C-N 3.31Å; A423-S425 PolarHBondContact O-N 3.21Å; A423-R428 PolarHBondContact O-NH1 2.9Å |
| 424 | H | 87.3 | Confident | 90.5 | Very high | 69 Ų | 69 | 71.9 Ų | 71.9 | 32% | 0.319 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 37.1 | 173.2 | -52.8 | -89.5 | 0 | 0 | 0 | 114.7 | L368 Q372 K426 A427 R428 | L368-H424 HydrophobicContact CD2-CB 3.96Å; L368-H424 WeakPolarHBondContact CD2-ND1 3.44Å; Q372-H424 PolarHBondContact OE1-CE1 2.88Å; H424-K426 PolarHBondContact O-N 3.37Å; H424-A427 HydrophobicContact CB-CB 4.45Å; H424-A427 WeakPolarHBondContact O-CB 3.44Å; H424-A427 PolarHBondContact O-N 3.3Å; H424-R428 PolarHBondContact O-N 3.49Å |
| 425 | S | 88.8 | Confident | 90.5 | Very high | 10 Ų | 10 | 68.2 Ų | 68.2 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -53 | -24.9 | -176 | 66.9 | 0 | 0 | 0 | 0 | 115.9 | F420 S421 A423 R429 | F420-S425 WeakPolarHBondContact O-CB 3.39Å; S421-S425 WeakPolarHBondContact CA-OG 3.5Å; S421-S425 VanDerWaalsContact O-CB 3.31Å; S421-S425 WeakPolarHBondContact O-CB 3.37Å; S421-S425 PolarHBondContact O-OG 2.74Å; A423-S425 VanDerWaalsContact C-N 3.31Å; A423-S425 PolarHBondContact O-N 3.21Å; S425-R429 VanDerWaalsContact C-NH2 3.27Å; S425-R429 WeakPolarHBondContact O-CB 3.39Å; S425-R429 WeakPolarHBondContact O-CG 3.43Å; S425-R429 VanDerWaalsContact O-CZ 3.26Å; S425-R429 PolarHBondContact O-N 3.32Å; S425-R429 VanDerWaalsContact O-N 3.07Å; S425-R429 PolarHBondContact O-NE 3.05Å; S425-R429 PolarHBondContact O-NH2 3.48Å; S425-R429 PolarHBondContact OG-NH2 3.48Å |
| 426 | K | 88.9 | Confident | 90.4 | Very high | 119 Ų | 119 | 67.7 Ų | 67.7 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 170 | -75.7 | -172.6 | 170.2 | -169.8 | 0 | 112.2 | T366 H424 R429 W430 | T366-K426 VanDerWaalsContact CB-NZ 3.32Å; T366-K426 PolarHBondContact OG1-NZ 3.37Å; T366-K426 VanDerWaalsContact OG1-NZ 3.09Å; H424-K426 PolarHBondContact O-N 3.37Å; K426-R429 PolarHBondContact O-N 3.34Å; K426-W430 PolarHBondContact O-N 2.62Å |
| 427 | A | 90.2 | Very high | 90.4 | Very high | 31 Ų | 31 | 67.8 Ų | 67.8 | 26% | 0.256 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L368 H424 R429 W430 L431 | L368-A427 HydrophobicContact CD1-CB 3.61Å; L368-A427 HydrophobicContact CD2-CB 4.43Å; L368-A427 HydrophobicContact CG-CB 3.87Å; H424-A427 HydrophobicContact CB-CB 4.45Å; H424-A427 WeakPolarHBondContact O-CB 3.44Å; H424-A427 PolarHBondContact O-N 3.3Å; A427-R429 PolarHBondContact O-N 2.94Å; A427-W430 WeakPolarHBondContact O-CB 3.35Å; A427-W430 PolarHBondContact O-N 2.66Å; A427-W430 VanDerWaalsContact O-N 3.16Å; A427-L431 PolarHBondContact O-N 3.45Å |
| 428 | R | 92.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 5% | 0.045 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 173.7 | -57.2 | -160.3 | -54.3 | -106.4 | -5.8 | 112.3 | Y415 N418 F420 F422 A423 H424 W430 L431 L432 | Y415-R428 WeakPolarHBondContact O-CD 3.43Å; Y415-R428 PolarHBondContact O-NE 3.35Å; N418-R428 PolarHBondContact ND2-NH2 3.01Å; N418-R428 PolarHBondContact O-NE 3.48Å; N418-R428 PolarHBondContact O-NH2 3.14Å; F420-R428 PolarHBondContact O-NH2 3.38Å; F420-R428 VanDerWaalsContact O-NH2 3.11Å; F422-R428 PolarHBondContact O-NH1 2.83Å; F422-R428 PolarHBondContact O-NH2 3.03Å; A423-R428 PolarHBondContact O-NH1 2.9Å; H424-R428 PolarHBondContact O-N 3.49Å; R428-W430 VanDerWaalsContact C-N 3.29Å; R428-W430 PolarHBondContact O-N 3.36Å; R428-L431 PolarHBondContact O-N 2.81Å; R428-L432 WeakPolarHBondContact O-CB 3.42Å; R428-L432 WeakPolarHBondContact O-CG 3.41Å; R428-L432 PolarHBondContact O-N 3.15Å |
| 429 | R | 91.1 | Very high | 90.3 | Very high | 98 Ų | 98 | 68 Ų | 68 | 37% | 0.37 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.5 | -25.1 | 176.2 | -73.5 | -175.3 | -64.7 | -95.1 | -10.2 | 113.6 | P419 S425 K426 A427 R433 | P419-R429 PolarHBondContact O-NH1 3.43Å; S425-R429 VanDerWaalsContact C-NH2 3.27Å; S425-R429 WeakPolarHBondContact O-CB 3.39Å; S425-R429 WeakPolarHBondContact O-CG 3.43Å; S425-R429 VanDerWaalsContact O-CZ 3.26Å; S425-R429 PolarHBondContact O-N 3.32Å; S425-R429 VanDerWaalsContact O-N 3.07Å; S425-R429 PolarHBondContact O-NE 3.05Å; S425-R429 PolarHBondContact O-NH2 3.48Å; S425-R429 PolarHBondContact OG-NH2 3.48Å; K426-R429 PolarHBondContact O-N 3.34Å; A427-R429 PolarHBondContact O-N 2.94Å; R429-R433 VanDerWaalsContact O-CB 3.24Å; R429-R433 WeakPolarHBondContact O-CB 3.42Å; R429-R433 PolarHBondContact O-N 2.77Å |
| 430 | W | 91.1 | Very high | 90.4 | Very high | 73 Ų | 73 | 69.2 Ų | 69.2 | 28% | 0.277 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.1 | -52.3 | 169.5 | 178.1 | 97.3 | 0 | 0 | 0 | 110.3 | L362 K426 A427 R428 L432 R433 V434 A449 | L362-W430 HydrophobicContact CD2-CD2 4.37Å; L362-W430 HydrophobicContact CD2-CZ2 3.96Å; K426-W430 PolarHBondContact O-N 2.62Å; A427-W430 WeakPolarHBondContact O-CB 3.35Å; A427-W430 PolarHBondContact O-N 2.66Å; A427-W430 VanDerWaalsContact O-N 3.16Å; R428-W430 VanDerWaalsContact C-N 3.29Å; R428-W430 PolarHBondContact O-N 3.36Å; W430-L432 PolarHBondContact O-N 3.38Å; W430-R433 WeakPolarHBondContact O-CA 3.41Å; W430-R433 WeakPolarHBondContact O-CB 3.38Å; W430-R433 PolarHBondContact O-N 2.91Å; W430-V434 HydrophobicContact CD2-CG2 4.08Å; W430-V434 HydrophobicContact CE3-CG2 4.38Å; W430-V434 HydrophobicContact CH2-CG2 4.32Å; W430-V434 HydrophobicContact CZ2-CG2 4.03Å; W430-V434 HydrophobicContact CZ3-CG2 4.48Å; W430-V434 WeakPolarHBondContact O-CG2 3.41Å; W430-V434 PolarHBondContact O-N 3.47Å; W430-A449 HydrophobicContact CZ2-CB 3.97Å |
| 431 | L | 92.6 | Very high | 90 | Very high | 53 Ų | 53 | 62.6 Ų | 62.6 | 28% | 0.277 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.3 | -49.8 | -179.3 | 178.8 | 58.8 | 0 | 0 | 0 | 111.9 | L416 A427 R428 R433 V434 L435 L453 | L416-L431 HydrophobicContact CD1-CD2 3.99Å; A427-L431 PolarHBondContact O-N 3.45Å; R428-L431 PolarHBondContact O-N 2.81Å; L431-R433 VanDerWaalsContact C-N 3.26Å; L431-R433 PolarHBondContact O-N 3.27Å; L431-V434 PolarHBondContact O-N 2.92Å; L431-V434 VanDerWaalsContact O-N 3.15Å; L431-L435 HydrophobicContact CD1-CD1 4.11Å; L431-L435 HydrophobicContact CD1-CG 4.16Å; L431-L435 HydrophobicContact CG-CD1 3.99Å; L431-L435 HydrophobicContact CG-CG 4.47Å; L431-L435 WeakPolarHBondContact O-CB 3.44Å; L431-L435 WeakPolarHBondContact O-CG 3.22Å; L431-L435 PolarHBondContact O-N 2.8Å; L431-L453 HydrophobicContact CD1-CD2 3.74Å |
| 432 | L | 93.7 | Very high | 89.8 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 34% | 0.335 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.8 | -35.4 | 175.3 | -72.4 | 170.8 | 0 | 0 | 0 | 112.7 | L416 R428 W430 G436 | L416-L432 HydrophobicContact CD1-CD2 4.35Å; L416-L432 HydrophobicContact CD1-CG 4.26Å; L416-L432 HydrophobicContact CD2-CD2 4.32Å; L416-L432 HydrophobicContact CG-CD2 4.08Å; L416-L432 HydrophobicContact CG-CG 4.42Å; R428-L432 WeakPolarHBondContact O-CB 3.42Å; R428-L432 WeakPolarHBondContact O-CG 3.41Å; R428-L432 PolarHBondContact O-N 3.15Å; W430-L432 PolarHBondContact O-N 3.38Å; L432-G436 PolarHBondContact O-N 3.05Å |
| 433 | R | 92.8 | Very high | 89.8 | Confident | 147 Ų | 147 | 61.8 Ų | 61.8 | 56% | 0.555 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70.3 | -38.7 | 176.5 | -173.1 | -169.9 | -58.1 | 119.6 | 0 | 112.1 | R429 W430 L431 R437 | R429-R433 VanDerWaalsContact O-CB 3.24Å; R429-R433 WeakPolarHBondContact O-CB 3.42Å; R429-R433 PolarHBondContact O-N 2.77Å; W430-R433 WeakPolarHBondContact O-CA 3.41Å; W430-R433 WeakPolarHBondContact O-CB 3.38Å; W430-R433 PolarHBondContact O-N 2.91Å; L431-R433 VanDerWaalsContact C-N 3.26Å; L431-R433 PolarHBondContact O-N 3.27Å; R433-R437 WeakPolarHBondContact O-CG 3.48Å; R433-R437 PolarHBondContact O-N 3.33Å |
| 434 | V | 91.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.6 | -46.1 | 177.1 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | W430 L431 G436 R437 I438 D450 L453 | W430-V434 HydrophobicContact CD2-CG2 4.08Å; W430-V434 HydrophobicContact CE3-CG2 4.38Å; W430-V434 HydrophobicContact CH2-CG2 4.32Å; W430-V434 HydrophobicContact CZ2-CG2 4.03Å; W430-V434 HydrophobicContact CZ3-CG2 4.48Å; W430-V434 WeakPolarHBondContact O-CG2 3.41Å; W430-V434 PolarHBondContact O-N 3.47Å; L431-V434 PolarHBondContact O-N 2.92Å; L431-V434 VanDerWaalsContact O-N 3.15Å; V434-G436 VanDerWaalsContact C-N 3.31Å; V434-G436 PolarHBondContact O-N 3.45Å; V434-R437 CarbonylContact O-C 3.56Å; V434-R437 WeakPolarHBondContact O-CA 3.31Å; V434-R437 WeakPolarHBondContact O-CB 3.26Å; V434-R437 PolarHBondContact O-N 2.94Å; V434-I438 HydrophobicContact CG1-CD1 4.27Å; V434-I438 WeakPolarHBondContact O-CG1 3.25Å; V434-I438 PolarHBondContact O-N 3.5Å; V434-D450 HydrophobicContact CG1-CB 4.42Å; V434-L453 HydrophobicContact CB-CD2 4.01Å; V434-L453 HydrophobicContact CG1-CB 4.14Å; V434-L453 HydrophobicContact CG1-CD2 3.6Å; V434-L453 HydrophobicContact CG1-CG 4.49Å |
| 435 | L | 93.1 | Very high | 89.5 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.1 | -46.1 | 172.2 | -69 | 171.4 | 0 | 0 | 0 | 111.5 | L431 R437 I438 I439 L453 L457 | L431-L435 HydrophobicContact CD1-CD1 4.11Å; L431-L435 HydrophobicContact CD1-CG 4.16Å; L431-L435 HydrophobicContact CG-CD1 3.99Å; L431-L435 HydrophobicContact CG-CG 4.47Å; L431-L435 WeakPolarHBondContact O-CB 3.44Å; L431-L435 WeakPolarHBondContact O-CG 3.22Å; L431-L435 PolarHBondContact O-N 2.8Å; L435-R437 VanDerWaalsContact C-N 3.27Å; L435-R437 PolarHBondContact O-N 3.43Å; L435-I438 PolarHBondContact O-N 3.16Å; L435-I438 VanDerWaalsContact O-N 3.15Å; L435-I439 PolarHBondContact O-N 3.31Å; L435-I439 VanDerWaalsContact O-N 3.1Å; L435-L453 HydrophobicContact CD2-CD2 3.91Å; L435-L453 HydrophobicContact CG-CD2 4.17Å; L435-L457 HydrophobicContact CD2-CD1 4.16Å |
| 436 | G | 93 | Very high | 89.3 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.1 | -24.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L432 V434 R440 | L432-G436 PolarHBondContact O-N 3.05Å; V434-G436 VanDerWaalsContact C-N 3.31Å; V434-G436 PolarHBondContact O-N 3.45Å; G436-R440 WeakPolarHBondContact O-CD 3.38Å; G436-R440 WeakPolarHBondContact O-CG 3.28Å; G436-R440 PolarHBondContact O-NE 3.32Å |
| 437 | R | 92.9 | Very high | 89.1 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -77.4 | -34.9 | 171.2 | -79.2 | 172.6 | 80.6 | -161.6 | 11.2 | 112.5 | R433 V434 L435 R440 A441 K445 S447 D450 | R433-R437 WeakPolarHBondContact O-CG 3.48Å; R433-R437 PolarHBondContact O-N 3.33Å; V434-R437 CarbonylContact O-C 3.56Å; V434-R437 WeakPolarHBondContact O-CA 3.31Å; V434-R437 WeakPolarHBondContact O-CB 3.26Å; V434-R437 PolarHBondContact O-N 2.94Å; L435-R437 VanDerWaalsContact C-N 3.27Å; L435-R437 PolarHBondContact O-N 3.43Å; R437-R440 CarbonylContact O-C 3.19Å; R437-A441 WeakPolarHBondContact O-CA 3.27Å; R437-A441 PolarHBondContact O-N 2.93Å; R437-A441 VanDerWaalsContact O-N 3.09Å; R437-K445 PolarHBondContact NH2-O 2.84Å; R437-S447 VanDerWaalsContact CZ-OG 3.27Å; R437-S447 PolarHBondContact NH1-OG 3.43Å; R437-S447 PolarHBondContact NH2-OG 3.17Å; R437-D450 WeakPolarHBondContact CB-OD1 3.37Å; R437-D450 VanDerWaalsContact CD-OD1 3.29Å; R437-D450 WeakPolarHBondContact CD-OD1 3.5Å; R437-D450 IonicContact CZ-OD1 3.84Å; R437-D450 IonicContact CZ-OD2 2.68Å; R437-D450 IonicContact NE-OD1 3.43Å; R437-D450 PolarHBondContact NE-OD1 3.06Å; R437-D450 IonicContact NE-OD2 2.85Å; R437-D450 PolarHBondContact NE-OD2 2.86Å; R437-D450 VanDerWaalsContact NH1-CG 3.29Å; R437-D450 IonicContact NH1-OD1 2.68Å; R437-D450 PolarHBondContact NH1-OD1 2.84Å; R437-D450 IonicContact NH1-OD2 3.91Å; R437-D450 PolarHBondContact NH1-OD2 2.74Å; R437-D450 IonicContact NH2-OD1 3.64Å; R437-D450 IonicContact NH2-OD2 2.96Å; R437-D450 PolarHBondContact NH2-OD2 3.46Å |
| 438 | I | 93.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -49.6 | 176.6 | -65.1 | 166.7 | 0 | 0 | 0 | 110.1 | V434 L435 R440 A441 D450 L453 A454 L457 F549 | V434-I438 HydrophobicContact CG1-CD1 4.27Å; V434-I438 WeakPolarHBondContact O-CG1 3.25Å; V434-I438 PolarHBondContact O-N 3.5Å; L435-I438 PolarHBondContact O-N 3.16Å; L435-I438 VanDerWaalsContact O-N 3.15Å; I438-R440 VanDerWaalsContact C-N 3.3Å; I438-R440 PolarHBondContact O-N 3.32Å; I438-A441 WeakPolarHBondContact O-CB 3.42Å; I438-A441 PolarHBondContact O-N 3.42Å; I438-A441 VanDerWaalsContact O-N 3.12Å; I438-D450 HydrophobicContact CG1-CB 4.39Å; I438-L453 HydrophobicContact CD1-CB 3.96Å; I438-L453 HydrophobicContact CD1-CD2 3.93Å; I438-L453 HydrophobicContact CD1-CG 3.87Å; I438-A454 HydrophobicContact CD1-CB 3.98Å; I438-A454 HydrophobicContact CG1-CB 4.11Å; I438-A454 HydrophobicContact CG2-CB 3.94Å; I438-L457 HydrophobicContact CD1-CD1 4.11Å; I438-L457 HydrophobicContact CG2-CD1 4.29Å; I438-F549 HydrophobicContact CG2-CB 3.71Å; I438-F549 HydrophobicContact CG2-CD2 3.76Å; I438-F549 HydrophobicContact CG2-CG 3.82Å |
| 439 | I | 90.4 | Very high | 88.7 | Confident | 114 Ų | 114 | 58.7 Ų | 58.7 | 59% | 0.585 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.7 | -41.1 | 179.9 | -64.4 | 166.7 | 0 | 0 | 0 | 111.4 | L435 F549 | L435-I439 PolarHBondContact O-N 3.31Å; L435-I439 VanDerWaalsContact O-N 3.1Å; I439-F549 HydrophobicContact CG1-CE1 4.44Å; I439-F549 HydrophobicContact CG1-CE2 4.45Å; I439-F549 HydrophobicContact CG1-CZ 3.99Å |
| 440 | R | 90 | Very high | 88.7 | Confident | 121 Ų | 121 | 54.1 Ų | 54.1 | 46% | 0.457 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 21.9 | 178.4 | 78.6 | -158.4 | 171.5 | 84.6 | -5.3 | 114.4 | G436 R437 I438 P442 F443 A444 | G436-R440 WeakPolarHBondContact O-CD 3.38Å; G436-R440 WeakPolarHBondContact O-CG 3.28Å; G436-R440 PolarHBondContact O-NE 3.32Å; R437-R440 CarbonylContact O-C 3.19Å; I438-R440 VanDerWaalsContact C-N 3.3Å; I438-R440 PolarHBondContact O-N 3.32Å; R440-P442 VanDerWaalsContact C-N 3.34Å; R440-P442 VanDerWaalsContact O-N 3.16Å; R440-F443 PolarHBondContact O-N 3.45Å; R440-A444 HydrophobicContact CG-CB 4.22Å; R440-A444 PolarHBondContact O-N 3.26Å |
| 441 | A | 81 | Confident | 88.7 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -49.6 | -38 | -175 | 0 | 0 | 0 | 0 | 0 | 116.1 | R437 I438 F443 A444 Q553 | R437-A441 WeakPolarHBondContact O-CA 3.27Å; R437-A441 PolarHBondContact O-N 2.93Å; R437-A441 VanDerWaalsContact O-N 3.09Å; I438-A441 WeakPolarHBondContact O-CB 3.42Å; I438-A441 PolarHBondContact O-N 3.42Å; I438-A441 VanDerWaalsContact O-N 3.12Å; A441-F443 PolarHBondContact O-N 3.21Å; A441-F443 VanDerWaalsContact O-N 3.07Å; A441-A444 PolarHBondContact O-N 2.96Å; A441-Q553 HydrophobicContact CB-CG 3.51Å |
| 442 | P | 80.6 | Confident | 88.7 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 29% | 0.292 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -56.2 | -26.6 | 175.4 | -25.4 | 33.4 | 0 | 0 | 0 | 114.4 | R440 A552 R556 R559 | R440-P442 VanDerWaalsContact C-N 3.34Å; R440-P442 VanDerWaalsContact O-N 3.16Å; P442-A552 HydrophobicContact CG-CB 4.09Å; P442-R556 WeakPolarHBondContact O-CD 3.37Å; P442-R556 PolarHBondContact O-NH1 3.45Å; P442-R559 PolarHBondContact O-NH2 3.33Å |
| 443 | F | 85.5 | Confident | 88.7 | Confident | 169 Ų | 169 | 47 Ų | 47 | 74% | 0.741 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -111.9 | 4.1 | -171.1 | -48.6 | -70.9 | 0 | 0 | 0 | 113.6 | R440 A441 | R440-F443 PolarHBondContact O-N 3.45Å; A441-F443 PolarHBondContact O-N 3.21Å; A441-F443 VanDerWaalsContact O-N 3.07Å |
| 444 | A | 81.4 | Confident | 88.8 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -124.4 | 145.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R440 A441 V446 R556 | R440-A444 HydrophobicContact CG-CB 4.22Å; R440-A444 PolarHBondContact O-N 3.26Å; A441-A444 PolarHBondContact O-N 2.96Å; A444-V446 PolarHBondContact O-N 3.01Å; A444-R556 WeakPolarHBondContact O-CG 3.34Å |
| 445 | K | 84.3 | Confident | 88.8 | Confident | 151 Ų | 151 | 40 Ų | 40 | 66% | 0.657 | 20% | 0.195 | S | C | * | . | trans | -64.9 | 124.1 | 163.3 | -168.8 | -161 | 175.8 | -160.1 | 0 | 108.6 | R437 | R437-K445 PolarHBondContact NH2-O 2.84Š| ||
| 446 | V | 85.4 | Confident | 88.9 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | trans | -83.1 | 130.7 | 175.6 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | A444 D450 F451 Q553 R556 R557 | A444-V446 PolarHBondContact O-N 3.01Å; V446-D450 HydrophobicContact CG1-CB 4.18Å; V446-F451 HydrophobicContact CG1-CB 4.34Å; V446-Q553 HydrophobicContact CG1-CB 4.37Å; V446-Q553 HydrophobicContact CG1-CG 4.22Å; V446-Q553 HydrophobicContact CG2-CB 4.17Å; V446-Q553 HydrophobicContact CG2-CG 4.03Å; V446-R556 HydrophobicContact CG2-CB 4.4Å; V446-R556 HydrophobicContact CG2-CG 4.14Å; V446-R557 HydrophobicContact CB-CG 3.86Å; V446-R557 HydrophobicContact CG1-CG 4.33Å; V446-R557 HydrophobicContact CG2-CG 4.24Å | ||
| 447 | S | 83.7 | Confident | 89 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | trans | -111.7 | 171.5 | 170.3 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | R437 A449 D450 F451 | R437-S447 VanDerWaalsContact CZ-OG 3.27Å; R437-S447 PolarHBondContact NH1-OG 3.43Å; R437-S447 PolarHBondContact NH2-OG 3.17Å; S447-A449 VanDerWaalsContact C-N 3.32Å; S447-A449 PolarHBondContact O-N 3.47Å; S447-D450 PolarHBondContact N-OD2 2.84Å; S447-D450 PolarHBondContact O-N 2.93Å; S447-D450 VanDerWaalsContact O-N 3.16Å; S447-D450 PolarHBondContact OG-OD2 2.97Å; S447-F451 PolarHBondContact O-N 3.5Å | ||
| 448 | F | 86.6 | Confident | 89.1 | Confident | 22 Ų | 22 | 36 Ų | 36 | 10% | 0.096 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.8 | -43.8 | -176.4 | -178 | -96.6 | 0 | 0 | 0 | 112.5 | I359 F360 D450 F451 W452 L696 E699 | I359-F448 HydrophobicContact CG2-CD1 3.68Å; I359-F448 HydrophobicContact CG2-CE1 3.41Å; I359-F448 VanDerWaalsContact CG2-CE1 3.41Å; I359-F448 HydrophobicContact CG2-CZ 4.09Å; I359-F448 WeakPolarHBondContact O-CD1 3.23Å; F360-F448 AromaticContact CD1-CD1 3.99Å; F360-F448 HydrophobicContact CD1-CD1 3.99Å; F360-F448 HydrophobicContact CD1-CE1 4.06Å; F360-F448 HydrophobicContact CE1-CD1 4.04Å; F360-F448 AromaticContact CE1-CE1 3.67Å; F360-F448 HydrophobicContact CE1-CE1 3.67Å; F360-F448 HydrophobicContact CZ-CE1 4.42Å; F448-D450 VanDerWaalsContact C-N 3.32Å; F448-D450 PolarHBondContact O-N 3.38Å; F448-F451 WeakPolarHBondContact O-CB 3.48Å; F448-F451 PolarHBondContact O-N 3.06Å; F448-F451 VanDerWaalsContact O-N 3.11Å; F448-W452 HydrophobicContact CD1-CB 4.4Å; F448-W452 HydrophobicContact CE1-CB 3.93Å; F448-W452 HydrophobicContact CE1-CG 4.31Å; F448-W452 HydrophobicContact CZ-CB 4.14Å; F448-W452 WeakPolarHBondContact O-CB 3.46Å; F448-W452 PolarHBondContact O-N 2.93Å; F448-L696 HydrophobicContact CE1-CD1 4.25Å; F448-L696 HydrophobicContact CZ-CD1 4.19Å; F448-E699 HydrophobicContact CD2-CG 4.07Å; F448-E699 HydrophobicContact CE1-CG 4.41Å; F448-E699 HydrophobicContact CE2-CB 4.39Å; F448-E699 HydrophobicContact CE2-CG 3.6Å; F448-E699 VanDerWaalsContact CE2-OE2 3.26Å; F448-E699 WeakPolarHBondContact CE2-OE2 3.25Å; F448-E699 HydrophobicContact CZ-CB 4.31Å; F448-E699 HydrophobicContact CZ-CG 3.79Å |
| 449 | A | 89 | Confident | 89.1 | Confident | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -36 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | F360 W430 S447 L453 | F360-A449 HydrophobicContact CD1-CB 4.3Å; W430-A449 HydrophobicContact CZ2-CB 3.97Å; S447-A449 VanDerWaalsContact C-N 3.32Å; S447-A449 PolarHBondContact O-N 3.47Å; A449-L453 VanDerWaalsContact O-CB 3.27Å; A449-L453 WeakPolarHBondContact O-CB 3.42Å; A449-L453 PolarHBondContact O-N 2.82Å |
| 450 | D | 90.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.011 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.6 | -34.1 | 177.2 | -38.8 | -62.1 | 0 | 0 | 0 | 111.5 | V434 R437 I438 V446 S447 F448 A454 Q553 | V434-D450 HydrophobicContact CG1-CB 4.42Å; R437-D450 WeakPolarHBondContact CB-OD1 3.37Å; R437-D450 VanDerWaalsContact CD-OD1 3.29Å; R437-D450 WeakPolarHBondContact CD-OD1 3.5Å; R437-D450 IonicContact CZ-OD1 3.84Å; R437-D450 IonicContact CZ-OD2 2.68Å; R437-D450 IonicContact NE-OD1 3.43Å; R437-D450 PolarHBondContact NE-OD1 3.06Å; R437-D450 IonicContact NE-OD2 2.85Å; R437-D450 PolarHBondContact NE-OD2 2.86Å; R437-D450 VanDerWaalsContact NH1-CG 3.29Å; R437-D450 IonicContact NH1-OD1 2.68Å; R437-D450 PolarHBondContact NH1-OD1 2.84Å; R437-D450 IonicContact NH1-OD2 3.91Å; R437-D450 PolarHBondContact NH1-OD2 2.74Å; R437-D450 IonicContact NH2-OD1 3.64Å; R437-D450 IonicContact NH2-OD2 2.96Å; R437-D450 PolarHBondContact NH2-OD2 3.46Å; I438-D450 HydrophobicContact CG1-CB 4.39Å; V446-D450 HydrophobicContact CG1-CB 4.18Å; S447-D450 PolarHBondContact N-OD2 2.84Å; S447-D450 PolarHBondContact O-N 2.93Å; S447-D450 VanDerWaalsContact O-N 3.16Å; S447-D450 PolarHBondContact OG-OD2 2.97Å; F448-D450 VanDerWaalsContact C-N 3.32Å; F448-D450 PolarHBondContact O-N 3.38Å; D450-A454 VanDerWaalsContact O-CB 3.23Å; D450-A454 WeakPolarHBondContact O-CB 3.29Å; D450-A454 PolarHBondContact O-N 2.86Å; D450-Q553 PolarHBondContact O-NE2 3.48Å |
| 451 | F | 90 | Very high | 89.5 | Confident | 15 Ų | 15 | 26.4 Ų | 26.4 | 7% | 0.066 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.8 | -53.2 | 177.6 | -179.4 | -77.3 | 0 | 0 | 0 | 110.1 | V446 S447 F448 A454 D455 R550 N572 | V446-F451 HydrophobicContact CG1-CB 4.34Å; S447-F451 PolarHBondContact O-N 3.5Å; F448-F451 WeakPolarHBondContact O-CB 3.48Å; F448-F451 PolarHBondContact O-N 3.06Å; F448-F451 VanDerWaalsContact O-N 3.11Å; F451-A454 PolarHBondContact O-N 3.11Å; F451-D455 WeakPolarHBondContact CD1-OD2 3.49Å; F451-D455 WeakPolarHBondContact CE1-OD2 3.33Å; F451-D455 PolarHBondContact O-N 3.48Å; F451-R550 VanDerWaalsContact CG-NH1 3.32Å; F451-N572 WeakPolarHBondContact CZ-ND2 3.42Å |
| 452 | W | 93.4 | Very high | 89.9 | Confident | 10 Ų | 10 | 26.7 Ų | 26.7 | 4% | 0.038 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | -179.7 | 174 | 88.9 | 0 | 0 | 0 | 112.7 | F342 W349 F360 F448 A454 D455 Q456 N692 | F342-W452 AromaticContact CD2-CH2 3.74Å; F342-W452 HydrophobicContact CD2-CH2 3.74Å; F342-W452 HydrophobicContact CD2-CZ2 4.05Å; F342-W452 AromaticContact CE2-CH2 3.31Å; F342-W452 HydrophobicContact CE2-CH2 3.31Å; F342-W452 AromaticContact CE2-CZ2 3.72Å; F342-W452 HydrophobicContact CE2-CZ2 3.72Å; F342-W452 HydrophobicContact CE2-CZ3 4.23Å; F342-W452 HydrophobicContact CZ-CH2 4.07Å; W349-W452 HydrophobicContact CH2-CZ2 4.47Å; F360-W452 HydrophobicContact CE1-CB 4.04Å; F360-W452 AromaticContact CE1-CD2 3.48Å; F360-W452 HydrophobicContact CE1-CD2 3.48Å; F360-W452 VanDerWaalsContact CE1-CD2 3.48Å; F360-W452 AromaticContact CE1-CE3 3.63Å; F360-W452 HydrophobicContact CE1-CE3 3.63Å; F360-W452 AromaticContact CE1-CG 3.65Å; F360-W452 HydrophobicContact CE1-CG 3.65Å; F360-W452 HydrophobicContact CE1-CZ3 4.4Å; F360-W452 AromaticContact CZ-CD2 3.6Å; F360-W452 HydrophobicContact CZ-CD2 3.6Å; F360-W452 AromaticContact CZ-CE2 3.73Å; F360-W452 AromaticContact CZ-CE3 3.89Å; F360-W452 HydrophobicContact CZ-CE3 3.89Å; F360-W452 HydrophobicContact CZ-CG 4.01Å; F360-W452 HydrophobicContact CZ-CH2 4.49Å; F360-W452 HydrophobicContact CZ-CZ2 4.2Å; F360-W452 HydrophobicContact CZ-CZ3 4.33Å; F448-W452 HydrophobicContact CD1-CB 4.4Å; F448-W452 HydrophobicContact CE1-CB 3.93Å; F448-W452 HydrophobicContact CE1-CG 4.31Å; F448-W452 HydrophobicContact CZ-CB 4.14Å; F448-W452 WeakPolarHBondContact O-CB 3.46Å; F448-W452 PolarHBondContact O-N 2.93Å; W452-A454 VanDerWaalsContact C-N 3.31Å; W452-A454 PolarHBondContact O-N 3.3Å; W452-D455 WeakPolarHBondContact O-CB 3.35Å; W452-D455 PolarHBondContact O-N 3.32Å; W452-D455 VanDerWaalsContact O-N 3.14Å; W452-Q456 HydrophobicContact CD2-CG 4.24Å; W452-Q456 HydrophobicContact CE3-CG 4.2Å; W452-Q456 HydrophobicContact CH2-CG 3.69Å; W452-Q456 VanDerWaalsContact CZ2-CD 3.43Å; W452-Q456 HydrophobicContact CZ2-CG 3.76Å; W452-Q456 HydrophobicContact CZ3-CG 3.94Å; W452-Q456 VanDerWaalsContact NE1-NE2 3.19Å; W452-Q456 WeakPolarHBondContact O-CG 3.43Å; W452-Q456 PolarHBondContact O-N 2.96Å; W452-Q456 VanDerWaalsContact O-N 3.17Å; W452-Q456 PolarHBondContact O-NE2 2.87Å; W452-N692 PolarHBondContact NE1-OD1 3.29Å |
| 453 | L | 93.9 | Very high | 90.5 | Very high | 16 Ų | 16 | 26 Ų | 26 | 8% | 0.084 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.6 | -34.7 | 179.6 | -179 | 64.1 | 0 | 0 | 0 | 111.3 | L431 V434 L435 I438 A449 D455 Q456 L457 | L431-L453 HydrophobicContact CD1-CD2 3.74Å; V434-L453 HydrophobicContact CB-CD2 4.01Å; V434-L453 HydrophobicContact CG1-CB 4.14Å; V434-L453 HydrophobicContact CG1-CD2 3.6Å; V434-L453 HydrophobicContact CG1-CG 4.49Å; L435-L453 HydrophobicContact CD2-CD2 3.91Å; L435-L453 HydrophobicContact CG-CD2 4.17Å; I438-L453 HydrophobicContact CD1-CB 3.96Å; I438-L453 HydrophobicContact CD1-CD2 3.93Å; I438-L453 HydrophobicContact CD1-CG 3.87Å; A449-L453 VanDerWaalsContact O-CB 3.27Å; A449-L453 WeakPolarHBondContact O-CB 3.42Å; A449-L453 PolarHBondContact O-N 2.82Å; L453-D455 VanDerWaalsContact C-N 3.32Å; L453-D455 PolarHBondContact O-N 3.05Å; L453-Q456 HydrophobicContact CD1-CG 4.41Å; L453-Q456 WeakPolarHBondContact O-CB 3.49Å; L453-Q456 PolarHBondContact O-N 3.22Å; L453-L457 PolarHBondContact O-N 3.33Å; L453-L457 VanDerWaalsContact O-N 3.12Å |
| 454 | A | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.5 | -31.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I438 D450 F451 W452 L457 T458 R550 | I438-A454 HydrophobicContact CD1-CB 3.98Å; I438-A454 HydrophobicContact CG1-CB 4.11Å; I438-A454 HydrophobicContact CG2-CB 3.94Å; D450-A454 VanDerWaalsContact O-CB 3.23Å; D450-A454 WeakPolarHBondContact O-CB 3.29Å; D450-A454 PolarHBondContact O-N 2.86Å; F451-A454 PolarHBondContact O-N 3.11Å; W452-A454 VanDerWaalsContact C-N 3.31Å; W452-A454 PolarHBondContact O-N 3.3Å; A454-L457 WeakPolarHBondContact O-CB 3.26Å; A454-L457 PolarHBondContact O-N 3.29Å; A454-T458 PolarHBondContact O-N 3.15Å; A454-R550 HydrophobicContact CB-CG 4.25Å |
| 455 | D | 93.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.011 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 170.6 | -74.6 | -45.2 | 0 | 0 | 0 | 111.5 | F451 W452 L453 L457 T458 R550 Y576 W691 | F451-D455 WeakPolarHBondContact CD1-OD2 3.49Å; F451-D455 WeakPolarHBondContact CE1-OD2 3.33Å; F451-D455 PolarHBondContact O-N 3.48Å; W452-D455 WeakPolarHBondContact O-CB 3.35Å; W452-D455 PolarHBondContact O-N 3.32Å; W452-D455 VanDerWaalsContact O-N 3.14Å; L453-D455 VanDerWaalsContact C-N 3.32Å; L453-D455 PolarHBondContact O-N 3.05Å; D455-L457 VanDerWaalsContact C-N 3.26Å; D455-L457 PolarHBondContact O-N 3.45Å; D455-T458 PolarHBondContact O-N 2.86Å; D455-T458 VanDerWaalsContact O-N 3.07Å; D455-T458 PolarHBondContact O-OG1 2.72Å; D455-R550 IonicContact OD1-CZ 3.6Å; D455-R550 IonicContact OD1-NE 2.89Å; D455-R550 PolarHBondContact OD1-NE 3.45Å; D455-R550 IonicContact OD1-NH2 3.47Å; D455-R550 PolarHBondContact OD1-NH2 3.37Å; D455-R550 IonicContact OD2-CZ 3.73Å; D455-R550 IonicContact OD2-NE 2.78Å; D455-R550 IonicContact OD2-NH2 3.2Å; D455-R550 PolarHBondContact OD2-NH2 2.97Å; D455-Y576 PolarHBondContact OD1-OH 2.78Å; D455-W691 HydrophobicContact CB-CH2 3.81Å; D455-W691 HydrophobicContact CB-CZ3 4.35Å |
| 456 | Q | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.4 | -41.1 | 173.1 | -46.1 | -52.8 | -62.9 | 0 | 0 | 111.1 | F338 W452 L453 T458 S459 L460 R688 N692 | F338-Q456 HydrophobicContact CE2-CB 4.13Å; F338-Q456 HydrophobicContact CE2-CG 4.33Å; F338-Q456 HydrophobicContact CZ-CB 3.85Å; F338-Q456 HydrophobicContact CZ-CG 3.91Å; W452-Q456 HydrophobicContact CD2-CG 4.24Å; W452-Q456 HydrophobicContact CE3-CG 4.2Å; W452-Q456 HydrophobicContact CH2-CG 3.69Å; W452-Q456 VanDerWaalsContact CZ2-CD 3.43Å; W452-Q456 HydrophobicContact CZ2-CG 3.76Å; W452-Q456 HydrophobicContact CZ3-CG 3.94Å; W452-Q456 VanDerWaalsContact NE1-NE2 3.19Å; W452-Q456 WeakPolarHBondContact O-CG 3.43Å; W452-Q456 PolarHBondContact O-N 2.96Å; W452-Q456 VanDerWaalsContact O-N 3.17Å; W452-Q456 PolarHBondContact O-NE2 2.87Å; L453-Q456 HydrophobicContact CD1-CG 4.41Å; L453-Q456 WeakPolarHBondContact O-CB 3.49Å; L453-Q456 PolarHBondContact O-N 3.22Å; Q456-T458 PolarHBondContact O-N 3.05Å; Q456-S459 PolarHBondContact O-N 2.95Å; Q456-S459 VanDerWaalsContact O-N 3.14Å; Q456-L460 WeakPolarHBondContact O-CG 3.3Å; Q456-L460 PolarHBondContact O-N 2.77Å; Q456-R688 VanDerWaalsContact OE1-CG 3.27Å; Q456-N692 PolarHBondContact NE2-OD1 3.45Å; Q456-N692 PolarHBondContact OE1-ND2 2.76Å |
| 457 | L | 94.7 | Very high | 91.9 | Very high | 23 Ų | 23 | 17.4 Ų | 17.4 | 12% | 0.12 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.5 | -22.9 | 177.4 | -67.6 | 176.4 | 0 | 0 | 0 | 113.8 | L435 I438 L453 A454 D455 L460 S461 P546 | L435-L457 HydrophobicContact CD2-CD1 4.16Å; I438-L457 HydrophobicContact CD1-CD1 4.11Å; I438-L457 HydrophobicContact CG2-CD1 4.29Å; L453-L457 PolarHBondContact O-N 3.33Å; L453-L457 VanDerWaalsContact O-N 3.12Å; A454-L457 WeakPolarHBondContact O-CB 3.26Å; A454-L457 PolarHBondContact O-N 3.29Å; D455-L457 VanDerWaalsContact C-N 3.26Å; D455-L457 PolarHBondContact O-N 3.45Å; L457-L460 CarbonylContact O-C 3.4Å; L457-L460 PolarHBondContact O-N 3.21Å; L457-S461 PolarHBondContact O-N 2.96Å; L457-S461 VanDerWaalsContact O-N 3.11Å; L457-P546 HydrophobicContact CB-CB 4.1Å; L457-P546 HydrophobicContact CB-CG 4.48Å; L457-P546 VanDerWaalsContact O-CB 3.25Å; L457-P546 WeakPolarHBondContact O-CB 3.49Å; L457-P546 VanDerWaalsContact O-CG 3.23Å; L457-P546 WeakPolarHBondContact O-CG 3.45Å |
| 458 | T | 94.2 | Very high | 92.3 | Very high | 23 Ų | 23 | 17.9 Ų | 17.9 | 14% | 0.141 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.8 | -38.5 | 173.3 | 66.8 | 0 | 0 | 0 | 0 | 112 | A454 D455 Q456 S461 P546 R550 Y576 R688 | A454-T458 PolarHBondContact O-N 3.15Å; D455-T458 PolarHBondContact O-N 2.86Å; D455-T458 VanDerWaalsContact O-N 3.07Å; D455-T458 PolarHBondContact O-OG1 2.72Å; Q456-T458 PolarHBondContact O-N 3.05Å; T458-S461 VanDerWaalsContact O-CB 3.25Å; T458-S461 WeakPolarHBondContact O-CB 3.39Å; T458-S461 PolarHBondContact O-OG 2.82Å; T458-P546 HydrophobicContact CG2-CB 4.21Å; T458-R550 HydrophobicContact CG2-CG 3.81Å; T458-Y576 HydrophobicContact CG2-CE1 4.32Å; T458-R688 PolarHBondContact OG1-NH2 3.01Å; T458-R688 VanDerWaalsContact OG1-NH2 3.15Å |
| 459 | S | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -77.4 | -29.5 | 174.8 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | Q456 S461 E684 R688 | Q456-S459 PolarHBondContact O-N 2.95Å; Q456-S459 VanDerWaalsContact O-N 3.14Å; S459-S461 VanDerWaalsContact C-N 3.27Å; S459-S461 PolarHBondContact O-N 3.05Å; S459-E684 WeakPolarHBondContact CA-OE1 3.47Å; S459-E684 WeakPolarHBondContact CB-OE1 3.45Å; S459-E684 PolarHBondContact OG-OE1 3.38Å; S459-R688 PolarHBondContact OG-NE 2.9Å; S459-R688 PolarHBondContact OG-NH2 2.73Å; S459-R688 VanDerWaalsContact OG-NH2 3.12Å |
| 460 | L | 94.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 18.5 Ų | 18.5 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 21.8 | 173.1 | -58.4 | 174.1 | 0 | 0 | 0 | 113.3 | F338 Q456 L457 F462 I463 V685 | F338-L460 HydrophobicContact CB-CD2 4.17Å; F338-L460 HydrophobicContact CD1-CD1 3.93Å; F338-L460 HydrophobicContact CD2-CD1 4.15Å; F338-L460 HydrophobicContact CD2-CD2 4.25Å; F338-L460 HydrophobicContact CD2-CG 4.48Å; F338-L460 HydrophobicContact CE1-CD1 4.07Å; F338-L460 HydrophobicContact CE2-CD1 4.28Å; F338-L460 HydrophobicContact CG-CD1 3.98Å; F338-L460 HydrophobicContact CG-CD2 4.16Å; F338-L460 HydrophobicContact CZ-CD1 4.25Å; Q456-L460 WeakPolarHBondContact O-CG 3.3Å; Q456-L460 PolarHBondContact O-N 2.77Å; L457-L460 CarbonylContact O-C 3.4Å; L457-L460 PolarHBondContact O-N 3.21Å; L460-F462 HydrophobicContact CB-CE1 4.38Å; L460-F462 HydrophobicContact CD2-CE1 3.83Å; L460-F462 HydrophobicContact CD2-CZ 3.72Å; L460-F462 PolarHBondContact O-N 2.93Å; L460-F462 VanDerWaalsContact O-N 3.17Å; L460-I463 HydrophobicContact CB-CD1 3.89Å; L460-I463 HydrophobicContact CB-CG1 4.35Å; L460-I463 HydrophobicContact CD1-CD1 4.42Å; L460-I463 HydrophobicContact CD2-CD1 4.45Å; L460-I463 HydrophobicContact CG-CD1 4.48Å; L460-I463 WeakPolarHBondContact O-CB 3.44Å; L460-I463 WeakPolarHBondContact O-CG1 3.46Å; L460-I463 PolarHBondContact O-N 3.16Å; L460-I463 VanDerWaalsContact O-N 3.08Å; L460-V685 HydrophobicContact CD2-CG2 3.92Å |
| 461 | S | 93.3 | Very high | 92.5 | Very high | 27 Ų | 27 | 23.5 Ų | 23.5 | 19% | 0.189 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.6 | -175.1 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | L457 T458 S459 I463 P465 | L457-S461 PolarHBondContact O-N 2.96Å; L457-S461 VanDerWaalsContact O-N 3.11Å; T458-S461 VanDerWaalsContact O-CB 3.25Å; T458-S461 WeakPolarHBondContact O-CB 3.39Å; T458-S461 PolarHBondContact O-OG 2.82Å; S459-S461 VanDerWaalsContact C-N 3.27Å; S459-S461 PolarHBondContact O-N 3.05Å; S461-I463 PolarHBondContact O-N 3Å; S461-P465 VanDerWaalsContact O-CD 3.3Å; S461-P465 WeakPolarHBondContact O-CD 3.38Å |
| 462 | F | 90.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.7 | 172.8 | 62.8 | -92.6 | 0 | 0 | 0 | 114 | L334 L460 F464 P465 D466 L681 V685 | L334-F462 HydrophobicContact CB-CE1 4.4Å; L334-F462 HydrophobicContact CB-CE2 3.66Å; L334-F462 HydrophobicContact CB-CZ 3.41Å; L334-F462 VanDerWaalsContact CB-CZ 3.41Å; L334-F462 HydrophobicContact CD1-CD1 4.45Å; L334-F462 HydrophobicContact CD1-CD2 3.98Å; L334-F462 HydrophobicContact CD1-CE1 4.01Å; L334-F462 HydrophobicContact CD1-CE2 3.54Å; L334-F462 HydrophobicContact CD1-CG 4.44Å; L334-F462 HydrophobicContact CD1-CZ 3.57Å; L334-F462 HydrophobicContact CG-CE2 4.24Å; L334-F462 HydrophobicContact CG-CZ 4.13Å; L460-F462 HydrophobicContact CB-CE1 4.38Å; L460-F462 HydrophobicContact CD2-CE1 3.83Å; L460-F462 HydrophobicContact CD2-CZ 3.72Å; L460-F462 PolarHBondContact O-N 2.93Å; L460-F462 VanDerWaalsContact O-N 3.17Å; F462-F464 PolarHBondContact O-N 3.1Å; F462-P465 VanDerWaalsContact O-CD 3.25Å; F462-P465 WeakPolarHBondContact O-CD 3.3Å; F462-P465 WeakPolarHBondContact O-CG 3.47Å; F462-D466 WeakPolarHBondContact O-CB 3.49Å; F462-D466 PolarHBondContact O-N 3.11Å; F462-L681 HydrophobicContact CB-CD1 3.59Å; F462-L681 HydrophobicContact CB-CD2 3.94Å; F462-L681 HydrophobicContact CB-CG 4.38Å; F462-L681 HydrophobicContact CD1-CB 4.36Å; F462-L681 HydrophobicContact CD1-CD1 4.21Å; F462-L681 HydrophobicContact CD1-CD2 3.81Å; F462-L681 HydrophobicContact CD1-CG 4.34Å; F462-L681 HydrophobicContact CD2-CD1 4.41Å; F462-L681 HydrophobicContact CG-CD1 3.82Å; F462-L681 HydrophobicContact CG-CD2 4.15Å; F462-L681 HydrophobicContact CG-CG 4.44Å; F462-V685 HydrophobicContact CE1-CG2 4.26Å |
| 463 | I | 92.9 | Very high | 92.1 | Very high | 31 Ų | 31 | 23 Ų | 23 | 16% | 0.159 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -33.5 | -178 | -65.8 | -177.2 | 0 | 0 | 0 | 111.3 | L335 L460 S461 I467 | L335-I463 HydrophobicContact CD1-CD1 4.19Å; L460-I463 HydrophobicContact CB-CD1 3.89Å; L460-I463 HydrophobicContact CB-CG1 4.35Å; L460-I463 HydrophobicContact CD1-CD1 4.42Å; L460-I463 HydrophobicContact CD2-CD1 4.45Å; L460-I463 HydrophobicContact CG-CD1 4.48Å; L460-I463 WeakPolarHBondContact O-CB 3.44Å; L460-I463 WeakPolarHBondContact O-CG1 3.46Å; L460-I463 PolarHBondContact O-N 3.16Å; L460-I463 VanDerWaalsContact O-N 3.08Å; S461-I463 PolarHBondContact O-N 3Å; I463-I467 HydrophobicContact CG2-CD1 3.59Å; I463-I467 HydrophobicContact CG2-CG1 4.19Å; I463-I467 WeakPolarHBondContact O-CB 3.29Å; I463-I467 WeakPolarHBondContact O-CG1 3.47Å; I463-I467 PolarHBondContact O-N 2.86Å |
| 464 | F | 92.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 22.9 Ų | 22.9 | 21% | 0.211 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.3 | -53.2 | -177.7 | -61.5 | -90.7 | 0 | 0 | 0 | 113.2 | F462 A468 L542 L545 P546 | F462-F464 PolarHBondContact O-N 3.1Å; F464-A468 PolarHBondContact O-N 3.19Å; F464-L542 HydrophobicContact CB-CB 3.87Å; F464-L542 HydrophobicContact CB-CD2 4.21Å; F464-L545 HydrophobicContact CD1-CD2 3.91Å; F464-L545 HydrophobicContact CE1-CD2 4.02Å; F464-P546 HydrophobicContact CD2-CG 3.95Å; F464-P546 HydrophobicContact CE2-CG 3.56Å; F464-P546 HydrophobicContact CZ-CG 4.31Å |
| 465 | P | 90.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.9 | -31.4 | 172.4 | 28.7 | -36.7 | 0 | 0 | 0 | 113.4 | S461 F462 A468 Y469 L535 D539 K543 | S461-P465 VanDerWaalsContact O-CD 3.3Å; S461-P465 WeakPolarHBondContact O-CD 3.38Å; F462-P465 VanDerWaalsContact O-CD 3.25Å; F462-P465 WeakPolarHBondContact O-CD 3.3Å; F462-P465 WeakPolarHBondContact O-CG 3.47Å; P465-A468 PolarHBondContact O-N 3.35Å; P465-Y469 WeakPolarHBondContact O-CB 3.36Å; P465-Y469 PolarHBondContact O-N 3.23Å; P465-L535 HydrophobicContact CB-CD2 4.3Å; P465-D539 VanDerWaalsContact CB-OD1 3.31Å; P465-D539 WeakPolarHBondContact CB-OD1 3.35Å; P465-K543 HydrophobicContact CG-CG 3.96Å |
| 466 | D | 91.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 30 Ų | 30 | 9% | 0.086 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.9 | -35.6 | 176.3 | -78.9 | -8 | 0 | 0 | 0 | 111.8 | R327 R330 F462 F470 | R327-D466 IonicContact NE-OD1 3.8Å; R330-D466 IonicContact CZ-OD1 3.14Å; R330-D466 IonicContact CZ-OD2 3.9Å; R330-D466 IonicContact NE-OD1 2.73Å; R330-D466 IonicContact NE-OD2 3.56Å; R330-D466 PolarHBondContact NE-OD2 2.9Å; R330-D466 IonicContact NH2-OD1 3.64Å; R330-D466 PolarHBondContact NH2-OD1 3.49Å; R330-D466 IonicContact NH2-OD2 3.52Å; R330-D466 PolarHBondContact NH2-OD2 3.44Å; F462-D466 WeakPolarHBondContact O-CB 3.49Å; F462-D466 PolarHBondContact O-N 3.11Å; D466-F470 VanDerWaalsContact O-CB 3.29Å; D466-F470 WeakPolarHBondContact O-CB 3.45Å; D466-F470 PolarHBondContact O-N 2.84Å |
| 467 | I | 91.7 | Very high | 90.1 | Very high | 91 Ų | 91 | 31.4 Ų | 31.4 | 47% | 0.467 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65 | -42.9 | 170.1 | -75 | 170.6 | 0 | 0 | 0 | 111.3 | I463 F470 I471 | I463-I467 HydrophobicContact CG2-CD1 3.59Å; I463-I467 HydrophobicContact CG2-CG1 4.19Å; I463-I467 WeakPolarHBondContact O-CB 3.29Å; I463-I467 WeakPolarHBondContact O-CG1 3.47Å; I463-I467 PolarHBondContact O-N 2.86Å; I467-F470 WeakPolarHBondContact O-CB 3.29Å; I467-F470 PolarHBondContact O-N 3.3Å; I467-I471 HydrophobicContact CG2-CD1 3.85Å; I467-I471 WeakPolarHBondContact O-CG1 3.48Å; I467-I471 PolarHBondContact O-N 2.92Å |
| 468 | A | 91.3 | Very high | 89.7 | Confident | 21 Ų | 21 | 30.9 Ų | 30.9 | 17% | 0.174 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.1 | -37.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F464 P465 I471 C472 L535 L542 | F464-A468 PolarHBondContact O-N 3.19Å; P465-A468 PolarHBondContact O-N 3.35Å; A468-I471 PolarHBondContact O-N 3.47Å; A468-C472 WeakPolarHBondContact O-CB 3.42Å; A468-C472 PolarHBondContact O-N 2.95Å; A468-L535 HydrophobicContact CB-CD1 3.39Å; A468-L535 HydrophobicContact CB-CD2 4.27Å; A468-L535 HydrophobicContact CB-CG 4.49Å; A468-L542 HydrophobicContact CB-CD1 3.6Å |
| 469 | Y | 88.7 | Confident | 89.2 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 169.2 | 178.1 | -91.5 | 0 | 0 | 0 | 111.5 | R327 L328 P465 I471 C472 F473 C531 | R327-Y469 HydrophobicContact CB-CE1 4.13Å; R327-Y469 HydrophobicContact CG-CD1 3.75Å; R327-Y469 HydrophobicContact CG-CE1 3.78Å; R327-Y469 HydrophobicContact CG-CG 4.33Å; L328-Y469 HydrophobicContact CD2-CD1 4.22Å; L328-Y469 HydrophobicContact CD2-CE1 4.15Å; L328-Y469 HydrophobicContact CG-CE1 4.35Å; P465-Y469 WeakPolarHBondContact O-CB 3.36Å; P465-Y469 PolarHBondContact O-N 3.23Å; Y469-I471 PolarHBondContact O-N 3.32Å; Y469-C472 PolarHBondContact O-N 3.43Å; Y469-F473 HydrophobicContact CE1-CB 4.45Å; Y469-F473 HydrophobicContact CE1-CD2 4.41Å; Y469-F473 VanDerWaalsContact O-CB 3.28Å; Y469-F473 WeakPolarHBondContact O-CB 3.47Å; Y469-F473 PolarHBondContact O-N 3.43Å; Y469-C531 HydrophobicContact CD2-CB 4.13Å; Y469-C531 HydrophobicContact CE2-CB 4.19Å |
| 470 | F | 91.7 | Very high | 88.8 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 13% | 0.127 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56 | -50.3 | 175.5 | 176.7 | -76.5 | 0 | 0 | 0 | 111.3 | L328 L406 V409 D466 I467 C472 F473 Y474 | L328-F470 HydrophobicContact CD2-CB 4.09Å; L328-F470 HydrophobicContact CD2-CD2 3.74Å; L328-F470 HydrophobicContact CD2-CG 4.25Å; L406-F470 HydrophobicContact CD1-CE1 4.32Å; L406-F470 HydrophobicContact CD1-CZ 3.9Å; V409-F470 HydrophobicContact CB-CE1 4.49Å; V409-F470 HydrophobicContact CB-CE2 3.62Å; V409-F470 HydrophobicContact CB-CZ 3.6Å; V409-F470 HydrophobicContact CG1-CE1 4.07Å; V409-F470 HydrophobicContact CG1-CE2 3.96Å; V409-F470 HydrophobicContact CG1-CZ 3.67Å; V409-F470 HydrophobicContact CG2-CD2 4.05Å; V409-F470 HydrophobicContact CG2-CE2 3.46Å; V409-F470 VanDerWaalsContact CG2-CE2 3.46Å; V409-F470 HydrophobicContact CG2-CZ 4.01Å; D466-F470 VanDerWaalsContact O-CB 3.29Å; D466-F470 WeakPolarHBondContact O-CB 3.45Å; D466-F470 PolarHBondContact O-N 2.84Å; I467-F470 WeakPolarHBondContact O-CB 3.29Å; I467-F470 PolarHBondContact O-N 3.3Å; F470-C472 VanDerWaalsContact C-N 3.35Å; F470-C472 PolarHBondContact O-N 3.14Å; F470-F473 PolarHBondContact O-N 2.85Å; F470-Y474 AromaticContact CD1-CD2 3.88Å; F470-Y474 HydrophobicContact CD1-CD2 3.88Å; F470-Y474 HydrophobicContact CD1-CE2 4.15Å; F470-Y474 HydrophobicContact CD2-CD2 4.23Å; F470-Y474 AromaticContact CD2-CE2 3.67Å; F470-Y474 HydrophobicContact CD2-CE2 3.67Å; F470-Y474 AromaticContact CE1-CD2 3.74Å; F470-Y474 HydrophobicContact CE1-CD2 3.74Å; F470-Y474 AromaticContact CE1-CE2 3.92Å; F470-Y474 HydrophobicContact CE1-CE2 3.92Å; F470-Y474 HydrophobicContact CE2-CD2 4.1Å; F470-Y474 AromaticContact CE2-CE2 3.42Å; F470-Y474 HydrophobicContact CE2-CE2 3.42Å; F470-Y474 VanDerWaalsContact CE2-CE2 3.42Å; F470-Y474 HydrophobicContact CG-CD2 4.11Å; F470-Y474 HydrophobicContact CG-CE2 4.02Å; F470-Y474 AromaticContact CZ-CD2 3.85Å; F470-Y474 HydrophobicContact CZ-CD2 3.85Å; F470-Y474 AromaticContact CZ-CE2 3.55Å; F470-Y474 HydrophobicContact CZ-CE2 3.55Å; F470-Y474 WeakPolarHBondContact O-CD2 3.37Å; F470-Y474 PolarHBondContact O-N 3.43Å |
| 471 | I | 90.7 | Very high | 88.2 | Confident | 107 Ų | 107 | 41.3 Ų | 41.3 | 55% | 0.549 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 178.8 | -69 | 165.4 | 0 | 0 | 0 | 110.6 | I467 A468 Y469 S475 | I467-I471 HydrophobicContact CG2-CD1 3.85Å; I467-I471 WeakPolarHBondContact O-CG1 3.48Å; I467-I471 PolarHBondContact O-N 2.92Å; A468-I471 PolarHBondContact O-N 3.47Å; Y469-I471 PolarHBondContact O-N 3.32Å; I471-S475 WeakPolarHBondContact O-CB 3.45Å; I471-S475 PolarHBondContact O-N 3.33Å; I471-S475 VanDerWaalsContact O-N 3.08Å; I471-S475 PolarHBondContact O-OG 3.06Å |
| 472 | C | 87.5 | Confident | 87.5 | Confident | 14 Ų | 14 | 45 Ų | 45 | 10% | 0.095 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 178.4 | 179 | 0 | 0 | 0 | 0 | 112.8 | A468 Y469 F470 Y474 S475 S476 C531 | A468-C472 WeakPolarHBondContact O-CB 3.42Å; A468-C472 PolarHBondContact O-N 2.95Å; Y469-C472 PolarHBondContact O-N 3.43Å; F470-C472 VanDerWaalsContact C-N 3.35Å; F470-C472 PolarHBondContact O-N 3.14Å; C472-Y474 PolarHBondContact O-N 3.09Å; C472-S475 WeakPolarHBondContact CA-OG 3.39Å; C472-S475 PolarHBondContact O-N 2.91Å; C472-S475 VanDerWaalsContact O-N 3.11Å; C472-S475 PolarHBondContact O-OG 3.1Å; C472-S476 PolarHBondContact O-N 2.9Å; C472-S476 PolarHBondContact O-OG 3.46Å; C472-C531 HydrophobicContact CB-CB 3.77Å; C472-C531 WeakPolarHBondContact CB-SG 3.44Å; C472-C531 PolarHBondContact O-SG 2.98Å; C472-C531 WeakPolarHBondContact SG-CA 3.36Å; C472-C531 WeakPolarHBondContact SG-CB 3.4Å; C472-C531 CovalentContact SG-SG 2.04Å; C472-C531 PolarHBondContact SG-SG 3.36Å |
| 473 | F | 87.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.1 | -48.6 | -178.1 | 179.9 | -90.7 | 0 | 0 | 0 | 111.1 | P324 L328 Y402 Y469 F470 S475 Q477 I478 Y486 C531 | P324-F473 HydrophobicContact CB-CE2 3.83Å; L328-F473 HydrophobicContact CD1-CD1 3.76Å; L328-F473 HydrophobicContact CD1-CE1 3.58Å; L328-F473 HydrophobicContact CD1-CE2 4.42Å; L328-F473 HydrophobicContact CD1-CG 4.26Å; L328-F473 HydrophobicContact CD1-CZ 3.96Å; L328-F473 HydrophobicContact CD2-CB 4.46Å; L328-F473 HydrophobicContact CD2-CD1 4.27Å; L328-F473 HydrophobicContact CD2-CG 4.37Å; Y402-F473 AromaticContact CD1-CE1 3.73Å; Y402-F473 HydrophobicContact CD1-CE1 3.73Å; Y402-F473 AromaticContact CD1-CZ 3.5Å; Y402-F473 HydrophobicContact CD1-CZ 3.5Å; Y402-F473 VanDerWaalsContact CD1-CZ 3.5Å; Y402-F473 HydrophobicContact CE1-CE1 4.29Å; Y402-F473 HydrophobicContact CE1-CE2 4.43Å; Y402-F473 AromaticContact CE1-CZ 3.6Å; Y402-F473 HydrophobicContact CE1-CZ 3.6Å; Y402-F473 HydrophobicContact CG-CE1 4.14Å; Y402-F473 HydrophobicContact CG-CZ 4.06Å; Y469-F473 HydrophobicContact CE1-CB 4.45Å; Y469-F473 HydrophobicContact CE1-CD2 4.41Å; Y469-F473 VanDerWaalsContact O-CB 3.28Å; Y469-F473 WeakPolarHBondContact O-CB 3.47Å; Y469-F473 PolarHBondContact O-N 3.43Å; F470-F473 PolarHBondContact O-N 2.85Å; F473-S475 VanDerWaalsContact C-N 3.34Å; F473-S475 PolarHBondContact O-N 3.36Å; F473-Q477 HydrophobicContact CD2-CB 4.13Å; F473-Q477 HydrophobicContact CE2-CB 4.31Å; F473-Q477 WeakPolarHBondContact O-CA 3.37Å; F473-Q477 PolarHBondContact O-N 3.32Å; F473-I478 HydrophobicContact CD1-CD1 4.48Å; F473-I478 HydrophobicContact CD1-CG1 3.99Å; F473-I478 HydrophobicContact CE1-CD1 3.62Å; F473-I478 HydrophobicContact CE1-CG1 3.62Å; F473-I478 HydrophobicContact CZ-CD1 3.98Å; F473-I478 HydrophobicContact CZ-CG1 4.32Å; F473-I478 PolarHBondContact O-N 2.83Å; F473-Y486 HydrophobicContact CD2-CE2 4.45Å; F473-Y486 AromaticContact CE2-CD2 3.75Å; F473-Y486 HydrophobicContact CE2-CD2 3.75Å; F473-Y486 AromaticContact CE2-CE2 3.48Å; F473-Y486 HydrophobicContact CE2-CE2 3.48Å; F473-Y486 VanDerWaalsContact CE2-CE2 3.48Å; F473-Y486 AromaticContact CZ-CD2 3.69Å; F473-Y486 HydrophobicContact CZ-CD2 3.69Å; F473-Y486 AromaticContact CZ-CE2 3.94Å; F473-Y486 HydrophobicContact CZ-CE2 3.94Å; F473-C531 PolarHBondContact N-SG 3.4Å |
| 474 | Y | 89.6 | Confident | 86.5 | Confident | 14 Ų | 14 | 48 Ų | 48 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.5 | -20.8 | 176.6 | -70.9 | -71.6 | 0 | 0 | 0 | 114.1 | L328 Y402 P405 L406 F470 C472 I478 W480 | L328-Y474 HydrophobicContact CD2-CE2 4.21Å; Y402-Y474 PolarHBondContact O-OH 3.05Å; P405-Y474 WeakPolarHBondContact CG-OH 3.45Å; L406-Y474 HydrophobicContact CB-CE1 3.8Å; L406-Y474 HydrophobicContact CB-CE2 4.39Å; L406-Y474 HydrophobicContact CD1-CD1 4.41Å; L406-Y474 HydrophobicContact CD1-CD2 4.39Å; L406-Y474 HydrophobicContact CD1-CE1 4.44Å; L406-Y474 HydrophobicContact CD1-CE2 4.45Å; L406-Y474 HydrophobicContact CD1-CG 4.41Å; L406-Y474 HydrophobicContact CD2-CD1 4.34Å; L406-Y474 HydrophobicContact CD2-CE1 4.26Å; L406-Y474 HydrophobicContact CG-CE1 4.39Å; L406-Y474 PolarHBondContact N-OH 3.38Å; F470-Y474 AromaticContact CD1-CD2 3.88Å; F470-Y474 HydrophobicContact CD1-CD2 3.88Å; F470-Y474 HydrophobicContact CD1-CE2 4.15Å; F470-Y474 HydrophobicContact CD2-CD2 4.23Å; F470-Y474 AromaticContact CD2-CE2 3.67Å; F470-Y474 HydrophobicContact CD2-CE2 3.67Å; F470-Y474 AromaticContact CE1-CD2 3.74Å; F470-Y474 HydrophobicContact CE1-CD2 3.74Å; F470-Y474 AromaticContact CE1-CE2 3.92Å; F470-Y474 HydrophobicContact CE1-CE2 3.92Å; F470-Y474 HydrophobicContact CE2-CD2 4.1Å; F470-Y474 AromaticContact CE2-CE2 3.42Å; F470-Y474 HydrophobicContact CE2-CE2 3.42Å; F470-Y474 VanDerWaalsContact CE2-CE2 3.42Å; F470-Y474 HydrophobicContact CG-CD2 4.11Å; F470-Y474 HydrophobicContact CG-CE2 4.02Å; F470-Y474 AromaticContact CZ-CD2 3.85Å; F470-Y474 HydrophobicContact CZ-CD2 3.85Å; F470-Y474 AromaticContact CZ-CE2 3.55Å; F470-Y474 HydrophobicContact CZ-CE2 3.55Å; F470-Y474 WeakPolarHBondContact O-CD2 3.37Å; F470-Y474 PolarHBondContact O-N 3.43Å; C472-Y474 PolarHBondContact O-N 3.09Å; Y474-I478 HydrophobicContact CD1-CB 4.43Å; Y474-I478 HydrophobicContact CD1-CG1 3.84Å; Y474-I478 HydrophobicContact CE1-CG1 4.14Å; Y474-W480 HydrophobicContact CD1-CZ2 4.23Å; Y474-W480 PolarHBondContact O-NE1 3.5Å |
| 475 | S | 85.8 | Confident | 85.9 | Confident | 90 Ų | 90 | 48 Ų | 48 | 63% | 0.629 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -87.1 | -20.1 | 176.7 | 73.1 | 0 | 0 | 0 | 0 | 114.4 | I471 C472 F473 | I471-S475 WeakPolarHBondContact O-CB 3.45Å; I471-S475 PolarHBondContact O-N 3.33Å; I471-S475 VanDerWaalsContact O-N 3.08Å; I471-S475 PolarHBondContact O-OG 3.06Å; C472-S475 WeakPolarHBondContact CA-OG 3.39Å; C472-S475 PolarHBondContact O-N 2.91Å; C472-S475 VanDerWaalsContact O-N 3.11Å; C472-S475 PolarHBondContact O-OG 3.1Å; F473-S475 VanDerWaalsContact C-N 3.34Å; F473-S475 PolarHBondContact O-N 3.36Å |
| 476 | S | 78.3 | Confident | 85.5 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -134 | -26 | -170.3 | 65.2 | 0 | 0 | 0 | 0 | 116.2 | C472 C531 | C472-S476 PolarHBondContact O-N 2.9Å; C472-S476 PolarHBondContact O-OG 3.46Å; S476-C531 PolarHBondContact OG-SG 3.34Å |
| 477 | Q | 80.8 | Confident | 84.7 | Confident | 30 Ų | 30 | 53 Ų | 53 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -6.3 | -174.3 | -55.2 | -165.4 | -17.5 | 0 | 0 | 114.1 | F473 Y486 K487 | F473-Q477 HydrophobicContact CD2-CB 4.13Å; F473-Q477 HydrophobicContact CE2-CB 4.31Å; F473-Q477 WeakPolarHBondContact O-CA 3.37Å; F473-Q477 PolarHBondContact O-N 3.32Å; Q477-Y486 HydrophobicContact CB-CD2 4.18Å; Q477-Y486 HydrophobicContact CB-CE2 3.86Å; Q477-Y486 WeakPolarHBondContact O-CD2 3.25Å; Q477-K487 PolarHBondContact O-N 3.34Å |
| 478 | I | 85.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.6 | 176.3 | -68.1 | -62.1 | 0 | 0 | 0 | 110.5 | Y402 F473 Y474 W480 M484 Y486 | Y402-I478 HydrophobicContact CD2-CD1 4.36Å; Y402-I478 HydrophobicContact CG-CD1 4.21Å; F473-I478 HydrophobicContact CD1-CD1 4.48Å; F473-I478 HydrophobicContact CD1-CG1 3.99Å; F473-I478 HydrophobicContact CE1-CD1 3.62Å; F473-I478 HydrophobicContact CE1-CG1 3.62Å; F473-I478 HydrophobicContact CZ-CD1 3.98Å; F473-I478 HydrophobicContact CZ-CG1 4.32Å; F473-I478 PolarHBondContact O-N 2.83Å; Y474-I478 HydrophobicContact CD1-CB 4.43Å; Y474-I478 HydrophobicContact CD1-CG1 3.84Å; Y474-I478 HydrophobicContact CE1-CG1 4.14Å; I478-W480 HydrophobicContact CG2-CD2 4.36Å; I478-W480 PolarHBondContact O-N 2.81Å; I478-M484 HydrophobicContact CG2-CB 3.9Å; I478-M484 HydrophobicContact CG2-CG 4.21Å; I478-Y486 HydrophobicContact CD1-CD2 4.49Å |
| 479 | D | 84.1 | Confident | 81.8 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 97.7 | 173.1 | -170.7 | -11.1 | 0 | 0 | 0 | 111.7 | A481 N482 M484 S485 K487 | D479-A481 PolarHBondContact O-N 3.06Å; D479-A481 WeakPolarHBondContact OD1-CA 3.34Å; D479-A481 WeakPolarHBondContact OD1-CB 3.37Å; D479-A481 PolarHBondContact OD1-N 2.97Å; D479-N482 HydrophobicContact CB-CB 4.38Å; D479-N482 CarbonylContact O-C 3.46Å; D479-N482 PolarHBondContact O-N 3.22Å; D479-N482 PolarHBondContact OD1-N 3.21Å; D479-N482 VanDerWaalsContact OD1-N 3.09Å; D479-N482 WeakPolarHBondContact OD2-CB 3.49Å; D479-N482 PolarHBondContact OD2-ND2 2.68Å; D479-M484 WeakPolarHBondContact O-CA 3.24Å; D479-M484 PolarHBondContact O-N 2.92Å; D479-S485 PolarHBondContact N-O 3.44Å; D479-K487 HydrophobicContact CB-CD 4.14Å; D479-K487 HydrophobicContact CB-CG 4.44Å; D479-K487 WeakPolarHBondContact OD2-CE 3.4Å; D479-K487 IonicContact OD2-NZ 2.62Å; D479-K487 PolarHBondContact OD2-NZ 3.24Å |
| 480 | W | 86 | Confident | 80 | Confident | 145 Ų | 145 | 58.6 Ų | 58.6 | 55% | 0.549 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.5 | 175.7 | -63.8 | 94.1 | 0 | 0 | 0 | 114.5 | L406 Y474 I478 M484 | L406-W480 HydrophobicContact CD2-CH2 3.68Å; L406-W480 HydrophobicContact CD2-CZ3 4.32Å; Y474-W480 HydrophobicContact CD1-CZ2 4.23Å; Y474-W480 PolarHBondContact O-NE1 3.5Å; I478-W480 HydrophobicContact CG2-CD2 4.36Å; I478-W480 PolarHBondContact O-N 2.81Å; W480-M484 HydrophobicContact CE3-CG 3.91Å; W480-M484 HydrophobicContact CE3-SD 4.19Å; W480-M484 HydrophobicContact CH2-SD 4.44Å; W480-M484 HydrophobicContact CZ3-CG 4.08Å; W480-M484 HydrophobicContact CZ3-SD 3.75Å |
| 481 | A | 82.5 | Confident | 77.7 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 73% | 0.727 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | D479 G483 | D479-A481 PolarHBondContact O-N 3.06Å; D479-A481 WeakPolarHBondContact OD1-CA 3.34Å; D479-A481 WeakPolarHBondContact OD1-CB 3.37Å; D479-A481 PolarHBondContact OD1-N 2.97Å; A481-G483 VanDerWaalsContact C-N 3.33Å; A481-G483 PolarHBondContact O-N 3.06Å |
| 482 | N | 77.7 | Confident | 75.2 | Confident | 105 Ų | 105 | 62.5 Ų | 62.5 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 60.2 | 177.6 | -64.1 | -63.2 | 0 | 0 | 0 | 111.8 | D479 M484 S485 | D479-N482 HydrophobicContact CB-CB 4.38Å; D479-N482 CarbonylContact O-C 3.46Å; D479-N482 PolarHBondContact O-N 3.22Å; D479-N482 PolarHBondContact OD1-N 3.21Å; D479-N482 VanDerWaalsContact OD1-N 3.09Å; D479-N482 WeakPolarHBondContact OD2-CB 3.49Å; D479-N482 PolarHBondContact OD2-ND2 2.68Å; N482-M484 VanDerWaalsContact C-N 3.35Å; N482-M484 PolarHBondContact O-N 2.96Å; N482-S485 WeakPolarHBondContact O-CB 3.26Å; N482-S485 PolarHBondContact O-N 3.29Å; N482-S485 PolarHBondContact O-OG 3.16Å |
| 483 | G | 79.1 | Confident | 72.7 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 54% | 0.536 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 22.3 | 164 | 0 | 0 | 0 | 0 | 0 | 116.8 | P400 A481 S485 | P400-G483 WeakPolarHBondContact CB-O 3.36Å; A481-G483 VanDerWaalsContact C-N 3.33Å; A481-G483 PolarHBondContact O-N 3.06Å; G483-S485 VanDerWaalsContact C-N 3.32Å |
| 484 | M | 83.9 | Confident | 70.1 | Confident | 49 Ų | 49 | 72.4 Ų | 72.4 | 24% | 0.241 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 33.3 | -169.3 | -56.4 | 178.4 | -71.4 | 0 | 0 | 113.7 | P400 A403 I478 D479 W480 N482 | P400-M484 HydrophobicContact CB-CB 4.14Å; P400-M484 HydrophobicContact CB-CE 4.46Å; P400-M484 HydrophobicContact CG-CE 3.96Å; A403-M484 HydrophobicContact CB-CE 3.75Å; A403-M484 HydrophobicContact CB-SD 4.47Å; I478-M484 HydrophobicContact CG2-CB 3.9Å; I478-M484 HydrophobicContact CG2-CG 4.21Å; D479-M484 WeakPolarHBondContact O-CA 3.24Å; D479-M484 PolarHBondContact O-N 2.92Å; W480-M484 HydrophobicContact CE3-CG 3.91Å; W480-M484 HydrophobicContact CE3-SD 4.19Å; W480-M484 HydrophobicContact CH2-SD 4.44Å; W480-M484 HydrophobicContact CZ3-CG 4.08Å; W480-M484 HydrophobicContact CZ3-SD 3.75Å; N482-M484 VanDerWaalsContact C-N 3.35Å; N482-M484 PolarHBondContact O-N 2.96Å |
| 485 | S | 80.6 | Confident | 67.3 | Low | 49 Ų | 49 | 78.5 Ų | 78.5 | 34% | 0.343 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 139.8 | 169.2 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | D479 N482 G483 | D479-S485 PolarHBondContact N-O 3.44Å; N482-S485 WeakPolarHBondContact O-CB 3.26Å; N482-S485 PolarHBondContact O-N 3.29Å; N482-S485 PolarHBondContact O-OG 3.16Å; G483-S485 VanDerWaalsContact C-N 3.32Å |
| 486 | Y | 81.1 | Confident | 64.8 | Low | 49 Ų | 49 | 79 Ų | 79 | 19% | 0.192 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132.5 | 172.5 | 173.1 | -116.9 | 0 | 0 | 0 | 109.9 | H321 Y402 F473 Q477 I478 P488 | H321-Y486 HydrophobicContact CB-CD1 3.98Å; H321-Y486 HydrophobicContact CB-CE1 3.62Å; H321-Y486 AromaticContact CG-CE1 3.67Å; Y402-Y486 VanDerWaalsContact CE2-CB 3.43Å; Y402-Y486 HydrophobicContact CE2-CD1 4.26Å; Y402-Y486 AromaticContact CE2-CG 3.86Å; Y402-Y486 HydrophobicContact CE2-CG 3.86Å; F473-Y486 HydrophobicContact CD2-CE2 4.45Å; F473-Y486 AromaticContact CE2-CD2 3.75Å; F473-Y486 HydrophobicContact CE2-CD2 3.75Å; F473-Y486 AromaticContact CE2-CE2 3.48Å; F473-Y486 HydrophobicContact CE2-CE2 3.48Å; F473-Y486 VanDerWaalsContact CE2-CE2 3.48Å; F473-Y486 AromaticContact CZ-CD2 3.69Å; F473-Y486 HydrophobicContact CZ-CD2 3.69Å; F473-Y486 AromaticContact CZ-CE2 3.94Å; F473-Y486 HydrophobicContact CZ-CE2 3.94Å; Q477-Y486 HydrophobicContact CB-CD2 4.18Å; Q477-Y486 HydrophobicContact CB-CE2 3.86Å; Q477-Y486 WeakPolarHBondContact O-CD2 3.25Å; I478-Y486 HydrophobicContact CD1-CD2 4.49Å; Y486-P488 HydrophobicContact CD1-CB 4.47Å; Y486-P488 HydrophobicContact CD1-CG 4.4Å; Y486-P488 HydrophobicContact CE1-CB 3.81Å; Y486-P488 HydrophobicContact CE1-CG 4.21Å; Y486-P488 WeakPolarHBondContact O-CD 3.32Å |
| 487 | K | 74.9 | Confident | 62.6 | Low | 75 Ų | 75 | 81.2 Ų | 81.2 | 33% | 0.326 | 48% | 0.481 | S | S | . | . | trans | -105.3 | 91.9 | 174.1 | -75.2 | -179.8 | 176.9 | 163.5 | 0 | 109.9 | Q477 D479 Q489 L512 | Q477-K487 PolarHBondContact O-N 3.34Å; D479-K487 HydrophobicContact CB-CD 4.14Å; D479-K487 HydrophobicContact CB-CG 4.44Å; D479-K487 WeakPolarHBondContact OD2-CE 3.4Å; D479-K487 IonicContact OD2-NZ 2.62Å; D479-K487 PolarHBondContact OD2-NZ 3.24Å; K487-Q489 PolarHBondContact O-N 2.98Å; K487-L512 HydrophobicContact CD-CD2 4.25Å | ||
| 488 | P | 66.3 | Low | 60.3 | Low | 42 Ų | 42 | 86.8 Ų | 86.8 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | trans | -61.8 | 130 | 161 | 28.7 | -32.2 | 0 | 0 | 0 | 107.8 | Y486 N490 | Y486-P488 HydrophobicContact CD1-CB 4.47Å; Y486-P488 HydrophobicContact CD1-CG 4.4Å; Y486-P488 HydrophobicContact CE1-CB 3.81Å; Y486-P488 HydrophobicContact CE1-CG 4.21Å; Y486-P488 WeakPolarHBondContact O-CD 3.32Å; P488-N490 PolarHBondContact O-N 3.11Å | ||
| 489 | Q | 56.5 | Low | 57.9 | Low | 90 Ų | 90 | 92.9 Ų | 92.9 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | trans | -76.9 | 109.8 | 169 | -171.4 | 179.7 | -8.8 | 0 | 0 | 107.7 | K487 S491 A518 | K487-Q489 PolarHBondContact O-N 2.98Å; Q489-S491 PolarHBondContact O-N 3.03Å; Q489-A518 PolarHBondContact NE2-O 3.48Å | ||
| 490 | N | 50.3 | Low | 55.5 | Low | 112 Ų | 112 | 97.3 Ų | 97.3 | 60% | 0.599 | 58% | 0.576 | S | S | * | * | trans | -57.4 | 124.2 | 178.2 | -73.6 | -3.4 | 0 | 0 | 0 | 110.3 | P488 S492 | P488-N490 PolarHBondContact O-N 3.11Å; N490-S492 PolarHBondContact O-N 3.09Å | ||
| 491 | S | 43.7 | Very low | 53 | Low | 133 Ų | 133 | 94.1 Ų | 94.1 | 93% | 0.93 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -67.4 | 9.8 | 174.2 | -45 | 0 | 0 | 0 | 0 | 113.8 | Q489 | Q489-S491 PolarHBondContact O-N 3.03Š|
| 492 | S | 37 | Very low | 50.7 | Low | 84 Ų | 84 | 98.3 Ų | 98.3 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | trans | -107.1 | 46.8 | -176.6 | 69.3 | 0 | 0 | 0 | 0 | 112 | N490 T494 | N490-S492 PolarHBondContact O-N 3.09Å; S492-T494 PolarHBondContact O-N 3.07Å | ||
| 493 | V | 36.1 | Very low | 48.5 | Very low | 98 Ų | 98 | 100.2 Ų | 100.2 | 59% | 0.594 | 60% | 0.602 | S | S | * | * | trans | -83 | 76.1 | 157.8 | -174.8 | 0 | 0 | 0 | 0 | 107.2 | L495 | V493-L495 PolarHBondContact O-N 3.45Š| ||
| 494 | T | 33 | Very low | 46.5 | Very low | 125 Ų | 125 | 103.5 Ų | 103.5 | 77% | 0.767 | 62% | 0.617 | S | S | * | * | trans | -56.5 | 121.8 | 159.7 | 38.8 | 0 | 0 | 0 | 0 | 107.6 | S492 | S492-T494 PolarHBondContact O-N 3.07Š| ||
| 495 | L | 31 | Very low | 44 | Very low | 141 Ų | 141 | 109.5 Ų | 109.5 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | trans | -53 | 125 | -177.7 | -145.7 | 79.5 | 0 | 0 | 0 | 109.5 | V493 S497 | V493-L495 PolarHBondContact O-N 3.45Å; L495-S497 VanDerWaalsContact C-N 3.29Å; L495-S497 PolarHBondContact O-N 3.41Å | ||
| 496 | P | 32.4 | Very low | 42 | Very low | 101 Ų | 101 | 117 Ų | 117 | 66% | 0.656 | 67% | 0.667 | S | S | * | * | trans | -70.7 | 92 | 171.7 | 28.7 | -32.7 | 0 | 0 | 0 | 108.6 | ||||
| 497 | S | 32.8 | Very low | 39.6 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | trans | -54.2 | 151.8 | 156.1 | 50.6 | 0 | 0 | 0 | 0 | 109.6 | L495 | L495-S497 VanDerWaalsContact C-N 3.29Å; L495-S497 PolarHBondContact O-N 3.41Å | ||
| 498 | L | 31.8 | Very low | 37.6 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | trans | 81.7 | 54.5 | -179.6 | -148.6 | 78.3 | 0 | 0 | 0 | 116.3 | T500 | L498-T500 VanDerWaalsContact CD1-OG1 3.24Å; L498-T500 WeakPolarHBondContact CD1-OG1 3.43Å; L498-T500 WeakPolarHBondContact CG-OG1 3.5Å; L498-T500 PolarHBondContact O-N 2.94Å | ||
| 499 | V | 34.7 | Very low | 35.8 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | trans | -77.2 | 67 | 154.2 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 500 | T | 33.5 | Very low | 34.7 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | trans | -147 | 76.9 | 172.2 | 52.2 | 0 | 0 | 0 | 0 | 109.1 | L498 | L498-T500 VanDerWaalsContact CD1-OG1 3.24Å; L498-T500 WeakPolarHBondContact CD1-OG1 3.43Å; L498-T500 WeakPolarHBondContact CG-OG1 3.5Å; L498-T500 PolarHBondContact O-N 2.94Å | ||
| 501 | G | 34 | Very low | 33.7 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -171.1 | 124.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 502 | H | 33.7 | Very low | 33.3 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | trans | -80.6 | 160.1 | -178.2 | -125 | -93.5 | 0 | 0 | 0 | 112.3 | ||||
| 503 | N | 32.6 | Very low | 33.3 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 70.3 | 110 | 158.1 | -54.4 | -25.4 | 0 | 0 | 0 | 119.2 | ||||
| 504 | S | 35.7 | Very low | 33.8 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -148 | 117.8 | 137.4 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 505 | Q | 33.3 | Very low | 34.5 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -78.9 | -174.3 | 150.5 | -73.9 | 177.9 | -40.5 | 0 | 0 | 108.6 | ||||
| 506 | Y | 36.9 | Very low | 35.2 | Very low | 208 Ų | 208 | 131.6 Ų | 131.6 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | 84.3 | 72 | -178.9 | -62.1 | -80.2 | 0 | 0 | 0 | 117.5 | ||||
| 507 | S | 31.1 | Very low | 36.2 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | 51.2 | 124.9 | 109.2 | 69.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 508 | N | 33.1 | Very low | 37.1 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | trans | 93.4 | 132.6 | 136.8 | -61.2 | -8.6 | 0 | 0 | 0 | 121.2 | ||||
| 509 | S | 29.6 | Very low | 38.1 | Very low | 106 Ų | 106 | 120.8 Ų | 120.8 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 75.3 | 128.5 | 157.9 | -61.2 | 0 | 0 | 0 | 0 | 120 | ||
| 510 | T | 31.7 | Very low | 39.4 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 82% | 0.816 | 66% | 0.663 | S | S | * | * | trans | 50.8 | 62.5 | 158.5 | 50.7 | 0 | 0 | 0 | 0 | 117.4 | L512 | T510-L512 PolarHBondContact O-N 3.1Š| ||
| 511 | R | 30.7 | Very low | 40.7 | Very low | 243 Ų | 243 | 118.3 Ų | 118.3 | 92% | 0.917 | 67% | 0.668 | S | S | * | * | trans | -66.1 | 117.3 | 156.5 | -75.4 | -169.7 | -178.9 | -169.9 | 1.2 | 109.8 | T513 | R511-T513 PolarHBondContact O-N 3.26Š| ||
| 512 | L | 35.6 | Very low | 42 | Very low | 105 Ų | 105 | 118 Ų | 118 | 55% | 0.55 | 65% | 0.648 | S | S | . | * | trans | -56.2 | 127.4 | 159 | -104.7 | 59.8 | 0 | 0 | 0 | 109 | K487 T510 I514 | K487-L512 HydrophobicContact CD-CD2 4.25Å; T510-L512 PolarHBondContact O-N 3.1Å; L512-I514 VanDerWaalsContact C-N 3.28Å; L512-I514 PolarHBondContact O-N 3.36Å | ||
| 513 | T | 36.6 | Very low | 43 | Very low | 138 Ų | 138 | 116.7 Ų | 116.7 | 85% | 0.847 | 64% | 0.643 | S | S | * | * | trans | -78.5 | 76 | 177.2 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | R511 P515 | R511-T513 PolarHBondContact O-N 3.26Å; T513-P515 WeakPolarHBondContact O-CD 3.31Å | ||
| 514 | I | 45.7 | Very low | 43.8 | Very low | 117 Ų | 117 | 116 Ų | 116 | 60% | 0.6 | 64% | 0.638 | S | S | * | * | trans | -68.7 | 124.7 | 164.2 | -58.6 | 177.2 | 0 | 0 | 0 | 107.4 | L512 A518 | L512-I514 VanDerWaalsContact C-N 3.28Å; L512-I514 PolarHBondContact O-N 3.36Å; I514-A518 HydrophobicContact CG2-CB 3.98Å | ||
| 515 | P | 47.4 | Very low | 44.7 | Very low | 71 Ų | 71 | 113.2 Ų | 113.2 | 46% | 0.461 | 61% | 0.612 | S | S | . | * | trans | -61.7 | 138.9 | 175.4 | -23 | 34.5 | 0 | 0 | 0 | 111.1 | T513 C517 A518 | T513-P515 WeakPolarHBondContact O-CD 3.31Å; P515-C517 PolarHBondContact O-N 2.98Å; P515-C517 VanDerWaalsContact O-N 3.11Å; P515-A518 VanDerWaalsContact O-CB 3.25Å; P515-A518 WeakPolarHBondContact O-CB 3.39Å; P515-A518 PolarHBondContact O-N 3.01Å | ||
| 516 | S | 45.5 | Very low | 45.6 | Very low | 108 Ų | 108 | 106 Ų | 106 | 76% | 0.755 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -57.2 | -30.8 | -178.1 | -169.1 | 0 | 0 | 0 | 0 | 113.5 | A518 S519 | S516-A518 PolarHBondContact O-N 3.4Å; S516-S519 PolarHBondContact O-N 2.97Å; S516-S519 PolarHBondContact O-OG 3.22Å; S516-S519 VanDerWaalsContact O-OG 3.08Å |
| 517 | C | 53.8 | Low | 46.3 | Very low | 40 Ų | 40 | 99.2 Ų | 99.2 | 27% | 0.27 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -61 | -28.3 | 173.8 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | P515 S519 H520 I525 A526 C529 | P515-C517 PolarHBondContact O-N 2.98Å; P515-C517 VanDerWaalsContact O-N 3.11Å; C517-S519 PolarHBondContact O-N 3.41Å; C517-H520 WeakPolarHBondContact O-CB 3.4Å; C517-H520 PolarHBondContact O-N 2.89Å; C517-I525 HydrophobicContact CB-CG2 3.93Å; C517-A526 WeakPolarHBondContact O-CA 3.32Å; C517-C529 VanDerWaalsContact CA-SG 3.59Å; C517-C529 WeakPolarHBondContact CB-SG 3.31Å; C517-C529 WeakPolarHBondContact SG-CB 3.46Å; C517-C529 CovalentContact SG-SG 2.03Å; C517-C529 PolarHBondContact SG-SG 3.49Å |
| 518 | A | 52.5 | Low | 47.3 | Very low | 6 Ų | 6 | 97.5 Ų | 97.5 | 5% | 0.05 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -80.9 | -6.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q489 I514 P515 S516 C529 | Q489-A518 PolarHBondContact NE2-O 3.48Å; I514-A518 HydrophobicContact CG2-CB 3.98Å; P515-A518 VanDerWaalsContact O-CB 3.25Å; P515-A518 WeakPolarHBondContact O-CB 3.39Å; P515-A518 PolarHBondContact O-N 3.01Å; S516-A518 PolarHBondContact O-N 3.4Å; A518-C529 WeakPolarHBondContact CA-SG 3.47Å; A518-C529 HydrophobicContact CB-CB 3.8Å; A518-C529 PolarHBondContact N-SG 3.26Å |
| 519 | S | 52 | Low | 48.1 | Very low | 83 Ų | 83 | 91.1 Ų | 91.1 | 58% | 0.58 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -109.5 | 11.7 | 168.8 | 46.9 | 0 | 0 | 0 | 0 | 112.6 | S516 C517 | S516-S519 PolarHBondContact O-N 2.97Å; S516-S519 PolarHBondContact O-OG 3.22Å; S516-S519 VanDerWaalsContact O-OG 3.08Å; C517-S519 PolarHBondContact O-N 3.41Å |
| 520 | H | 62.7 | Low | 49.8 | Very low | 85 Ų | 85 | 89.3 Ų | 89.3 | 39% | 0.394 | 50% | 0.495 | S | S | . | . | trans | -78.3 | 138.5 | -177 | -166.5 | -85.5 | 0 | 0 | 0 | 111.6 | C517 N522 I525 | C517-H520 WeakPolarHBondContact O-CB 3.4Å; C517-H520 PolarHBondContact O-N 2.89Å; H520-N522 VanDerWaalsContact C-N 3.35Å; H520-N522 WeakPolarHBondContact ND1-CB 3.43Å; H520-N522 PolarHBondContact ND1-N 2.86Å; H520-N522 VanDerWaalsContact ND1-N 3.19Å; H520-N522 PolarHBondContact O-N 3.09Å; H520-I525 HydrophobicContact CB-CB 4.15Å; H520-I525 HydrophobicContact CB-CG2 3.65Å | ||
| 521 | S | 60.1 | Low | 51.8 | Low | 113 Ų | 113 | 83 Ų | 83 | 79% | 0.79 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -68.2 | -28.7 | -174.4 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | E523 | S521-E523 PolarHBondContact O-N 2.85Š|
| 522 | N | 62.8 | Low | 53.5 | Low | 72 Ų | 72 | 76.5 Ų | 76.5 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -72.2 | 112.9 | 168.9 | -176.9 | -20.5 | 0 | 0 | 0 | 109.7 | H520 I524 I525 A526 | H520-N522 VanDerWaalsContact C-N 3.35Å; H520-N522 WeakPolarHBondContact ND1-CB 3.43Å; H520-N522 PolarHBondContact ND1-N 2.86Å; H520-N522 VanDerWaalsContact ND1-N 3.19Å; H520-N522 PolarHBondContact O-N 3.09Å; N522-I524 PolarHBondContact O-N 3.38Å; N522-I524 WeakPolarHBondContact OD1-CB 3.47Å; N522-I524 PolarHBondContact OD1-N 2.88Å; N522-I525 HydrophobicContact CB-CB 4.4Å; N522-I525 HydrophobicContact CB-CD1 4.18Å; N522-I525 HydrophobicContact CB-CG1 4.33Å; N522-I525 WeakPolarHBondContact O-CA 3.43Å; N522-I525 PolarHBondContact O-N 3.19Å; N522-A526 PolarHBondContact O-N 3.02Å |
| 523 | E | 53 | Low | 54.9 | Low | 148 Ų | 148 | 72.6 Ų | 72.6 | 69% | 0.692 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -54.2 | -33 | -179.6 | -173.8 | 177.6 | -141.4 | 0 | 0 | 113.6 | S521 I525 A526 N527 | S521-E523 PolarHBondContact O-N 2.85Å; E523-I525 VanDerWaalsContact C-N 3.31Å; E523-I525 PolarHBondContact O-N 2.93Å; E523-A526 PolarHBondContact O-N 3.5Å; E523-N527 VanDerWaalsContact O-CB 3.28Å; E523-N527 WeakPolarHBondContact O-CB 3.31Å; E523-N527 VanDerWaalsContact O-CG 3.31Å; E523-N527 PolarHBondContact O-N 2.83Å; E523-N527 PolarHBondContact O-ND2 3.18Å |
| 524 | I | 50.8 | Low | 56.3 | Low | 131 Ų | 131 | 70.4 Ų | 70.4 | 67% | 0.672 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 175.2 | -59.5 | 171.3 | 0 | 0 | 0 | 110.4 | N522 S528 | N522-I524 PolarHBondContact O-N 3.38Å; N522-I524 WeakPolarHBondContact OD1-CB 3.47Å; N522-I524 PolarHBondContact OD1-N 2.88Å; I524-S528 WeakPolarHBondContact O-CB 3.49Å; I524-S528 PolarHBondContact O-N 3.11Å |
| 525 | I | 54.8 | Low | 57.7 | Low | 62 Ų | 62 | 65.2 Ų | 65.2 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -77.7 | -37 | 179.9 | -63.7 | 173.4 | 0 | 0 | 0 | 110.6 | C517 H520 N522 E523 S528 C529 | C517-I525 HydrophobicContact CB-CG2 3.93Å; H520-I525 HydrophobicContact CB-CB 4.15Å; H520-I525 HydrophobicContact CB-CG2 3.65Å; N522-I525 HydrophobicContact CB-CB 4.4Å; N522-I525 HydrophobicContact CB-CD1 4.18Å; N522-I525 HydrophobicContact CB-CG1 4.33Å; N522-I525 WeakPolarHBondContact O-CA 3.43Å; N522-I525 PolarHBondContact O-N 3.19Å; E523-I525 VanDerWaalsContact C-N 3.31Å; E523-I525 PolarHBondContact O-N 2.93Å; I525-S528 WeakPolarHBondContact O-CB 3.27Å; I525-S528 PolarHBondContact O-N 2.92Å; I525-S528 PolarHBondContact O-OG 2.84Å; I525-C529 PolarHBondContact O-SG 3.18Å |
| 526 | A | 51.8 | Low | 58.9 | Low | 22 Ų | 22 | 66.4 Ų | 66.4 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | C517 N522 E523 S528 C529 | C517-A526 WeakPolarHBondContact O-CA 3.32Å; N522-A526 PolarHBondContact O-N 3.02Å; E523-A526 PolarHBondContact O-N 3.5Å; A526-S528 VanDerWaalsContact C-N 3.28Å; A526-S528 PolarHBondContact O-N 2.98Å; A526-C529 PolarHBondContact O-N 2.84Å; A526-C529 PolarHBondContact O-SG 3.4Å; A526-C529 VanDerWaalsContact O-SG 3.41Å |
| 527 | N | 51.3 | Low | 60.4 | Low | 67 Ų | 67 | 63.5 Ų | 63.5 | 36% | 0.358 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.8 | -25.5 | 176.2 | -70.7 | -31.5 | 0 | 0 | 0 | 112.7 | E523 C529 Q530 G533 | E523-N527 VanDerWaalsContact O-CB 3.28Å; E523-N527 WeakPolarHBondContact O-CB 3.31Å; E523-N527 VanDerWaalsContact O-CG 3.31Å; E523-N527 PolarHBondContact O-N 2.83Å; E523-N527 PolarHBondContact O-ND2 3.18Å; N527-C529 PolarHBondContact O-N 3.04Å; N527-C529 VanDerWaalsContact O-N 3.09Å; N527-Q530 WeakPolarHBondContact O-CB 3.38Å; N527-Q530 PolarHBondContact O-N 2.82Å; N527-Q530 PolarHBondContact OD1-NE2 2.72Å; N527-Q530 VanDerWaalsContact OD1-NE2 3.13Å; N527-G533 WeakPolarHBondContact O-CA 3.08Å |
| 528 | S | 51.4 | Low | 61.9 | Low | 47 Ų | 47 | 65.9 Ų | 65.9 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.1 | 174.9 | 82.9 | 0 | 0 | 0 | 0 | 114 | I524 I525 A526 I534 | I524-S528 WeakPolarHBondContact O-CB 3.49Å; I524-S528 PolarHBondContact O-N 3.11Å; I525-S528 WeakPolarHBondContact O-CB 3.27Å; I525-S528 PolarHBondContact O-N 2.92Å; I525-S528 PolarHBondContact O-OG 2.84Å; A526-S528 VanDerWaalsContact C-N 3.28Å; A526-S528 PolarHBondContact O-N 2.98Å; S528-I534 WeakPolarHBondContact O-CG1 3.14Å; S528-I534 PolarHBondContact O-N 3.25Å |
| 529 | C | 51.5 | Low | 63.4 | Low | 17 Ų | 17 | 67.3 Ų | 67.3 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -14.3 | 179.1 | -37.3 | 0 | 0 | 0 | 0 | 113 | C517 A518 I525 A526 N527 | C517-C529 VanDerWaalsContact CA-SG 3.59Å; C517-C529 WeakPolarHBondContact CB-SG 3.31Å; C517-C529 WeakPolarHBondContact SG-CB 3.46Å; C517-C529 CovalentContact SG-SG 2.03Å; C517-C529 PolarHBondContact SG-SG 3.49Å; A518-C529 WeakPolarHBondContact CA-SG 3.47Å; A518-C529 HydrophobicContact CB-CB 3.8Å; A518-C529 PolarHBondContact N-SG 3.26Å; I525-C529 PolarHBondContact O-SG 3.18Å; A526-C529 PolarHBondContact O-N 2.84Å; A526-C529 PolarHBondContact O-SG 3.4Å; A526-C529 VanDerWaalsContact O-SG 3.41Å; N527-C529 PolarHBondContact O-N 3.04Å; N527-C529 VanDerWaalsContact O-N 3.09Å |
| 530 | Q | 63.7 | Low | 65.1 | Low | 68 Ų | 68 | 64.2 Ų | 64.2 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -79 | 155.9 | 171.2 | -55.5 | -173.7 | 24.1 | 0 | 0 | 109.8 | N527 E532 G533 I534 | N527-Q530 WeakPolarHBondContact O-CB 3.38Å; N527-Q530 PolarHBondContact O-N 2.82Å; N527-Q530 PolarHBondContact OD1-NE2 2.72Å; N527-Q530 VanDerWaalsContact OD1-NE2 3.13Å; Q530-E532 PolarHBondContact O-N 3.22Å; Q530-G533 PolarHBondContact O-N 3.31Å; Q530-I534 WeakPolarHBondContact O-CG1 3.43Å; Q530-I534 PolarHBondContact O-N 3.17Å |
| 531 | C | 74.9 | Confident | 66.5 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.5 | -20.2 | 178.6 | -69.8 | 0 | 0 | 0 | 0 | 114.6 | Y469 C472 F473 S476 L535 | Y469-C531 HydrophobicContact CD2-CB 4.13Å; Y469-C531 HydrophobicContact CE2-CB 4.19Å; C472-C531 HydrophobicContact CB-CB 3.77Å; C472-C531 WeakPolarHBondContact CB-SG 3.44Å; C472-C531 PolarHBondContact O-SG 2.98Å; C472-C531 WeakPolarHBondContact SG-CA 3.36Å; C472-C531 WeakPolarHBondContact SG-CB 3.4Å; C472-C531 CovalentContact SG-SG 2.04Å; C472-C531 PolarHBondContact SG-SG 3.36Å; F473-C531 PolarHBondContact N-SG 3.4Å; S476-C531 PolarHBondContact OG-SG 3.34Å; C531-L535 WeakPolarHBondContact O-CB 3.47Å; C531-L535 PolarHBondContact O-N 3.02Å |
| 532 | E | 66.5 | Low | 68.1 | Low | 106 Ų | 106 | 61.9 Ų | 61.9 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -75.7 | -38.4 | 173.5 | -50.4 | -141.1 | 109.3 | 0 | 0 | 111.8 | R327 Q530 F536 | R327-E532 IonicContact CZ-OE1 2.7Å; R327-E532 IonicContact NH1-OE1 2.8Å; R327-E532 PolarHBondContact NH1-OE1 2.73Å; R327-E532 IonicContact NH2-OE1 2.65Å; Q530-E532 PolarHBondContact O-N 3.22Å; E532-F536 PolarHBondContact O-N 2.92Å |
| 533 | G | 64.7 | Low | 69.4 | Low | 24 Ų | 24 | 62.1 Ų | 62.1 | 25% | 0.247 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -75.5 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N527 Q530 L535 F536 | N527-G533 WeakPolarHBondContact O-CA 3.08Å; Q530-G533 PolarHBondContact O-N 3.31Å; G533-L535 PolarHBondContact O-N 2.76Å; G533-F536 VanDerWaalsContact O-CB 3.25Å; G533-F536 WeakPolarHBondContact O-CB 3.43Å; G533-F536 PolarHBondContact O-N 2.96Å; G533-F536 VanDerWaalsContact O-N 3.14Å |
| 534 | I | 65.3 | Low | 71.4 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.3 | -39.8 | 172.8 | -61.5 | 177.7 | 0 | 0 | 0 | 110.1 | S528 Q530 | S528-I534 WeakPolarHBondContact O-CG1 3.14Å; S528-I534 PolarHBondContact O-N 3.25Å; Q530-I534 WeakPolarHBondContact O-CG1 3.43Å; Q530-I534 PolarHBondContact O-N 3.17Å |
| 535 | L | 75 | Confident | 73.4 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -84.8 | -9.5 | -178.5 | -158.1 | 71.5 | 0 | 0 | 0 | 113.6 | P465 A468 C531 G533 G537 L538 D539 L542 | P465-L535 HydrophobicContact CB-CD2 4.3Å; A468-L535 HydrophobicContact CB-CD1 3.39Å; A468-L535 HydrophobicContact CB-CD2 4.27Å; A468-L535 HydrophobicContact CB-CG 4.49Å; C531-L535 WeakPolarHBondContact O-CB 3.47Å; C531-L535 PolarHBondContact O-N 3.02Å; G533-L535 PolarHBondContact O-N 2.76Å; L535-G537 VanDerWaalsContact C-N 3.3Å; L535-G537 PolarHBondContact O-N 3.4Å; L535-G537 VanDerWaalsContact O-N 3.17Å; L535-L538 HydrophobicContact CD1-CB 3.88Å; L535-L538 HydrophobicContact CD1-CD1 4.29Å; L535-L538 HydrophobicContact CG-CB 4.43Å; L535-L538 PolarHBondContact O-N 2.78Å; L535-D539 HydrophobicContact CD2-CB 4.37Å; L535-D539 HydrophobicContact CG-CB 4.13Å; L535-D539 WeakPolarHBondContact O-CB 3.38Å; L535-D539 PolarHBondContact O-N 3.33Å; L535-L542 HydrophobicContact CD1-CD1 4.06Å |
| 536 | F | 72.2 | Confident | 75.3 | Confident | 95 Ų | 95 | 49.3 Ų | 49.3 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -44.1 | -173.4 | -178.3 | -99.7 | 0 | 0 | 0 | 113.6 | E532 G533 P540 A590 F591 | E532-F536 PolarHBondContact O-N 2.92Å; G533-F536 VanDerWaalsContact O-CB 3.25Å; G533-F536 WeakPolarHBondContact O-CB 3.43Å; G533-F536 PolarHBondContact O-N 2.96Å; G533-F536 VanDerWaalsContact O-N 3.14Å; F536-P540 VanDerWaalsContact O-CD 3.23Å; F536-P540 WeakPolarHBondContact O-CD 3.18Å; F536-A590 HydrophobicContact CE2-CB 3.89Å; F536-A590 HydrophobicContact CZ-CB 3.67Å; F536-F591 HydrophobicContact CE1-CD1 4.45Å; F536-F591 AromaticContact CE1-CE1 3.91Å; F536-F591 HydrophobicContact CE1-CE1 3.91Å; F536-F591 HydrophobicContact CE1-CE2 4.24Å; F536-F591 AromaticContact CE1-CZ 3.8Å; F536-F591 HydrophobicContact CE1-CZ 3.8Å |
| 537 | G | 76.9 | Confident | 77.4 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -19 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L535 I541 | L535-G537 VanDerWaalsContact C-N 3.3Å; L535-G537 PolarHBondContact O-N 3.4Å; L535-G537 VanDerWaalsContact O-N 3.17Å; G537-I541 WeakPolarHBondContact O-CD1 3.28Å |
| 538 | L | 85.5 | Confident | 79.4 | Confident | 91 Ų | 91 | 51.6 Ų | 51.6 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -37.8 | -175.3 | -68.4 | 175.5 | 0 | 0 | 0 | 112.9 | L535 I541 L542 | L535-L538 HydrophobicContact CD1-CB 3.88Å; L535-L538 HydrophobicContact CD1-CD1 4.29Å; L535-L538 HydrophobicContact CG-CB 4.43Å; L535-L538 PolarHBondContact O-N 2.78Å; L538-I541 WeakPolarHBondContact O-CB 3.39Å; L538-I541 PolarHBondContact O-N 3.48Å; L538-L542 HydrophobicContact CB-CD1 4.25Å; L538-L542 WeakPolarHBondContact O-CB 3.28Å; L538-L542 VanDerWaalsContact O-CG 3.29Å; L538-L542 WeakPolarHBondContact O-CG 3.43Å; L538-L542 PolarHBondContact O-N 2.97Å |
| 539 | D | 83.9 | Confident | 81.5 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -46.9 | -49.9 | 176.6 | 171.3 | 86.2 | 0 | 0 | 0 | 114.3 | P465 L535 I541 L542 K543 | P465-D539 VanDerWaalsContact CB-OD1 3.31Å; P465-D539 WeakPolarHBondContact CB-OD1 3.35Å; L535-D539 HydrophobicContact CD2-CB 4.37Å; L535-D539 HydrophobicContact CG-CB 4.13Å; L535-D539 WeakPolarHBondContact O-CB 3.38Å; L535-D539 PolarHBondContact O-N 3.33Å; D539-I541 PolarHBondContact O-N 2.97Å; D539-L542 PolarHBondContact O-N 3.39Å; D539-K543 WeakPolarHBondContact O-CB 3.44Å; D539-K543 VanDerWaalsContact O-CG 3.31Å; D539-K543 WeakPolarHBondContact O-CG 3.4Å; D539-K543 PolarHBondContact O-N 2.76Å; D539-K543 WeakPolarHBondContact OD1-CE 3.44Å; D539-K543 IonicContact OD1-NZ 3.81Å; D539-K543 PolarHBondContact OD1-NZ 3.45Å; D539-K543 WeakPolarHBondContact OD2-CD 3.42Å; D539-K543 VanDerWaalsContact OD2-CE 3.3Å; D539-K543 WeakPolarHBondContact OD2-CE 3.28Å; D539-K543 IonicContact OD2-NZ 2.61Å; D539-K543 PolarHBondContact OD2-NZ 3.26Å |
| 540 | P | 89.2 | Confident | 83.5 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 176.1 | 22.5 | -34.6 | 0 | 0 | 0 | 112.5 | F536 K543 V544 S583 V587 | F536-P540 VanDerWaalsContact O-CD 3.23Å; F536-P540 WeakPolarHBondContact O-CD 3.18Å; P540-K543 PolarHBondContact O-N 3.05Å; P540-V544 WeakPolarHBondContact O-CB 3.47Å; P540-V544 WeakPolarHBondContact O-CG2 3.44Å; P540-V544 PolarHBondContact O-N 3.32Å; P540-S583 WeakPolarHBondContact CB-OG 3.47Å; P540-V587 HydrophobicContact CB-CG2 3.59Å; P540-V587 HydrophobicContact CG-CG2 3.61Å |
| 541 | I | 92.1 | Very high | 85 | Confident | 110 Ų | 110 | 48.4 Ų | 48.4 | 56% | 0.564 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.9 | -44.1 | 178.8 | -55.8 | 175.5 | 0 | 0 | 0 | 110.2 | G537 L538 D539 V544 L545 | G537-I541 WeakPolarHBondContact O-CD1 3.28Å; L538-I541 WeakPolarHBondContact O-CB 3.39Å; L538-I541 PolarHBondContact O-N 3.48Å; D539-I541 PolarHBondContact O-N 2.97Å; I541-V544 PolarHBondContact O-N 3.12Å; I541-L545 PolarHBondContact O-N 3.14Å |
| 542 | L | 92.7 | Very high | 86 | Confident | 39 Ų | 39 | 49 Ų | 49 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 178.6 | -69.5 | 170.1 | 0 | 0 | 0 | 112.1 | F464 A468 L535 L538 D539 V544 L545 | F464-L542 HydrophobicContact CB-CB 3.87Å; F464-L542 HydrophobicContact CB-CD2 4.21Å; A468-L542 HydrophobicContact CB-CD1 3.6Å; L535-L542 HydrophobicContact CD1-CD1 4.06Å; L538-L542 HydrophobicContact CB-CD1 4.25Å; L538-L542 WeakPolarHBondContact O-CB 3.28Å; L538-L542 VanDerWaalsContact O-CG 3.29Å; L538-L542 WeakPolarHBondContact O-CG 3.43Å; L538-L542 PolarHBondContact O-N 2.97Å; D539-L542 PolarHBondContact O-N 3.39Å; L542-V544 VanDerWaalsContact C-N 3.32Å; L542-V544 PolarHBondContact O-N 3.4Å; L542-L545 WeakPolarHBondContact O-CB 3.18Å; L542-L545 PolarHBondContact O-N 3.31Å |
| 543 | K | 90.9 | Very high | 87.3 | Confident | 78 Ų | 78 | 43.9 Ų | 43.9 | 34% | 0.339 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.7 | -33.8 | 174.3 | -75 | 169.8 | 176 | 160.9 | 0 | 112.8 | P465 D539 P540 | P465-K543 HydrophobicContact CG-CG 3.96Å; D539-K543 WeakPolarHBondContact O-CB 3.44Å; D539-K543 VanDerWaalsContact O-CG 3.31Å; D539-K543 WeakPolarHBondContact O-CG 3.4Å; D539-K543 PolarHBondContact O-N 2.76Å; D539-K543 WeakPolarHBondContact OD1-CE 3.44Å; D539-K543 IonicContact OD1-NZ 3.81Å; D539-K543 PolarHBondContact OD1-NZ 3.45Å; D539-K543 WeakPolarHBondContact OD2-CD 3.42Å; D539-K543 VanDerWaalsContact OD2-CE 3.3Å; D539-K543 WeakPolarHBondContact OD2-CE 3.28Å; D539-K543 IonicContact OD2-NZ 2.61Å; D539-K543 PolarHBondContact OD2-NZ 3.26Å; P540-K543 PolarHBondContact O-N 3.05Å |
| 544 | V | 94.2 | Very high | 88.6 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 14% | 0.139 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77 | -26.8 | 177.7 | 162.1 | 0 | 0 | 0 | 0 | 113.2 | P540 I541 L542 P546 S547 W548 F580 S583 | P540-V544 WeakPolarHBondContact O-CB 3.47Å; P540-V544 WeakPolarHBondContact O-CG2 3.44Å; P540-V544 PolarHBondContact O-N 3.32Å; I541-V544 PolarHBondContact O-N 3.12Å; L542-V544 VanDerWaalsContact C-N 3.32Å; L542-V544 PolarHBondContact O-N 3.4Å; V544-P546 VanDerWaalsContact C-CD 3.49Å; V544-P546 VanDerWaalsContact O-N 3.13Å; V544-S547 WeakPolarHBondContact O-CA 3.45Å; V544-S547 WeakPolarHBondContact O-CB 3.49Å; V544-S547 PolarHBondContact O-N 2.75Å; V544-W548 PolarHBondContact O-N 3.5Å; V544-F580 HydrophobicContact CG1-CD1 3.47Å; V544-F580 VanDerWaalsContact CG1-CD1 3.47Å; V544-F580 HydrophobicContact CG1-CE1 3.71Å; V544-S583 WeakPolarHBondContact CG2-OG 3.34Å |
| 545 | L | 93.9 | Very high | 89.9 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -51.4 | -39.3 | -169.5 | -173 | 61.9 | 0 | 0 | 0 | 115.2 | F464 I541 L542 W548 F549 | F464-L545 HydrophobicContact CD1-CD2 3.91Å; F464-L545 HydrophobicContact CE1-CD2 4.02Å; I541-L545 PolarHBondContact O-N 3.14Å; L542-L545 WeakPolarHBondContact O-CB 3.18Å; L542-L545 PolarHBondContact O-N 3.31Å; L545-W548 WeakPolarHBondContact O-CB 3.47Å; L545-W548 PolarHBondContact O-N 2.92Å; L545-F549 HydrophobicContact CD1-CE1 3.86Å; L545-F549 HydrophobicContact CD1-CE2 4.31Å; L545-F549 HydrophobicContact CD1-CZ 3.71Å; L545-F549 HydrophobicContact CD2-CE2 4.25Å; L545-F549 HydrophobicContact CD2-CZ 3.95Å; L545-F549 HydrophobicContact CG-CE1 4.22Å; L545-F549 HydrophobicContact CG-CE2 3.75Å; L545-F549 HydrophobicContact CG-CZ 3.58Å; L545-F549 WeakPolarHBondContact O-CD2 3.45Å; L545-F549 WeakPolarHBondContact O-CG 3.3Å; L545-F549 PolarHBondContact O-N 2.92Å |
| 546 | P | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 173.1 | -25.8 | 38 | 0 | 0 | 0 | 113.8 | L457 T458 F464 V544 W548 F549 R550 | L457-P546 HydrophobicContact CB-CB 4.1Å; L457-P546 HydrophobicContact CB-CG 4.48Å; L457-P546 VanDerWaalsContact O-CB 3.25Å; L457-P546 WeakPolarHBondContact O-CB 3.49Å; L457-P546 VanDerWaalsContact O-CG 3.23Å; L457-P546 WeakPolarHBondContact O-CG 3.45Å; T458-P546 HydrophobicContact CG2-CB 4.21Å; F464-P546 HydrophobicContact CD2-CG 3.95Å; F464-P546 HydrophobicContact CE2-CG 3.56Å; F464-P546 HydrophobicContact CZ-CG 4.31Å; V544-P546 VanDerWaalsContact C-CD 3.49Å; V544-P546 VanDerWaalsContact O-N 3.13Å; P546-W548 VanDerWaalsContact C-N 3.27Å; P546-W548 PolarHBondContact O-N 3.05Å; P546-F549 PolarHBondContact O-N 3.23Å; P546-R550 WeakPolarHBondContact O-CG 3.28Å; P546-R550 PolarHBondContact O-N 3.31Å |
| 547 | S | 94.7 | Very high | 91.5 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -34.5 | 175.4 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | V544 R550 F551 A579 | V544-S547 WeakPolarHBondContact O-CA 3.45Å; V544-S547 WeakPolarHBondContact O-CB 3.49Å; V544-S547 PolarHBondContact O-N 2.75Å; S547-R550 PolarHBondContact O-N 2.85Å; S547-F551 VanDerWaalsContact O-CB 3.32Å; S547-F551 WeakPolarHBondContact O-CB 3.26Å; S547-F551 PolarHBondContact O-N 3.41Å; S547-A579 WeakPolarHBondContact OG-CB 3.49Å |
| 548 | W | 94.7 | Very high | 92.2 | Very high | 128 Ų | 128 | 43.9 Ų | 43.9 | 49% | 0.485 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -45 | 171.4 | 174.5 | -103.5 | 0 | 0 | 0 | 112.4 | V544 L545 P546 R550 F551 A552 F580 | V544-W548 PolarHBondContact O-N 3.5Å; L545-W548 WeakPolarHBondContact O-CB 3.47Å; L545-W548 PolarHBondContact O-N 2.92Å; P546-W548 VanDerWaalsContact C-N 3.27Å; P546-W548 PolarHBondContact O-N 3.05Å; W548-R550 VanDerWaalsContact C-N 3.3Å; W548-R550 PolarHBondContact O-N 3.08Å; W548-F551 AromaticContact CE3-CD1 3.86Å; W548-F551 HydrophobicContact CE3-CD1 3.86Å; W548-F551 HydrophobicContact CE3-CE1 4.34Å; W548-F551 HydrophobicContact CH2-CD1 4.43Å; W548-F551 HydrophobicContact CH2-CE1 4.34Å; W548-F551 AromaticContact CZ3-CD1 3.73Å; W548-F551 HydrophobicContact CZ3-CD1 3.73Å; W548-F551 AromaticContact CZ3-CE1 3.76Å; W548-F551 HydrophobicContact CZ3-CE1 3.76Å; W548-F551 PolarHBondContact O-N 3.1Å; W548-A552 WeakPolarHBondContact O-CB 3.41Å; W548-A552 PolarHBondContact O-N 3.15Å; W548-F580 HydrophobicContact CB-CE1 4.3Å; W548-F580 HydrophobicContact CB-CZ 4.47Å; W548-F580 HydrophobicContact CE3-CE1 4.47Å; W548-F580 HydrophobicContact CE3-CE2 4.19Å; W548-F580 AromaticContact CE3-CZ 3.78Å; W548-F580 HydrophobicContact CE3-CZ 3.78Å |
| 549 | F | 94.5 | Very high | 92.4 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 174.1 | -60.8 | -39.9 | 0 | 0 | 0 | 112 | I438 I439 L545 P546 A552 Q553 | I438-F549 HydrophobicContact CG2-CB 3.71Å; I438-F549 HydrophobicContact CG2-CD2 3.76Å; I438-F549 HydrophobicContact CG2-CG 3.82Å; I439-F549 HydrophobicContact CG1-CE1 4.44Å; I439-F549 HydrophobicContact CG1-CE2 4.45Å; I439-F549 HydrophobicContact CG1-CZ 3.99Å; L545-F549 HydrophobicContact CD1-CE1 3.86Å; L545-F549 HydrophobicContact CD1-CE2 4.31Å; L545-F549 HydrophobicContact CD1-CZ 3.71Å; L545-F549 HydrophobicContact CD2-CE2 4.25Å; L545-F549 HydrophobicContact CD2-CZ 3.95Å; L545-F549 HydrophobicContact CG-CE1 4.22Å; L545-F549 HydrophobicContact CG-CE2 3.75Å; L545-F549 HydrophobicContact CG-CZ 3.58Å; L545-F549 WeakPolarHBondContact O-CD2 3.45Å; L545-F549 WeakPolarHBondContact O-CG 3.3Å; L545-F549 PolarHBondContact O-N 2.92Å; P546-F549 PolarHBondContact O-N 3.23Å; F549-A552 PolarHBondContact O-N 3.35Å; F549-Q553 WeakPolarHBondContact O-CB 3.45Å; F549-Q553 VanDerWaalsContact O-CG 3.31Å; F549-Q553 WeakPolarHBondContact O-CG 3.33Å; F549-Q553 PolarHBondContact O-N 3.09Å |
| 550 | R | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -45.8 | 176.9 | -65.9 | -64.6 | -71.8 | 137.7 | -9.8 | 112.7 | F451 A454 D455 T458 P546 S547 W548 A552 Q553 C554 Y576 | F451-R550 VanDerWaalsContact CG-NH1 3.32Å; A454-R550 HydrophobicContact CB-CG 4.25Å; D455-R550 IonicContact OD1-CZ 3.6Å; D455-R550 IonicContact OD1-NE 2.89Å; D455-R550 PolarHBondContact OD1-NE 3.45Å; D455-R550 IonicContact OD1-NH2 3.47Å; D455-R550 PolarHBondContact OD1-NH2 3.37Å; D455-R550 IonicContact OD2-CZ 3.73Å; D455-R550 IonicContact OD2-NE 2.78Å; D455-R550 IonicContact OD2-NH2 3.2Å; D455-R550 PolarHBondContact OD2-NH2 2.97Å; T458-R550 HydrophobicContact CG2-CG 3.81Å; P546-R550 WeakPolarHBondContact O-CG 3.28Å; P546-R550 PolarHBondContact O-N 3.31Å; S547-R550 PolarHBondContact O-N 2.85Å; W548-R550 VanDerWaalsContact C-N 3.3Å; W548-R550 PolarHBondContact O-N 3.08Å; R550-A552 VanDerWaalsContact C-N 3.34Å; R550-A552 PolarHBondContact O-N 3.31Å; R550-Q553 PolarHBondContact O-N 3.2Å; R550-C554 WeakPolarHBondContact O-CB 3.26Å; R550-C554 PolarHBondContact O-N 3.15Å; R550-C554 PolarHBondContact O-SG 3.15Å; R550-Y576 HydrophobicContact CB-CD1 3.63Å; R550-Y576 HydrophobicContact CB-CD2 3.42Å; R550-Y576 VanDerWaalsContact CB-CD2 3.42Å; R550-Y576 HydrophobicContact CB-CE1 3.81Å; R550-Y576 HydrophobicContact CB-CE2 3.6Å; R550-Y576 HydrophobicContact CB-CG 3.47Å; R550-Y576 VanDerWaalsContact CB-CG 3.47Å; R550-Y576 HydrophobicContact CG-CD1 4.11Å; R550-Y576 HydrophobicContact CG-CE1 3.92Å; R550-Y576 HydrophobicContact CG-CE2 4.33Å; R550-Y576 HydrophobicContact CG-CG 4.43Å; R550-Y576 PolarHBondContact NE-OH 3.26Å; R550-Y576 PolarHBondContact NH2-OH 2.52Å; R550-Y576 VanDerWaalsContact NH2-OH 3.12Å |
| 551 | F | 95.1 | Very high | 92.2 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 19% | 0.193 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.3 | -50.6 | 172.1 | 174.6 | -104.2 | 0 | 0 | 0 | 111.2 | S547 W548 Q553 C554 L555 A573 F580 | S547-F551 VanDerWaalsContact O-CB 3.32Å; S547-F551 WeakPolarHBondContact O-CB 3.26Å; S547-F551 PolarHBondContact O-N 3.41Å; W548-F551 AromaticContact CE3-CD1 3.86Å; W548-F551 HydrophobicContact CE3-CD1 3.86Å; W548-F551 HydrophobicContact CE3-CE1 4.34Å; W548-F551 HydrophobicContact CH2-CD1 4.43Å; W548-F551 HydrophobicContact CH2-CE1 4.34Å; W548-F551 AromaticContact CZ3-CD1 3.73Å; W548-F551 HydrophobicContact CZ3-CD1 3.73Å; W548-F551 AromaticContact CZ3-CE1 3.76Å; W548-F551 HydrophobicContact CZ3-CE1 3.76Å; W548-F551 PolarHBondContact O-N 3.1Å; F551-Q553 PolarHBondContact O-N 3.29Å; F551-C554 PolarHBondContact O-N 3.38Å; F551-L555 HydrophobicContact CD1-CD1 4.18Å; F551-L555 HydrophobicContact CE1-CD1 3.62Å; F551-L555 HydrophobicContact CE2-CD1 4.09Å; F551-L555 HydrophobicContact CZ-CD1 3.57Å; F551-L555 HydrophobicContact CZ-CG 4.45Å; F551-L555 PolarHBondContact O-N 3.36Å; F551-A573 HydrophobicContact CD2-CB 3.95Å; F551-A573 WeakPolarHBondContact CD2-O 3.42Å; F551-A573 HydrophobicContact CE2-CB 4.25Å; F551-F580 HydrophobicContact CB-CE2 4.48Å; F551-F580 HydrophobicContact CB-CZ 3.88Å; F551-F580 HydrophobicContact CD1-CE2 4.15Å; F551-F580 HydrophobicContact CD1-CZ 4.14Å; F551-F580 HydrophobicContact CD2-CE2 4.21Å; F551-F580 HydrophobicContact CD2-CZ 4.42Å; F551-F580 HydrophobicContact CE1-CE2 4.41Å; F551-F580 HydrophobicContact CE2-CE2 4.47Å; F551-F580 HydrophobicContact CG-CE2 4.05Å; F551-F580 AromaticContact CG-CZ 3.92Å; F551-F580 HydrophobicContact CG-CZ 3.92Å |
| 552 | A | 94.7 | Very high | 91.7 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P442 W548 F549 R550 R556 | P442-A552 HydrophobicContact CG-CB 4.09Å; W548-A552 WeakPolarHBondContact O-CB 3.41Å; W548-A552 PolarHBondContact O-N 3.15Å; F549-A552 PolarHBondContact O-N 3.35Å; R550-A552 VanDerWaalsContact C-N 3.34Å; R550-A552 PolarHBondContact O-N 3.31Å; A552-R556 VanDerWaalsContact O-CB 3.29Å; A552-R556 WeakPolarHBondContact O-CB 3.48Å; A552-R556 PolarHBondContact O-N 2.96Å |
| 553 | Q | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 173.6 | -78.1 | 179.9 | -13.4 | 0 | 0 | 112.2 | A441 V446 D450 F549 R550 F551 R556 R557 | A441-Q553 HydrophobicContact CB-CG 3.51Å; V446-Q553 HydrophobicContact CG1-CB 4.37Å; V446-Q553 HydrophobicContact CG1-CG 4.22Å; V446-Q553 HydrophobicContact CG2-CB 4.17Å; V446-Q553 HydrophobicContact CG2-CG 4.03Å; D450-Q553 PolarHBondContact O-NE2 3.48Å; F549-Q553 WeakPolarHBondContact O-CB 3.45Å; F549-Q553 VanDerWaalsContact O-CG 3.31Å; F549-Q553 WeakPolarHBondContact O-CG 3.33Å; F549-Q553 PolarHBondContact O-N 3.09Å; R550-Q553 PolarHBondContact O-N 3.2Å; F551-Q553 PolarHBondContact O-N 3.29Å; Q553-R556 PolarHBondContact O-N 2.82Å; Q553-R557 WeakPolarHBondContact O-CG 3.18Å; Q553-R557 PolarHBondContact O-N 3.22Å |
| 554 | C | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -46.6 | -179.7 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | R550 F551 R556 R557 Y558 H569 N572 A573 | R550-C554 WeakPolarHBondContact O-CB 3.26Å; R550-C554 PolarHBondContact O-N 3.15Å; R550-C554 PolarHBondContact O-SG 3.15Å; F551-C554 PolarHBondContact O-N 3.38Å; C554-R556 PolarHBondContact O-N 2.68Å; C554-R557 PolarHBondContact O-N 2.96Å; C554-Y558 PolarHBondContact O-N 3.23Å; C554-H569 WeakPolarHBondContact CB-O 3.41Å; C554-N572 PolarHBondContact SG-ND2 2.93Å; C554-N572 VanDerWaalsContact SG-ND2 3.43Å; C554-A573 HydrophobicContact CB-CB 3.76Å |
| 555 | L | 93 | Very high | 90.2 | Very high | 65 Ų | 65 | 55 Ų | 55 | 34% | 0.34 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 172.6 | -67.3 | -177.2 | 0 | 0 | 0 | 112.5 | F551 Y558 R559 L570 A573 | F551-L555 HydrophobicContact CD1-CD1 4.18Å; F551-L555 HydrophobicContact CE1-CD1 3.62Å; F551-L555 HydrophobicContact CE2-CD1 4.09Å; F551-L555 HydrophobicContact CZ-CD1 3.57Å; F551-L555 HydrophobicContact CZ-CG 4.45Å; F551-L555 PolarHBondContact O-N 3.36Å; L555-Y558 PolarHBondContact O-N 2.81Å; L555-R559 PolarHBondContact O-N 3.46Å; L555-L570 HydrophobicContact CD2-CD1 3.98Å; L555-A573 HydrophobicContact CD2-CB 3.92Å; L555-A573 HydrophobicContact CG-CB 4.14Å |
| 556 | R | 92.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 174 | 177.3 | 70.7 | -147.2 | -160.5 | 9.6 | 111.2 | P442 A444 V446 A552 Q553 C554 R559 D560 | P442-R556 WeakPolarHBondContact O-CD 3.37Å; P442-R556 PolarHBondContact O-NH1 3.45Å; A444-R556 WeakPolarHBondContact O-CG 3.34Å; V446-R556 HydrophobicContact CG2-CB 4.4Å; V446-R556 HydrophobicContact CG2-CG 4.14Å; A552-R556 VanDerWaalsContact O-CB 3.29Å; A552-R556 WeakPolarHBondContact O-CB 3.48Å; A552-R556 PolarHBondContact O-N 2.96Å; Q553-R556 PolarHBondContact O-N 2.82Å; C554-R556 PolarHBondContact O-N 2.68Å; R556-R559 PolarHBondContact O-N 3.5Å; R556-D560 IonicContact CZ-OD1 3.56Å; R556-D560 IonicContact CZ-OD2 3.23Å; R556-D560 IonicContact NE-OD1 3.24Å; R556-D560 PolarHBondContact NE-OD1 3.18Å; R556-D560 IonicContact NE-OD2 3.26Å; R556-D560 PolarHBondContact NE-OD2 2.98Å; R556-D560 VanDerWaalsContact NH2-CG 3.34Å; R556-D560 IonicContact NH2-OD1 2.67Å; R556-D560 PolarHBondContact NH2-OD1 3.21Å; R556-D560 IonicContact NH2-OD2 2.78Å; R556-D560 PolarHBondContact NH2-OD2 2.92Å; R556-D560 WeakPolarHBondContact O-CB 3.18Å; R556-D560 VanDerWaalsContact O-CG 3.22Å; R556-D560 PolarHBondContact O-N 3.46Å |
| 557 | R | 88.8 | Confident | 89.2 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 178.1 | -72 | -173 | 64.8 | 155.6 | 0.9 | 112.2 | V446 Q553 C554 R559 D560 M561 H569 | V446-R557 HydrophobicContact CB-CG 3.86Å; V446-R557 HydrophobicContact CG1-CG 4.33Å; V446-R557 HydrophobicContact CG2-CG 4.24Å; Q553-R557 WeakPolarHBondContact O-CG 3.18Å; Q553-R557 PolarHBondContact O-N 3.22Å; C554-R557 PolarHBondContact O-N 2.96Å; R557-R559 PolarHBondContact O-N 2.84Å; R557-D560 CarbonylContact O-C 3.39Å; R557-D560 PolarHBondContact O-N 3.29Å; R557-D560 VanDerWaalsContact O-N 3.1Å; R557-M561 WeakPolarHBondContact O-CG 3.36Å; R557-M561 PolarHBondContact O-N 3.31Å; R557-M561 VanDerWaalsContact O-N 3.15Å; R557-H569 HydrophobicContact CB-CB 4.45Å; R557-H569 VanDerWaalsContact CB-CD2 3.43Å; R557-H569 WeakPolarHBondContact CB-CD2 3.48Å; R557-H569 PolarHBondContact NE-CE1 2.89Å; R557-H569 PolarHBondContact NE-NE2 3.12Å; R557-H569 PolarHBondContact NH2-CE1 3.1Å; R557-H569 PolarHBondContact NH2-NE2 3.05Å |
| 558 | Y | 90.4 | Very high | 88.8 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 26% | 0.263 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 173.3 | 179.7 | -112.5 | 0 | 0 | 0 | 112.4 | C554 L555 D560 M561 K564 K565 L570 | C554-Y558 PolarHBondContact O-N 3.23Å; L555-Y558 PolarHBondContact O-N 2.81Å; Y558-D560 VanDerWaalsContact C-N 3.27Å; Y558-D560 PolarHBondContact O-N 2.91Å; Y558-M561 HydrophobicContact CD2-SD 4.47Å; Y558-M561 PolarHBondContact O-N 2.97Å; Y558-K564 HydrophobicContact CE2-CB 4.33Å; Y558-K564 PolarHBondContact O-NZ 2.97Å; Y558-K565 WeakPolarHBondContact CD2-O 3.49Å; Y558-K565 WeakPolarHBondContact CE2-O 3.42Å; Y558-L570 HydrophobicContact CD2-CB 4.29Å; Y558-L570 HydrophobicContact CE2-CB 4.45Å; Y558-L570 HydrophobicContact CG-CB 4.46Å |
| 559 | R | 90.1 | Very high | 88.5 | Confident | 145 Ų | 145 | 55.7 Ų | 55.7 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -32 | 171.9 | -177.9 | 170.3 | 60.4 | 164 | -10.7 | 112.9 | P442 L555 R556 R557 K564 | P442-R559 PolarHBondContact O-NH2 3.33Å; L555-R559 PolarHBondContact O-N 3.46Å; R556-R559 PolarHBondContact O-N 3.5Å; R557-R559 PolarHBondContact O-N 2.84Å; R559-K564 VanDerWaalsContact C-NZ 3.31Å; R559-K564 PolarHBondContact O-NZ 2.7Å |
| 560 | D | 87.4 | Confident | 88.4 | Confident | 60 Ų | 60 | 58 Ų | 58 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -87.2 | -4.8 | -177.3 | -71.1 | -4.2 | 0 | 0 | 0 | 115.2 | R556 R557 Y558 | R556-D560 IonicContact CZ-OD1 3.56Å; R556-D560 IonicContact CZ-OD2 3.23Å; R556-D560 IonicContact NE-OD1 3.24Å; R556-D560 PolarHBondContact NE-OD1 3.18Å; R556-D560 IonicContact NE-OD2 3.26Å; R556-D560 PolarHBondContact NE-OD2 2.98Å; R556-D560 VanDerWaalsContact NH2-CG 3.34Å; R556-D560 IonicContact NH2-OD1 2.67Å; R556-D560 PolarHBondContact NH2-OD1 3.21Å; R556-D560 IonicContact NH2-OD2 2.78Å; R556-D560 PolarHBondContact NH2-OD2 2.92Å; R556-D560 WeakPolarHBondContact O-CB 3.18Å; R556-D560 VanDerWaalsContact O-CG 3.22Å; R556-D560 PolarHBondContact O-N 3.46Å; R557-D560 CarbonylContact O-C 3.39Å; R557-D560 PolarHBondContact O-N 3.29Å; R557-D560 VanDerWaalsContact O-N 3.1Å; Y558-D560 VanDerWaalsContact C-N 3.27Å; Y558-D560 PolarHBondContact O-N 2.91Å |
| 561 | M | 82.4 | Confident | 88.3 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | trans | -74.2 | 133.6 | 172.2 | -65.2 | 172.5 | 76.5 | 0 | 0 | 110.9 | R557 Y558 V563 K564 K565 | R557-M561 WeakPolarHBondContact O-CG 3.36Å; R557-M561 PolarHBondContact O-N 3.31Å; R557-M561 VanDerWaalsContact O-N 3.15Å; Y558-M561 HydrophobicContact CD2-SD 4.47Å; Y558-M561 PolarHBondContact O-N 2.97Å; M561-V563 WeakPolarHBondContact CB-O 3.45Å; M561-K564 PolarHBondContact O-NZ 3.26Å; M561-K565 HydrophobicContact CE-CB 4.1Å | ||
| 562 | D | 81.1 | Confident | 88.2 | Confident | 129 Ų | 129 | 59.8 Ų | 59.8 | 69% | 0.69 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -65.1 | -44.2 | 175 | -55.1 | -58.7 | 0 | 0 | 0 | 110.7 | H786 | D562-H786 IonicContact OD2-CD2 2.74Š|
| 563 | V | 81.2 | Confident | 88.2 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 38% | 0.382 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -100.2 | 122 | 171.5 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | M561 K565 | M561-V563 WeakPolarHBondContact CB-O 3.45Å; V563-K565 HydrophobicContact CG1-CG 4.31Å; V563-K565 PolarHBondContact O-N 3.09Å; V563-K565 VanDerWaalsContact O-N 3.17Å |
| 564 | K | 82.5 | Confident | 88.3 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | trans | -74.2 | 105.6 | 179.6 | -59.2 | -51.6 | 178.9 | -154.8 | 0 | 111.8 | Y558 R559 M561 | Y558-K564 HydrophobicContact CE2-CB 4.33Å; Y558-K564 PolarHBondContact O-NZ 2.97Å; R559-K564 VanDerWaalsContact C-NZ 3.31Å; R559-K564 PolarHBondContact O-NZ 2.7Å; M561-K564 PolarHBondContact O-NZ 3.26Å | ||
| 565 | K | 82.8 | Confident | 88.4 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | trans | -120.3 | 131 | 167.4 | -57.7 | -166.8 | -179 | -168.6 | 0 | 109.8 | Y558 M561 V563 | Y558-K565 WeakPolarHBondContact CD2-O 3.49Å; Y558-K565 WeakPolarHBondContact CE2-O 3.42Å; M561-K565 HydrophobicContact CE-CB 4.1Å; V563-K565 HydrophobicContact CG1-CG 4.31Å; V563-K565 PolarHBondContact O-N 3.09Å; V563-K565 VanDerWaalsContact O-N 3.17Å | ||
| 566 | A | 81.8 | Confident | 88.5 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -68.8 | -39.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P568 H569 L570 L571 | A566-P568 CarbonylContact O-C 3.53Å; A566-H569 PolarHBondContact O-N 2.97Å; A566-L570 HydrophobicContact CB-CB 4.12Å; A566-L570 HydrophobicContact CB-CD2 4.06Å; A566-L570 WeakPolarHBondContact O-CB 3.41Å; A566-L570 PolarHBondContact O-N 3.07Å; A566-L571 PolarHBondContact O-N 3.46Å | ||
| 567 | N | 85.2 | Confident | 88.7 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 129.6 | 169.5 | -173 | -11.6 | 0 | 0 | 0 | 109.4 | L571 | N567-L571 HydrophobicContact CB-CD1 3.93Š|
| 568 | P | 85.6 | Confident | 89.1 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.5 | -16 | -1.6 | 33.9 | -31.8 | 0 | 0 | 0 | 114.2 | A566 N572 W615 M619 | A566-P568 CarbonylContact O-C 3.53Å; P568-N572 VanDerWaalsContact O-CB 3.29Å; P568-N572 WeakPolarHBondContact O-CB 3.35Å; P568-N572 PolarHBondContact O-N 3.17Å; P568-W615 HydrophobicContact CB-CH2 4.39Å; P568-M619 HydrophobicContact CB-CE 4.12Å |
| 569 | H | 89.2 | Confident | 89.3 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.5 | -36.4 | -161.5 | -67.1 | -22.9 | 0 | 0 | 0 | 115 | C554 R557 A566 A573 | C554-H569 WeakPolarHBondContact CB-O 3.41Å; R557-H569 HydrophobicContact CB-CB 4.45Å; R557-H569 VanDerWaalsContact CB-CD2 3.43Å; R557-H569 WeakPolarHBondContact CB-CD2 3.48Å; R557-H569 PolarHBondContact NE-CE1 2.89Å; R557-H569 PolarHBondContact NE-NE2 3.12Å; R557-H569 PolarHBondContact NH2-CE1 3.1Å; R557-H569 PolarHBondContact NH2-NE2 3.05Å; A566-H569 PolarHBondContact O-N 2.97Å; H569-A573 PolarHBondContact O-N 3.41Å |
| 570 | L | 92 | Very high | 89.6 | Confident | 70 Ų | 70 | 46.9 Ų | 46.9 | 37% | 0.366 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -76.1 | -39.6 | 177 | -172.2 | 61.9 | 0 | 0 | 0 | 111.4 | L555 Y558 A566 N572 A573 G574 | L555-L570 HydrophobicContact CD2-CD1 3.98Å; Y558-L570 HydrophobicContact CD2-CB 4.29Å; Y558-L570 HydrophobicContact CE2-CB 4.45Å; Y558-L570 HydrophobicContact CG-CB 4.46Å; A566-L570 HydrophobicContact CB-CB 4.12Å; A566-L570 HydrophobicContact CB-CD2 4.06Å; A566-L570 WeakPolarHBondContact O-CB 3.41Å; A566-L570 PolarHBondContact O-N 3.07Å; L570-N572 PolarHBondContact O-N 3.44Å; L570-A573 WeakPolarHBondContact O-CB 3.32Å; L570-A573 PolarHBondContact O-N 2.68Å; L570-G574 PolarHBondContact O-N 3.37Å |
| 571 | L | 93.5 | Very high | 90 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 40% | 0.403 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 174.6 | -61.7 | 178.5 | 0 | 0 | 0 | 111.2 | A566 N567 A573 G574 K575 Y611 W615 | A566-L571 PolarHBondContact O-N 3.46Å; N567-L571 HydrophobicContact CB-CD1 3.93Å; L571-A573 VanDerWaalsContact C-N 3.27Å; L571-A573 PolarHBondContact O-N 3.16Å; L571-G574 CarbonylContact O-C 3.59Å; L571-G574 WeakPolarHBondContact O-CA 3.22Å; L571-G574 PolarHBondContact O-N 2.85Å; L571-K575 PolarHBondContact O-N 2.68Å; L571-Y611 PolarHBondContact O-OH 2.74Å; L571-W615 HydrophobicContact CB-CH2 4.13Å; L571-W615 HydrophobicContact CB-CZ3 3.81Å |
| 572 | N | 92.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 177.1 | -156.4 | 17.2 | 0 | 0 | 0 | 112.1 | F451 C554 P568 L570 K575 Y576 W615 | F451-N572 WeakPolarHBondContact CZ-ND2 3.42Å; C554-N572 PolarHBondContact SG-ND2 2.93Å; C554-N572 VanDerWaalsContact SG-ND2 3.43Å; P568-N572 VanDerWaalsContact O-CB 3.29Å; P568-N572 WeakPolarHBondContact O-CB 3.35Å; P568-N572 PolarHBondContact O-N 3.17Å; L570-N572 PolarHBondContact O-N 3.44Å; N572-K575 WeakPolarHBondContact O-CB 3.23Å; N572-K575 PolarHBondContact O-N 3.09Å; N572-K575 WeakPolarHBondContact OD1-CE 3.25Å; N572-K575 PolarHBondContact OD1-NZ 2.83Å; N572-Y576 WeakPolarHBondContact O-CD2 3.49Å; N572-Y576 WeakPolarHBondContact O-CE2 3.23Å; N572-Y576 PolarHBondContact O-N 2.81Å; N572-Y576 WeakPolarHBondContact OD1-CE2 3.38Å; N572-Y576 PolarHBondContact OD1-OH 3.12Å; N572-W615 HydrophobicContact CB-CH2 3.45Å; N572-W615 VanDerWaalsContact CB-CH2 3.45Å; N572-W615 HydrophobicContact CB-CZ2 3.52Å; N572-W615 HydrophobicContact CB-CZ3 4.12Å; N572-W615 VanDerWaalsContact CG-CZ2 3.46Å |
| 573 | A | 95.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F551 C554 L555 H569 L570 L571 K575 Y576 S577 | F551-A573 HydrophobicContact CD2-CB 3.95Å; F551-A573 WeakPolarHBondContact CD2-O 3.42Å; F551-A573 HydrophobicContact CE2-CB 4.25Å; C554-A573 HydrophobicContact CB-CB 3.76Å; L555-A573 HydrophobicContact CD2-CB 3.92Å; L555-A573 HydrophobicContact CG-CB 4.14Å; H569-A573 PolarHBondContact O-N 3.41Å; L570-A573 WeakPolarHBondContact O-CB 3.32Å; L570-A573 PolarHBondContact O-N 2.68Å; L571-A573 VanDerWaalsContact C-N 3.27Å; L571-A573 PolarHBondContact O-N 3.16Å; A573-K575 VanDerWaalsContact C-N 3.26Å; A573-K575 PolarHBondContact O-N 3.28Å; A573-Y576 PolarHBondContact O-N 3.2Å; A573-Y576 VanDerWaalsContact O-N 3.12Å; A573-S577 PolarHBondContact O-N 3.29Å; A573-S577 VanDerWaalsContact O-N 3.08Å |
| 574 | G | 95.1 | Very high | 91.8 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.1 | -34.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | L570 L571 S577 | L570-G574 PolarHBondContact O-N 3.37Å; L571-G574 CarbonylContact O-C 3.59Å; L571-G574 WeakPolarHBondContact O-CA 3.22Å; L571-G574 PolarHBondContact O-N 2.85Å; G574-S577 WeakPolarHBondContact CA-OG 3.46Å; G574-S577 PolarHBondContact O-OG 2.78Å |
| 575 | K | 95.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -50.8 | 172.5 | -175.7 | 179.2 | 80.5 | 175.9 | 0 | 111.1 | L571 N572 A573 T578 Y611 T612 W615 D616 D620 | L571-K575 PolarHBondContact O-N 2.68Å; N572-K575 WeakPolarHBondContact O-CB 3.23Å; N572-K575 PolarHBondContact O-N 3.09Å; N572-K575 WeakPolarHBondContact OD1-CE 3.25Å; N572-K575 PolarHBondContact OD1-NZ 2.83Å; A573-K575 VanDerWaalsContact C-N 3.26Å; A573-K575 PolarHBondContact O-N 3.28Å; K575-T578 PolarHBondContact O-N 3.12Å; K575-T578 PolarHBondContact O-OG1 3.11Å; K575-Y611 HydrophobicContact CB-CD1 4.4Å; K575-Y611 HydrophobicContact CB-CE1 4.14Å; K575-T612 HydrophobicContact CD-CG2 4.07Å; K575-T612 HydrophobicContact CG-CG2 3.69Å; K575-W615 HydrophobicContact CB-CE3 4.36Å; K575-W615 HydrophobicContact CD-CB 3.42Å; K575-W615 VanDerWaalsContact CD-CB 3.42Å; K575-W615 HydrophobicContact CD-CD2 3.71Å; K575-W615 HydrophobicContact CD-CE3 4.07Å; K575-W615 HydrophobicContact CD-CG 3.38Å; K575-D616 IonicContact NZ-OD1 3.83Å; K575-D620 IonicContact NZ-OD2 3.63Å |
| 576 | Y | 95 | Very high | 92.8 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.4 | -26.7 | -176.5 | -61.3 | -66.2 | 0 | 0 | 0 | 113.9 | D455 T458 R550 N572 A573 T578 A579 | D455-Y576 PolarHBondContact OD1-OH 2.78Å; T458-Y576 HydrophobicContact CG2-CE1 4.32Å; R550-Y576 HydrophobicContact CB-CD1 3.63Å; R550-Y576 HydrophobicContact CB-CD2 3.42Å; R550-Y576 VanDerWaalsContact CB-CD2 3.42Å; R550-Y576 HydrophobicContact CB-CE1 3.81Å; R550-Y576 HydrophobicContact CB-CE2 3.6Å; R550-Y576 HydrophobicContact CB-CG 3.47Å; R550-Y576 VanDerWaalsContact CB-CG 3.47Å; R550-Y576 HydrophobicContact CG-CD1 4.11Å; R550-Y576 HydrophobicContact CG-CE1 3.92Å; R550-Y576 HydrophobicContact CG-CE2 4.33Å; R550-Y576 HydrophobicContact CG-CG 4.43Å; R550-Y576 PolarHBondContact NE-OH 3.26Å; R550-Y576 PolarHBondContact NH2-OH 2.52Å; R550-Y576 VanDerWaalsContact NH2-OH 3.12Å; N572-Y576 WeakPolarHBondContact O-CD2 3.49Å; N572-Y576 WeakPolarHBondContact O-CE2 3.23Å; N572-Y576 PolarHBondContact O-N 2.81Å; N572-Y576 WeakPolarHBondContact OD1-CE2 3.38Å; N572-Y576 PolarHBondContact OD1-OH 3.12Å; A573-Y576 PolarHBondContact O-N 3.2Å; A573-Y576 VanDerWaalsContact O-N 3.12Å; Y576-T578 PolarHBondContact O-N 2.74Å; Y576-A579 VanDerWaalsContact O-CB 3.32Å; Y576-A579 WeakPolarHBondContact O-CB 3.17Å; Y576-A579 PolarHBondContact O-N 2.92Å; Y576-A579 VanDerWaalsContact O-N 3.13Å |
| 577 | S | 96 | Very high | 93.2 | Very high | 41 Ų | 41 | 36.4 Ų | 36.4 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.7 | -19.9 | 175.5 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | A573 G574 A579 F580 L581 | A573-S577 PolarHBondContact O-N 3.29Å; A573-S577 VanDerWaalsContact O-N 3.08Å; G574-S577 WeakPolarHBondContact CA-OG 3.46Å; G574-S577 PolarHBondContact O-OG 2.78Å; S577-A579 PolarHBondContact O-N 2.98Å; S577-F580 WeakPolarHBondContact O-CB 3.21Å; S577-F580 PolarHBondContact O-N 2.95Å; S577-L581 PolarHBondContact O-N 3.15Å |
| 578 | T | 96.4 | Very high | 93.6 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -26.5 | 169.7 | 67.1 | 0 | 0 | 0 | 0 | 113 | K575 Y576 F580 L581 V582 I607 Y611 | K575-T578 PolarHBondContact O-N 3.12Å; K575-T578 PolarHBondContact O-OG1 3.11Å; Y576-T578 PolarHBondContact O-N 2.74Å; T578-F580 VanDerWaalsContact C-N 3.28Å; T578-F580 PolarHBondContact O-N 3.24Å; T578-L581 PolarHBondContact O-N 3.07Å; T578-V582 WeakPolarHBondContact O-CG2 3.4Å; T578-V582 PolarHBondContact O-N 3.11Å; T578-V582 VanDerWaalsContact O-N 3.16Å; T578-I607 HydrophobicContact CG2-CG2 4.24Å; T578-Y611 HydrophobicContact CG2-CD1 3.96Å |
| 579 | A | 95.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.7 | -29.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S547 Y576 S577 S583 | S547-A579 WeakPolarHBondContact OG-CB 3.49Å; Y576-A579 VanDerWaalsContact O-CB 3.32Å; Y576-A579 WeakPolarHBondContact O-CB 3.17Å; Y576-A579 PolarHBondContact O-N 2.92Å; Y576-A579 VanDerWaalsContact O-N 3.13Å; S577-A579 PolarHBondContact O-N 2.98Å; A579-S583 WeakPolarHBondContact O-CB 3.31Å; A579-S583 PolarHBondContact O-N 3.43Å; A579-S583 VanDerWaalsContact O-N 3.1Å |
| 580 | F | 95.7 | Very high | 93.6 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.3 | -47 | 176.4 | -45.9 | -23 | 0 | 0 | 0 | 109.6 | V544 W548 F551 S577 T578 V582 S583 T584 | V544-F580 HydrophobicContact CG1-CD1 3.47Å; V544-F580 VanDerWaalsContact CG1-CD1 3.47Å; V544-F580 HydrophobicContact CG1-CE1 3.71Å; W548-F580 HydrophobicContact CB-CE1 4.3Å; W548-F580 HydrophobicContact CB-CZ 4.47Å; W548-F580 HydrophobicContact CE3-CE1 4.47Å; W548-F580 HydrophobicContact CE3-CE2 4.19Å; W548-F580 AromaticContact CE3-CZ 3.78Å; W548-F580 HydrophobicContact CE3-CZ 3.78Å; F551-F580 HydrophobicContact CB-CE2 4.48Å; F551-F580 HydrophobicContact CB-CZ 3.88Å; F551-F580 HydrophobicContact CD1-CE2 4.15Å; F551-F580 HydrophobicContact CD1-CZ 4.14Å; F551-F580 HydrophobicContact CD2-CE2 4.21Å; F551-F580 HydrophobicContact CD2-CZ 4.42Å; F551-F580 HydrophobicContact CE1-CE2 4.41Å; F551-F580 HydrophobicContact CE2-CE2 4.47Å; F551-F580 HydrophobicContact CG-CE2 4.05Å; F551-F580 AromaticContact CG-CZ 3.92Å; F551-F580 HydrophobicContact CG-CZ 3.92Å; S577-F580 WeakPolarHBondContact O-CB 3.21Å; S577-F580 PolarHBondContact O-N 2.95Å; T578-F580 VanDerWaalsContact C-N 3.28Å; T578-F580 PolarHBondContact O-N 3.24Å; F580-V582 PolarHBondContact O-N 3.17Å; F580-S583 PolarHBondContact O-N 3.3Å; F580-S583 VanDerWaalsContact O-N 3.14Å; F580-T584 PolarHBondContact O-N 2.95Å; F580-T584 PolarHBondContact O-OG1 3.21Å |
| 581 | L | 95.3 | Very high | 93.2 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 45% | 0.45 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.7 | -51 | 176.6 | -173 | 75.7 | 0 | 0 | 0 | 111.8 | S577 T578 S583 T584 C585 | S577-L581 PolarHBondContact O-N 3.15Å; T578-L581 PolarHBondContact O-N 3.07Å; L581-S583 VanDerWaalsContact C-N 3.32Å; L581-S583 PolarHBondContact O-N 2.93Å; L581-T584 PolarHBondContact O-N 3.46Å; L581-C585 PolarHBondContact O-N 3.44Å; L581-C585 PolarHBondContact O-SG 3.15Å |
| 582 | V | 95.7 | Very high | 93 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | T578 F580 G586 Y601 S604 R608 | T578-V582 WeakPolarHBondContact O-CG2 3.4Å; T578-V582 PolarHBondContact O-N 3.11Å; T578-V582 VanDerWaalsContact O-N 3.16Å; F580-V582 PolarHBondContact O-N 3.17Å; V582-G586 PolarHBondContact O-N 2.89Å; V582-Y601 HydrophobicContact CG1-CD2 4.43Å; V582-Y601 HydrophobicContact CG1-CE2 3.87Å; V582-S604 WeakPolarHBondContact CG2-O 3.44Å; V582-R608 HydrophobicContact CG2-CB 3.76Å; V582-R608 HydrophobicContact CG2-CG 4.38Å |
| 583 | S | 93.5 | Very high | 92.6 | Very high | 24 Ų | 24 | 53 Ų | 53 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 178.2 | -165.3 | 0 | 0 | 0 | 0 | 112.3 | P540 V544 A579 F580 L581 G586 V587 | P540-S583 WeakPolarHBondContact CB-OG 3.47Å; V544-S583 WeakPolarHBondContact CG2-OG 3.34Å; A579-S583 WeakPolarHBondContact O-CB 3.31Å; A579-S583 PolarHBondContact O-N 3.43Å; A579-S583 VanDerWaalsContact O-N 3.1Å; F580-S583 PolarHBondContact O-N 3.3Å; F580-S583 VanDerWaalsContact O-N 3.14Å; L581-S583 VanDerWaalsContact C-N 3.32Å; L581-S583 PolarHBondContact O-N 2.93Å; S583-G586 PolarHBondContact O-N 2.66Å; S583-V587 WeakPolarHBondContact O-CG2 3.47Å; S583-V587 PolarHBondContact O-N 3.12Å |
| 584 | T | 94.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 54.2 Ų | 54.2 | 61% | 0.607 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | F580 L581 G586 V587 W588 | F580-T584 PolarHBondContact O-N 2.95Å; F580-T584 PolarHBondContact O-OG1 3.21Å; L581-T584 PolarHBondContact O-N 3.46Å; T584-G586 VanDerWaalsContact C-N 3.33Å; T584-G586 PolarHBondContact O-N 3.07Å; T584-V587 PolarHBondContact O-N 3.39Å; T584-W588 PolarHBondContact O-N 2.79Å |
| 585 | C | 95.2 | Very high | 92.3 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 10% | 0.095 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | L581 W588 L589 A600 Y601 | L581-C585 PolarHBondContact O-N 3.44Å; L581-C585 PolarHBondContact O-SG 3.15Å; C585-W588 PolarHBondContact O-N 3.14Å; C585-L589 WeakPolarHBondContact O-CB 3.43Å; C585-L589 PolarHBondContact O-N 3.26Å; C585-A600 HydrophobicContact CB-CB 4.37Å; C585-Y601 HydrophobicContact CB-CD2 4.48Å |
| 586 | G | 91.2 | Very high | 92.3 | Very high | 23 Ų | 23 | 67 Ų | 67 | 24% | 0.237 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V582 S583 T584 L589 A590 | V582-G586 PolarHBondContact O-N 2.89Å; S583-G586 PolarHBondContact O-N 2.66Å; T584-G586 VanDerWaalsContact C-N 3.33Å; T584-G586 PolarHBondContact O-N 3.07Å; G586-L589 PolarHBondContact O-N 3.35Å; G586-A590 PolarHBondContact O-N 2.89Å |
| 587 | V | 90.1 | Very high | 92.3 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 30% | 0.297 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 172.3 | 169.9 | 0 | 0 | 0 | 0 | 111 | P540 S583 T584 L589 A590 F591 | P540-V587 HydrophobicContact CB-CG2 3.59Å; P540-V587 HydrophobicContact CG-CG2 3.61Å; S583-V587 WeakPolarHBondContact O-CG2 3.47Å; S583-V587 PolarHBondContact O-N 3.12Å; T584-V587 PolarHBondContact O-N 3.39Å; V587-L589 PolarHBondContact O-N 2.72Å; V587-A590 WeakPolarHBondContact O-CB 3.39Å; V587-A590 PolarHBondContact O-N 3.35Å; V587-A590 VanDerWaalsContact O-N 3.12Å; V587-F591 HydrophobicContact CG1-CD2 3.85Å; V587-F591 HydrophobicContact CG1-CE2 3.63Å; V587-F591 VanDerWaalsContact O-CD2 3.3Å; V587-F591 WeakPolarHBondContact O-CD2 3.42Å; V587-F591 PolarHBondContact O-N 3.49Å; V587-F591 VanDerWaalsContact O-N 3.14Å |
| 588 | W | 93.1 | Very high | 92.2 | Very high | 127 Ų | 127 | 65.5 Ų | 65.5 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 174.4 | -173.5 | 14 | 0 | 0 | 0 | 111.5 | T584 C585 A590 F591 D592 P597 A600 | T584-W588 PolarHBondContact O-N 2.79Å; C585-W588 PolarHBondContact O-N 3.14Å; W588-A590 PolarHBondContact O-N 2.93Å; W588-F591 PolarHBondContact O-N 2.94Å; W588-F591 VanDerWaalsContact O-N 3.16Å; W588-D592 PolarHBondContact O-N 3.08Å; W588-P597 HydrophobicContact CD2-CB 4.05Å; W588-P597 HydrophobicContact CD2-CG 4.11Å; W588-P597 HydrophobicContact CG-CB 4.02Å; W588-P597 HydrophobicContact CG-CG 4.19Å; W588-P597 HydrophobicContact CZ2-CG 4.26Å; W588-A600 HydrophobicContact CE3-CB 4.17Å; W588-A600 HydrophobicContact CZ3-CB 3.86Å |
| 589 | L | 89.5 | Confident | 92.2 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -22.9 | 175 | 179.4 | 59.1 | 0 | 0 | 0 | 113.9 | C585 G586 V587 D592 P597 L598 Y601 L663 | C585-L589 WeakPolarHBondContact O-CB 3.43Å; C585-L589 PolarHBondContact O-N 3.26Å; G586-L589 PolarHBondContact O-N 3.35Å; V587-L589 PolarHBondContact O-N 2.72Å; L589-D592 CarbonylContact C-O 3.46Å; L589-D592 VanDerWaalsContact CA-O 3.31Å; L589-D592 WeakPolarHBondContact CA-O 3.43Å; L589-P597 HydrophobicContact CB-CB 4.03Å; L589-P597 HydrophobicContact CD1-CB 4.18Å; L589-L598 HydrophobicContact CD1-CB 3.93Å; L589-L598 HydrophobicContact CD1-CD1 4.35Å; L589-L598 HydrophobicContact CD2-CD1 3.97Å; L589-Y601 HydrophobicContact CD2-CD1 4Å; L589-Y601 HydrophobicContact CD2-CG 3.95Å; L589-L663 HydrophobicContact CD2-CD1 4.37Å |
| 590 | A | 84.7 | Confident | 92.2 | Very high | 47 Ų | 47 | 68.4 Ų | 68.4 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -80.6 | -30.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | F536 G586 V587 W588 | F536-A590 HydrophobicContact CE2-CB 3.89Å; F536-A590 HydrophobicContact CZ-CB 3.67Å; G586-A590 PolarHBondContact O-N 2.89Å; V587-A590 WeakPolarHBondContact O-CB 3.39Å; V587-A590 PolarHBondContact O-N 3.35Å; V587-A590 VanDerWaalsContact O-N 3.12Å; W588-A590 PolarHBondContact O-N 2.93Å |
| 591 | F | 85.5 | Confident | 92.2 | Very high | 156 Ų | 156 | 67.7 Ų | 67.7 | 68% | 0.684 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -83 | -39 | 173.3 | -76.8 | -66.5 | 0 | 0 | 0 | 113.1 | F536 V587 W588 | F536-F591 HydrophobicContact CE1-CD1 4.45Å; F536-F591 AromaticContact CE1-CE1 3.91Å; F536-F591 HydrophobicContact CE1-CE1 3.91Å; F536-F591 HydrophobicContact CE1-CE2 4.24Å; F536-F591 AromaticContact CE1-CZ 3.8Å; F536-F591 HydrophobicContact CE1-CZ 3.8Å; V587-F591 HydrophobicContact CG1-CD2 3.85Å; V587-F591 HydrophobicContact CG1-CE2 3.63Å; V587-F591 VanDerWaalsContact O-CD2 3.3Å; V587-F591 WeakPolarHBondContact O-CD2 3.42Å; V587-F591 PolarHBondContact O-N 3.49Å; V587-F591 VanDerWaalsContact O-N 3.14Å; W588-F591 PolarHBondContact O-N 2.94Å; W588-F591 VanDerWaalsContact O-N 3.16Å |
| 592 | D | 87.4 | Confident | 92.3 | Very high | 74 Ų | 74 | 66.3 Ų | 66.3 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | trans | -125.6 | 115.6 | 178.8 | 173.4 | 16.2 | 0 | 0 | 0 | 109.6 | W588 L589 G594 P597 | W588-D592 PolarHBondContact O-N 3.08Å; L589-D592 CarbonylContact C-O 3.46Å; L589-D592 VanDerWaalsContact CA-O 3.31Å; L589-D592 WeakPolarHBondContact CA-O 3.43Å; D592-G594 PolarHBondContact O-N 3.28Å; D592-G594 WeakPolarHBondContact OD1-CA 3.4Å; D592-G594 PolarHBondContact OD1-N 3.25Å; D592-P597 HydrophobicContact CB-CG 3.82Å; D592-P597 WeakPolarHBondContact O-CB 3.46Å; D592-P597 WeakPolarHBondContact O-CG 3.18Å; D592-P597 WeakPolarHBondContact OD2-CG 3.4Å | ||
| 593 | R | 84.7 | Confident | 92.4 | Very high | 220 Ų | 220 | 70.2 Ų | 70.2 | 83% | 0.83 | 36% | 0.359 | S | S | * | . | trans | -85.4 | 8.7 | 179.2 | -64.5 | -174.7 | -180 | 180 | 1.5 | 113.5 | ||||
| 594 | G | 90.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 69.2 Ų | 69.2 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -65.7 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D592 P597 | D592-G594 PolarHBondContact O-N 3.28Å; D592-G594 WeakPolarHBondContact OD1-CA 3.4Å; D592-G594 PolarHBondContact OD1-N 3.25Å; G594-P597 WeakPolarHBondContact O-CD 3.29Å |
| 595 | T | 93.6 | Very high | 92.7 | Very high | 103 Ų | 103 | 64.6 Ų | 64.6 | 63% | 0.632 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68.8 | -38 | -174.2 | -50.1 | 0 | 0 | 0 | 0 | 113.1 | L598 V599 | T595-L598 PolarHBondContact O-N 3.43Å; T595-V599 HydrophobicContact CG2-CG2 4.25Å; T595-V599 WeakPolarHBondContact O-CG2 3.38Å; T595-V599 PolarHBondContact O-N 3.21Å |
| 596 | W | 95.1 | Very high | 92.8 | Very high | 198 Ų | 198 | 68.5 Ų | 68.5 | 75% | 0.75 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.4 | -47.2 | -176.1 | -68.9 | 114.1 | 0 | 0 | 0 | 114.1 | L598 V599 A600 | W596-L598 VanDerWaalsContact C-N 3.27Å; W596-L598 PolarHBondContact O-N 3.24Å; W596-V599 PolarHBondContact O-N 3.25Å; W596-A600 WeakPolarHBondContact O-CB 3.41Å; W596-A600 PolarHBondContact O-N 2.88Å |
| 597 | P | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 172.5 | -22 | 30 | 0 | 0 | 0 | 112.7 | W588 L589 D592 G594 A600 Y601 | W588-P597 HydrophobicContact CD2-CB 4.05Å; W588-P597 HydrophobicContact CD2-CG 4.11Å; W588-P597 HydrophobicContact CG-CB 4.02Å; W588-P597 HydrophobicContact CG-CG 4.19Å; W588-P597 HydrophobicContact CZ2-CG 4.26Å; L589-P597 HydrophobicContact CB-CB 4.03Å; L589-P597 HydrophobicContact CD1-CB 4.18Å; D592-P597 HydrophobicContact CB-CG 3.82Å; D592-P597 WeakPolarHBondContact O-CB 3.46Å; D592-P597 WeakPolarHBondContact O-CG 3.18Å; D592-P597 WeakPolarHBondContact OD2-CG 3.4Å; G594-P597 WeakPolarHBondContact O-CD 3.29Å; P597-A600 PolarHBondContact O-N 3.24Å; P597-Y601 WeakPolarHBondContact O-CB 3.41Å; P597-Y601 PolarHBondContact O-N 2.9Å |
| 598 | L | 94.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 73.5 Ų | 73.5 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 177.6 | 179.3 | 65.3 | 0 | 0 | 0 | 111.7 | L589 T595 W596 Y601 I602 L663 | L589-L598 HydrophobicContact CD1-CB 3.93Å; L589-L598 HydrophobicContact CD1-CD1 4.35Å; L589-L598 HydrophobicContact CD2-CD1 3.97Å; T595-L598 PolarHBondContact O-N 3.43Å; W596-L598 VanDerWaalsContact C-N 3.27Å; W596-L598 PolarHBondContact O-N 3.24Å; L598-Y601 PolarHBondContact O-N 3.5Å; L598-I602 HydrophobicContact CD1-CD1 4.09Å; L598-I602 HydrophobicContact CD1-CG1 4.48Å; L598-I602 HydrophobicContact CG-CD1 3.95Å; L598-I602 VanDerWaalsContact O-CG1 3.29Å; L598-I602 WeakPolarHBondContact O-CG1 3.33Å; L598-I602 PolarHBondContact O-N 3.49Å; L598-L663 HydrophobicContact CD1-CD1 4.34Å; L598-L663 HydrophobicContact CD1-CD2 4.11Å |
| 599 | V | 96.2 | Very high | 93.5 | Very high | 54 Ų | 54 | 68.1 Ų | 68.1 | 33% | 0.327 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 175.5 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | T595 W596 Y601 I602 I603 | T595-V599 HydrophobicContact CG2-CG2 4.25Å; T595-V599 WeakPolarHBondContact O-CG2 3.38Å; T595-V599 PolarHBondContact O-N 3.21Å; W596-V599 PolarHBondContact O-N 3.25Å; V599-Y601 PolarHBondContact O-N 3.23Å; V599-I602 PolarHBondContact O-N 3.45Å; V599-I603 HydrophobicContact CG1-CD1 3.63Å; V599-I603 HydrophobicContact CG1-CG1 4.35Å; V599-I603 WeakPolarHBondContact O-CB 3.27Å; V599-I603 VanDerWaalsContact O-CG1 3.32Å; V599-I603 WeakPolarHBondContact O-CG1 3.34Å; V599-I603 PolarHBondContact O-N 3.27Å |
| 600 | A | 96.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 68.5 Ų | 68.5 | 20% | 0.198 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C585 W588 W596 P597 S604 | C585-A600 HydrophobicContact CB-CB 4.37Å; W588-A600 HydrophobicContact CE3-CB 4.17Å; W588-A600 HydrophobicContact CZ3-CB 3.86Å; W596-A600 WeakPolarHBondContact O-CB 3.41Å; W596-A600 PolarHBondContact O-N 2.88Å; P597-A600 PolarHBondContact O-N 3.24Å; A600-S604 VanDerWaalsContact O-CB 3.3Å; A600-S604 WeakPolarHBondContact O-CB 3.42Å; A600-S604 PolarHBondContact O-N 3.47Å; A600-S604 PolarHBondContact O-OG 3.25Å |
| 601 | Y | 95.4 | Very high | 94.5 | Very high | 32 Ų | 32 | 69.8 Ų | 69.8 | 13% | 0.125 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 174.7 | -179.8 | -102.6 | 0 | 0 | 0 | 112.4 | V582 C585 L589 P597 L598 V599 S604 S605 L663 | V582-Y601 HydrophobicContact CG1-CD2 4.43Å; V582-Y601 HydrophobicContact CG1-CE2 3.87Å; C585-Y601 HydrophobicContact CB-CD2 4.48Å; L589-Y601 HydrophobicContact CD2-CD1 4Å; L589-Y601 HydrophobicContact CD2-CG 3.95Å; P597-Y601 WeakPolarHBondContact O-CB 3.41Å; P597-Y601 PolarHBondContact O-N 2.9Å; L598-Y601 PolarHBondContact O-N 3.5Å; V599-Y601 PolarHBondContact O-N 3.23Å; Y601-S604 WeakPolarHBondContact CA-OG 3.23Å; Y601-S604 PolarHBondContact O-OG 3.27Å; Y601-S604 VanDerWaalsContact O-OG 3.1Å; Y601-S605 WeakPolarHBondContact O-CB 3.38Å; Y601-S605 PolarHBondContact O-N 2.93Å; Y601-S605 PolarHBondContact O-OG 3.38Å; Y601-L663 HydrophobicContact CD1-CD1 4.25Å; Y601-L663 HydrophobicContact CD1-CD2 4.07Å; Y601-L663 HydrophobicContact CE1-CD1 4.01Å; Y601-L663 HydrophobicContact CE1-CD2 4.03Å; Y601-L663 HydrophobicContact CE1-CG 4.46Å |
| 602 | I | 96.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -50.5 | 176.9 | -71.1 | 166.8 | 0 | 0 | 0 | 110.7 | L598 V599 S604 S605 I606 W659 L663 | L598-I602 HydrophobicContact CD1-CD1 4.09Å; L598-I602 HydrophobicContact CD1-CG1 4.48Å; L598-I602 HydrophobicContact CG-CD1 3.95Å; L598-I602 VanDerWaalsContact O-CG1 3.29Å; L598-I602 WeakPolarHBondContact O-CG1 3.33Å; L598-I602 PolarHBondContact O-N 3.49Å; V599-I602 PolarHBondContact O-N 3.45Å; I602-S604 PolarHBondContact O-N 2.96Å; I602-S605 PolarHBondContact O-N 2.91Å; I602-I606 HydrophobicContact CG2-CD1 3.79Å; I602-I606 VanDerWaalsContact O-CG1 3.31Å; I602-I606 WeakPolarHBondContact O-CG1 3.33Å; I602-I606 PolarHBondContact O-N 3.17Å; I602-W659 HydrophobicContact CG1-CZ3 4.36Å; I602-W659 HydrophobicContact CG2-CH2 4.31Å; I602-L663 HydrophobicContact CG1-CD2 4.19Å |
| 603 | I | 97.4 | Very high | 95.4 | Very high | 91 Ų | 91 | 62.9 Ų | 62.9 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | -179.5 | -69.1 | 170.3 | 0 | 0 | 0 | 111 | V599 S605 I606 I607 | V599-I603 HydrophobicContact CG1-CD1 3.63Å; V599-I603 HydrophobicContact CG1-CG1 4.35Å; V599-I603 WeakPolarHBondContact O-CB 3.27Å; V599-I603 VanDerWaalsContact O-CG1 3.32Å; V599-I603 WeakPolarHBondContact O-CG1 3.34Å; V599-I603 PolarHBondContact O-N 3.27Å; I603-S605 VanDerWaalsContact C-N 3.31Å; I603-S605 PolarHBondContact O-N 3.38Å; I603-I606 PolarHBondContact O-N 3.12Å; I603-I607 HydrophobicContact CG2-CD1 3.87Å; I603-I607 WeakPolarHBondContact O-CG1 3.21Å; I603-I607 PolarHBondContact O-N 3.33Å |
| 604 | S | 97.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | V582 A600 Y601 I602 I607 R608 | V582-S604 WeakPolarHBondContact CG2-O 3.44Å; A600-S604 VanDerWaalsContact O-CB 3.3Å; A600-S604 WeakPolarHBondContact O-CB 3.42Å; A600-S604 PolarHBondContact O-N 3.47Å; A600-S604 PolarHBondContact O-OG 3.25Å; Y601-S604 WeakPolarHBondContact CA-OG 3.23Å; Y601-S604 PolarHBondContact O-OG 3.27Å; Y601-S604 VanDerWaalsContact O-OG 3.1Å; I602-S604 PolarHBondContact O-N 2.96Å; S604-I607 PolarHBondContact O-N 3.07Å; S604-R608 WeakPolarHBondContact O-CB 3.2Å; S604-R608 PolarHBondContact O-N 3.33Å |
| 605 | S | 96.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | Y601 I602 I603 S609 | Y601-S605 WeakPolarHBondContact O-CB 3.38Å; Y601-S605 PolarHBondContact O-N 2.93Å; Y601-S605 PolarHBondContact O-OG 3.38Å; I602-S605 PolarHBondContact O-N 2.91Å; I603-S605 VanDerWaalsContact C-N 3.31Å; I603-S605 PolarHBondContact O-N 3.38Å; S605-S609 VanDerWaalsContact O-CB 3.26Å; S605-S609 WeakPolarHBondContact O-CB 3.04Å; S605-S609 PolarHBondContact O-N 3.39Å; S605-S609 PolarHBondContact O-OG 3.3Å |
| 606 | I | 97.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 49% | 0.492 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -49.3 | 171.1 | -69.4 | 165.4 | 0 | 0 | 0 | 110.3 | I602 I603 R608 S609 G610 W659 | I602-I606 HydrophobicContact CG2-CD1 3.79Å; I602-I606 VanDerWaalsContact O-CG1 3.31Å; I602-I606 WeakPolarHBondContact O-CG1 3.33Å; I602-I606 PolarHBondContact O-N 3.17Å; I603-I606 PolarHBondContact O-N 3.12Å; I606-R608 PolarHBondContact O-N 2.9Å; I606-S609 PolarHBondContact O-N 3.1Å; I606-G610 PolarHBondContact O-N 2.97Å; I606-W659 HydrophobicContact CG1-CH2 3.96Å; I606-W659 HydrophobicContact CG1-CZ2 3.86Å |
| 607 | I | 97.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 39.4 Ų | 39.4 | 44% | 0.436 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 178.8 | -68.4 | 165.6 | 0 | 0 | 0 | 111.1 | T578 I603 S604 S609 Y611 | T578-I607 HydrophobicContact CG2-CG2 4.24Å; I603-I607 HydrophobicContact CG2-CD1 3.87Å; I603-I607 WeakPolarHBondContact O-CG1 3.21Å; I603-I607 PolarHBondContact O-N 3.33Å; S604-I607 PolarHBondContact O-N 3.07Å; I607-S609 PolarHBondContact O-N 2.97Å; I607-Y611 WeakPolarHBondContact O-CB 3.37Å; I607-Y611 PolarHBondContact O-N 2.71Å |
| 608 | R | 96.6 | Very high | 95.9 | Very high | 91 Ų | 91 | 43.5 Ų | 43.5 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.7 | 175.7 | 178.3 | 174 | 174.8 | -4.7 | 111.8 | V582 S604 I606 T612 | V582-R608 HydrophobicContact CG2-CB 3.76Å; V582-R608 HydrophobicContact CG2-CG 4.38Å; S604-R608 WeakPolarHBondContact O-CB 3.2Å; S604-R608 PolarHBondContact O-N 3.33Å; I606-R608 PolarHBondContact O-N 2.9Å; R608-T612 HydrophobicContact CG-CG2 4.47Å; R608-T612 VanDerWaalsContact O-CB 3.3Å; R608-T612 WeakPolarHBondContact O-CB 3.39Å; R608-T612 WeakPolarHBondContact O-CG2 3.47Å; R608-T612 PolarHBondContact O-N 2.94Å; R608-T612 PolarHBondContact O-OG1 2.93Å |
| 609 | S | 96.7 | Very high | 95.8 | Very high | 14 Ų | 14 | 46 Ų | 46 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -51.4 | -177.4 | -57.1 | 0 | 0 | 0 | 0 | 111 | S605 I606 I607 T612 Y613 W659 | S605-S609 VanDerWaalsContact O-CB 3.26Å; S605-S609 WeakPolarHBondContact O-CB 3.04Å; S605-S609 PolarHBondContact O-N 3.39Å; S605-S609 PolarHBondContact O-OG 3.3Å; I606-S609 PolarHBondContact O-N 3.1Å; I607-S609 PolarHBondContact O-N 2.97Å; S609-T612 PolarHBondContact O-N 3.49Å; S609-T612 PolarHBondContact O-OG1 3.01Å; S609-Y613 WeakPolarHBondContact O-CB 3.45Å; S609-Y613 PolarHBondContact O-N 3.45Å; S609-W659 PolarHBondContact OG-NE1 2.85Å |
| 610 | G | 96.9 | Very high | 95.6 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.7 | -46 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I606 Y613 A614 | I606-G610 PolarHBondContact O-N 2.97Å; G610-Y613 PolarHBondContact O-N 3.33Å; G610-A614 WeakPolarHBondContact O-CB 3.49Å; G610-A614 PolarHBondContact O-N 3.41Å |
| 611 | Y | 96.8 | Very high | 95.4 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.9 | -39.1 | 179.4 | -168.7 | -171.4 | 0 | 0 | 0 | 111.9 | L571 K575 T578 I607 W615 | L571-Y611 PolarHBondContact O-OH 2.74Å; K575-Y611 HydrophobicContact CB-CD1 4.4Å; K575-Y611 HydrophobicContact CB-CE1 4.14Å; T578-Y611 HydrophobicContact CG2-CD1 3.96Å; I607-Y611 WeakPolarHBondContact O-CB 3.37Å; I607-Y611 PolarHBondContact O-N 2.71Å; Y611-W615 HydrophobicContact CE2-CE3 4.02Å; Y611-W615 HydrophobicContact CE2-CZ3 4.47Å; Y611-W615 WeakPolarHBondContact O-CB 3.3Å; Y611-W615 PolarHBondContact O-N 2.99Å |
| 612 | T | 95.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 42 Ų | 42 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.4 | -34.4 | 176.6 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | K575 R608 S609 W615 D616 R656 | K575-T612 HydrophobicContact CD-CG2 4.07Å; K575-T612 HydrophobicContact CG-CG2 3.69Å; R608-T612 HydrophobicContact CG-CG2 4.47Å; R608-T612 VanDerWaalsContact O-CB 3.3Å; R608-T612 WeakPolarHBondContact O-CB 3.39Å; R608-T612 WeakPolarHBondContact O-CG2 3.47Å; R608-T612 PolarHBondContact O-N 2.94Å; R608-T612 PolarHBondContact O-OG1 2.93Å; S609-T612 PolarHBondContact O-N 3.49Å; S609-T612 PolarHBondContact O-OG1 3.01Å; T612-W615 PolarHBondContact O-N 3.4Å; T612-D616 PolarHBondContact O-N 2.98Å; T612-D616 VanDerWaalsContact O-N 3.11Å; T612-R656 VanDerWaalsContact C-NE 3.33Å; T612-R656 PolarHBondContact O-NH2 2.93Å; T612-R656 VanDerWaalsContact O-NH2 3.09Å; T612-R656 PolarHBondContact OG1-NE 3.36Å |
| 613 | Y | 96.7 | Very high | 94.5 | Very high | 60 Ų | 60 | 39.5 Ų | 39.5 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -56 | 172.8 | 174.6 | -113 | 0 | 0 | 0 | 111.1 | S609 G610 W615 D616 I617 I649 D652 F653 | S609-Y613 WeakPolarHBondContact O-CB 3.45Å; S609-Y613 PolarHBondContact O-N 3.45Å; G610-Y613 PolarHBondContact O-N 3.33Å; Y613-W615 PolarHBondContact O-N 2.89Å; Y613-D616 PolarHBondContact O-N 3.5Å; Y613-I617 HydrophobicContact CD2-CG1 4.25Å; Y613-I617 HydrophobicContact CE2-CD1 4.11Å; Y613-I617 HydrophobicContact CE2-CG1 3.87Å; Y613-I617 PolarHBondContact O-N 3.08Å; Y613-I649 WeakPolarHBondContact OH-CG2 3.18Å; Y613-D652 WeakPolarHBondContact CD2-OD2 3.38Å; Y613-F653 HydrophobicContact CD1-CD2 4.37Å; Y613-F653 HydrophobicContact CD2-CB 4.23Å; Y613-F653 HydrophobicContact CD2-CD2 4.37Å; Y613-F653 HydrophobicContact CE1-CD2 4.09Å; Y613-F653 HydrophobicContact CE2-CB 3.63Å; Y613-F653 HydrophobicContact CE2-CD2 4.11Å; Y613-F653 HydrophobicContact CE2-CG 4.37Å; Y613-F653 AromaticContact CZ-CD2 3.95Å |
| 614 | A | 95.3 | Very high | 93.8 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 31% | 0.306 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.4 | -36.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G610 L618 | G610-A614 WeakPolarHBondContact O-CB 3.49Å; G610-A614 PolarHBondContact O-N 3.41Å; A614-L618 HydrophobicContact CB-CD1 4.31Å; A614-L618 WeakPolarHBondContact O-CB 3.28Å; A614-L618 WeakPolarHBondContact O-CD1 3.23Å; A614-L618 WeakPolarHBondContact O-CG 3.38Å; A614-L618 PolarHBondContact O-N 3.01Å |
| 615 | W | 95.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.6 | -46.2 | 175 | -166.3 | -72.4 | 0 | 0 | 0 | 113.1 | P568 L571 N572 K575 Y611 T612 Y613 I617 M619 D620 | P568-W615 HydrophobicContact CB-CH2 4.39Å; L571-W615 HydrophobicContact CB-CH2 4.13Å; L571-W615 HydrophobicContact CB-CZ3 3.81Å; N572-W615 HydrophobicContact CB-CH2 3.45Å; N572-W615 VanDerWaalsContact CB-CH2 3.45Å; N572-W615 HydrophobicContact CB-CZ2 3.52Å; N572-W615 HydrophobicContact CB-CZ3 4.12Å; N572-W615 VanDerWaalsContact CG-CZ2 3.46Å; K575-W615 HydrophobicContact CB-CE3 4.36Å; K575-W615 HydrophobicContact CD-CB 3.42Å; K575-W615 VanDerWaalsContact CD-CB 3.42Å; K575-W615 HydrophobicContact CD-CD2 3.71Å; K575-W615 HydrophobicContact CD-CE3 4.07Å; K575-W615 HydrophobicContact CD-CG 3.38Å; Y611-W615 HydrophobicContact CE2-CE3 4.02Å; Y611-W615 HydrophobicContact CE2-CZ3 4.47Å; Y611-W615 WeakPolarHBondContact O-CB 3.3Å; Y611-W615 PolarHBondContact O-N 2.99Å; T612-W615 PolarHBondContact O-N 3.4Å; Y613-W615 PolarHBondContact O-N 2.89Å; W615-I617 VanDerWaalsContact C-N 3.32Å; W615-I617 PolarHBondContact O-N 2.76Å; W615-M619 HydrophobicContact CD2-CB 4.02Å; W615-M619 HydrophobicContact CD2-CG 3.97Å; W615-M619 HydrophobicContact CE3-CG 4.24Å; W615-M619 HydrophobicContact CG-CB 4.14Å; W615-M619 HydrophobicContact CG-CG 4.37Å; W615-M619 HydrophobicContact CH2-CG 4.27Å; W615-M619 HydrophobicContact CZ2-CB 3.97Å; W615-M619 HydrophobicContact CZ2-CE 4.47Å; W615-M619 HydrophobicContact CZ2-CG 4.05Å; W615-M619 HydrophobicContact CZ3-CG 4.39Å; W615-M619 WeakPolarHBondContact O-CA 3.44Å; W615-M619 WeakPolarHBondContact O-CB 3.39Å; W615-M619 PolarHBondContact O-N 3.19Å; W615-D620 PolarHBondContact NE1-OD2 2.89Å; W615-D620 PolarHBondContact O-N 3.35Å |
| 616 | D | 94.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -64.4 | -41.1 | -175 | -76.6 | 21.3 | 0 | 0 | 0 | 110.4 | K575 T612 Y613 W621 R656 R687 W691 | K575-D616 IonicContact NZ-OD1 3.83Å; T612-D616 PolarHBondContact O-N 2.98Å; T612-D616 VanDerWaalsContact O-N 3.11Å; Y613-D616 PolarHBondContact O-N 3.5Å; D616-W621 WeakPolarHBondContact O-CB 3.14Å; D616-W621 VanDerWaalsContact O-CG 3.22Å; D616-W621 PolarHBondContact O-N 3.21Å; D616-R656 IonicContact OD1-NH1 2.77Å; D616-R656 IonicContact OD1-NH2 2.66Å; D616-R656 PolarHBondContact OD1-NH2 3.25Å; D616-R656 IonicContact OD2-CZ 3.69Å; D616-R656 VanDerWaalsContact OD2-CZ 3.23Å; D616-R656 IonicContact OD2-NH1 2.65Å; D616-R656 PolarHBondContact OD2-NH1 3.47Å; D616-R656 IonicContact OD2-NH2 3.69Å; D616-R656 PolarHBondContact OD2-NH2 3.45Å; D616-R687 IonicContact OD2-NH1 2.95Å; D616-R687 PolarHBondContact OD2-NH1 2.93Å; D616-W691 PolarHBondContact OD2-NE1 3.03Å |
| 617 | I | 94 | Very high | 89.1 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -72 | -54.2 | 177.1 | -49 | -48.4 | 0 | 0 | 0 | 112.3 | Y613 W615 W621 G622 L623 L624 I649 | Y613-I617 HydrophobicContact CD2-CG1 4.25Å; Y613-I617 HydrophobicContact CE2-CD1 4.11Å; Y613-I617 HydrophobicContact CE2-CG1 3.87Å; Y613-I617 PolarHBondContact O-N 3.08Å; W615-I617 VanDerWaalsContact C-N 3.32Å; W615-I617 PolarHBondContact O-N 2.76Å; I617-W621 HydrophobicContact CD1-CD2 4.36Å; I617-W621 HydrophobicContact CD1-CE3 3.54Å; I617-W621 HydrophobicContact CD1-CH2 4.04Å; I617-W621 HydrophobicContact CD1-CZ3 3.35Å; I617-G622 PolarHBondContact O-N 3.4Å; I617-G622 VanDerWaalsContact O-N 3.09Å; I617-L623 HydrophobicContact CG2-CB 4Å; I617-L623 PolarHBondContact O-N 2.7Å; I617-L624 HydrophobicContact CB-CD1 4.49Å; I617-L624 HydrophobicContact CG2-CD1 3.64Å; I617-L624 HydrophobicContact CG2-CG 3.75Å; I617-I649 HydrophobicContact CD1-CG1 4.02Å |
| 618 | L | 91.8 | Very high | 87.4 | Confident | 88 Ų | 88 | 50 Ų | 50 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -76.6 | -40.4 | -170.8 | -61.6 | 171.1 | 0 | 0 | 0 | 113.5 | A614 G622 L624 | A614-L618 HydrophobicContact CB-CD1 4.31Å; A614-L618 WeakPolarHBondContact O-CB 3.28Å; A614-L618 WeakPolarHBondContact O-CD1 3.23Å; A614-L618 WeakPolarHBondContact O-CG 3.38Å; A614-L618 PolarHBondContact O-N 3.01Å; L618-G622 WeakPolarHBondContact O-CA 3.39Å; L618-L624 HydrophobicContact CD2-CB 3.84Å; L618-L624 HydrophobicContact CD2-CD1 3.97Å; L618-L624 HydrophobicContact CD2-CG 4.4Å |
| 619 | M | 90.6 | Very high | 85.5 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -107.1 | -43.1 | -167.3 | -60.5 | -60.8 | -56.7 | 0 | 0 | 112.9 | P568 W615 N698 | P568-M619 HydrophobicContact CB-CE 4.12Å; W615-M619 HydrophobicContact CD2-CB 4.02Å; W615-M619 HydrophobicContact CD2-CG 3.97Å; W615-M619 HydrophobicContact CE3-CG 4.24Å; W615-M619 HydrophobicContact CG-CB 4.14Å; W615-M619 HydrophobicContact CG-CG 4.37Å; W615-M619 HydrophobicContact CH2-CG 4.27Å; W615-M619 HydrophobicContact CZ2-CB 3.97Å; W615-M619 HydrophobicContact CZ2-CE 4.47Å; W615-M619 HydrophobicContact CZ2-CG 4.05Å; W615-M619 HydrophobicContact CZ3-CG 4.39Å; W615-M619 WeakPolarHBondContact O-CA 3.44Å; W615-M619 WeakPolarHBondContact O-CB 3.39Å; W615-M619 PolarHBondContact O-N 3.19Å; M619-N698 PolarHBondContact O-ND2 3.18Å |
| 620 | D | 91.8 | Very high | 83.7 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -85.3 | -39.1 | -177.8 | -83.4 | -33.9 | 0 | 0 | 0 | 111.7 | K575 W615 W691 R695 N698 | K575-D620 IonicContact NZ-OD2 3.63Å; W615-D620 PolarHBondContact NE1-OD2 2.89Å; W615-D620 PolarHBondContact O-N 3.35Å; D620-W691 HydrophobicContact CB-CZ2 4.2Å; D620-R695 VanDerWaalsContact CB-CD 3.44Å; D620-R695 WeakPolarHBondContact O-CD 3.41Å; D620-R695 VanDerWaalsContact OD1-CD 3.32Å; D620-R695 WeakPolarHBondContact OD1-CD 3.32Å; D620-R695 IonicContact OD1-CZ 3.18Å; D620-R695 IonicContact OD1-NE 3.02Å; D620-R695 PolarHBondContact OD1-NE 3.07Å; D620-R695 IonicContact OD1-NH2 3.95Å; D620-N698 WeakPolarHBondContact O-CB 3.1Å; D620-N698 PolarHBondContact O-ND2 3.46Å |
| 621 | W | 92.9 | Very high | 82.2 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -93.4 | -25.4 | 174.8 | -60.3 | -3.8 | 0 | 0 | 0 | 113.7 | D616 I617 L623 R634 A648 I649 D652 W691 F694 | D616-W621 WeakPolarHBondContact O-CB 3.14Å; D616-W621 VanDerWaalsContact O-CG 3.22Å; D616-W621 PolarHBondContact O-N 3.21Å; I617-W621 HydrophobicContact CD1-CD2 4.36Å; I617-W621 HydrophobicContact CD1-CE3 3.54Å; I617-W621 HydrophobicContact CD1-CH2 4.04Å; I617-W621 HydrophobicContact CD1-CZ3 3.35Å; W621-L623 HydrophobicContact CB-CD1 4.27Å; W621-L623 HydrophobicContact CB-CG 4.09Å; W621-L623 HydrophobicContact CE3-CD1 4.07Å; W621-R634 PolarHBondContact O-NH1 3.21Å; W621-A648 HydrophobicContact CH2-CB 3.63Å; W621-A648 WeakPolarHBondContact CH2-O 3.4Å; W621-A648 HydrophobicContact CZ3-CB 3.65Å; W621-I649 HydrophobicContact CZ3-CG1 4.2Å; W621-D652 HydrophobicContact CH2-CB 3.95Å; W621-W691 AromaticContact CE2-CD1 3.83Å; W621-W691 HydrophobicContact CZ2-CB 4.08Å; W621-W691 HydrophobicContact CZ2-CG 4.41Å; W621-W691 AromaticContact NE1-CD1 3.15Å; W621-W691 AromaticContact NE1-CG 3.57Å; W621-W691 AromaticContact NE1-NE1 3.78Å; W621-W691 PolarHBondContact NE1-O 3.32Å; W621-F694 HydrophobicContact CB-CB 4.15Å; W621-F694 HydrophobicContact CD2-CB 3.82Å; W621-F694 HydrophobicContact CD2-CD2 4.41Å; W621-F694 HydrophobicContact CD2-CG 4.31Å; W621-F694 HydrophobicContact CG-CB 3.56Å; W621-F694 HydrophobicContact CG-CG 4.49Å; W621-F694 HydrophobicContact CZ2-CD2 4.38Å |
| 622 | G | 86.5 | Confident | 81.3 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | trans | 69.9 | 46.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | I617 L618 | I617-G622 PolarHBondContact O-N 3.4Å; I617-G622 VanDerWaalsContact O-N 3.09Å; L618-G622 WeakPolarHBondContact O-CA 3.39Å | ||
| 623 | L | 87.8 | Confident | 80.7 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | trans | -113.6 | 177 | 177.2 | -53.3 | 179.7 | 0 | 0 | 0 | 110.7 | I617 W621 D625 L633 R634 Y645 I649 | I617-L623 HydrophobicContact CG2-CB 4Å; I617-L623 PolarHBondContact O-N 2.7Å; W621-L623 HydrophobicContact CB-CD1 4.27Å; W621-L623 HydrophobicContact CB-CG 4.09Å; W621-L623 HydrophobicContact CE3-CD1 4.07Å; L623-D625 VanDerWaalsContact C-N 3.33Å; L623-L633 HydrophobicContact CD1-CD2 4.43Å; L623-L633 HydrophobicContact CD2-CD2 4.28Å; L623-R634 HydrophobicContact CD2-CG 4.32Å; L623-Y645 HydrophobicContact CD1-CD1 4.26Å; L623-Y645 HydrophobicContact CD2-CD1 4.19Å; L623-I649 HydrophobicContact CD1-CD1 4.08Å; L623-I649 HydrophobicContact CD1-CG1 4.38Å | ||
| 624 | L | 81.9 | Confident | 80 | Confident | 66 Ų | 66 | 60.3 Ų | 60.3 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | trans | 63.4 | 28.9 | -174.8 | -49 | 173.3 | 0 | 0 | 0 | 114.5 | I617 L618 C626 L632 | I617-L624 HydrophobicContact CB-CD1 4.49Å; I617-L624 HydrophobicContact CG2-CD1 3.64Å; I617-L624 HydrophobicContact CG2-CG 3.75Å; L618-L624 HydrophobicContact CD2-CB 3.84Å; L618-L624 HydrophobicContact CD2-CD1 3.97Å; L618-L624 HydrophobicContact CD2-CG 4.4Å; L624-C626 PolarHBondContact O-N 3.17Å; L624-L632 WeakPolarHBondContact CA-O 3.5Å; L624-L632 HydrophobicContact CD2-CB 3.97Å; L624-L632 HydrophobicContact CD2-CD2 3.95Å; L624-L632 HydrophobicContact CD2-CG 4.47Å; L624-L632 PolarHBondContact N-O 2.92Å | ||
| 625 | D | 69.7 | Low | 78.8 | Confident | 85 Ų | 85 | 64 Ų | 64 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | trans | -76.5 | 103.2 | 164.2 | -164.9 | -21.9 | 0 | 0 | 0 | 109.1 | L623 R627 S628 | L623-D625 VanDerWaalsContact C-N 3.33Å; D625-R627 PolarHBondContact O-N 2.65Å; D625-R627 VanDerWaalsContact OD1-CB 3.26Å; D625-R627 WeakPolarHBondContact OD1-CB 3.3Å; D625-R627 WeakPolarHBondContact OD1-CG 3.41Å; D625-R627 PolarHBondContact OD1-N 3.04Å; D625-S628 WeakPolarHBondContact O-CB 3.36Å; D625-S628 PolarHBondContact O-N 3.31Å; D625-S628 PolarHBondContact O-OG 3.36Å | ||
| 626 | C | 62.7 | Low | 77.7 | Confident | 111 Ų | 111 | 69.3 Ų | 69.3 | 75% | 0.75 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 2.2 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 114.2 | L624 | L624-C626 PolarHBondContact O-N 3.17Š|
| 627 | R | 59.8 | Low | 77.1 | Confident | 228 Ų | 228 | 71.5 Ų | 71.5 | 86% | 0.86 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -6.6 | 173.3 | -56 | 175.1 | 176.2 | -177.1 | -1 | 113.7 | D625 | D625-R627 PolarHBondContact O-N 2.65Å; D625-R627 VanDerWaalsContact OD1-CB 3.26Å; D625-R627 WeakPolarHBondContact OD1-CB 3.3Å; D625-R627 WeakPolarHBondContact OD1-CG 3.41Å; D625-R627 PolarHBondContact OD1-N 3.04Å |
| 628 | S | 60.9 | Low | 76.2 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 7% | 0.07 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -70.7 | 151.4 | 173.5 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | D625 D630 L633 D635 | D625-S628 WeakPolarHBondContact O-CB 3.36Å; D625-S628 PolarHBondContact O-N 3.31Å; D625-S628 PolarHBondContact O-OG 3.36Å; S628-D630 VanDerWaalsContact C-N 3.34Å; S628-D630 PolarHBondContact OG-O 2.84Å; S628-L633 PolarHBondContact OG-O 3.29Å; S628-D635 WeakPolarHBondContact CA-OD1 3.25Å; S628-D635 WeakPolarHBondContact CB-OD1 3.19Å |
| 629 | E | 57.8 | Low | 75.8 | Confident | 184 Ų | 184 | 69.5 Ų | 69.5 | 86% | 0.86 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -65.7 | -42.4 | 173.4 | -65.4 | -179.7 | 175.9 | 0 | 0 | 110.3 | K631 D635 | E629-K631 VanDerWaalsContact C-N 3.28Å; E629-K631 PolarHBondContact O-N 3.15Å; E629-D635 PolarHBondContact N-OD1 3.37Å |
| 630 | D | 59.6 | Low | 75 | Confident | 39 Ų | 39 | 75 Ų | 75 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -77.2 | 73.2 | 171.5 | -92.7 | -12.1 | 0 | 0 | 0 | 111.5 | S628 L632 L633 R642 | S628-D630 VanDerWaalsContact C-N 3.34Å; S628-D630 PolarHBondContact OG-O 2.84Å; D630-L632 PolarHBondContact O-N 3.09Å; D630-L633 HydrophobicContact CB-CB 4.26Å; D630-L633 WeakPolarHBondContact O-CA 3.36Å; D630-L633 PolarHBondContact O-N 3.46Å; D630-R642 IonicContact OD1-CZ 2.74Å; D630-R642 IonicContact OD1-NE 3.01Å; D630-R642 PolarHBondContact OD1-NE 2.95Å; D630-R642 IonicContact OD1-NH1 3.28Å; D630-R642 PolarHBondContact OD1-NH1 3.43Å; D630-R642 IonicContact OD1-NH2 3.2Å; D630-R642 PolarHBondContact OD1-NH2 3.48Å; D630-R642 IonicContact OD2-CZ 3.69Å; D630-R642 IonicContact OD2-NE 3.78Å; D630-R642 PolarHBondContact OD2-NE 2.83Å; D630-R642 IonicContact OD2-NH2 2.95Å; D630-R642 PolarHBondContact OD2-NH2 3.07Å |
| 631 | K | 64.2 | Low | 74.7 | Confident | 180 Ų | 180 | 77.4 Ų | 77.4 | 78% | 0.783 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.7 | 118.9 | 176.5 | -64.6 | 175.5 | -177.6 | 173.9 | 0 | 112.8 | E629 | E629-K631 VanDerWaalsContact C-N 3.28Å; E629-K631 PolarHBondContact O-N 3.15Å |
| 632 | L | 78 | Confident | 74.4 | Confident | 87 Ų | 87 | 84 Ų | 84 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -8.5 | -177.2 | -50.5 | 178 | 0 | 0 | 0 | 117.1 | L624 D630 | L624-L632 WeakPolarHBondContact CA-O 3.5Å; L624-L632 HydrophobicContact CD2-CB 3.97Å; L624-L632 HydrophobicContact CD2-CD2 3.95Å; L624-L632 HydrophobicContact CD2-CG 4.47Å; L624-L632 PolarHBondContact N-O 2.92Å; D630-L632 PolarHBondContact O-N 3.09Å |
| 633 | L | 82.5 | Confident | 74.5 | Confident | 3 Ų | 3 | 85.2 Ų | 85.2 | 2% | 0.016 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -105 | -136.7 | 175.1 | -58.7 | 178.1 | 0 | 0 | 0 | 110.3 | L623 S628 D630 L637 R642 Y645 F646 | L623-L633 HydrophobicContact CD1-CD2 4.43Å; L623-L633 HydrophobicContact CD2-CD2 4.28Å; S628-L633 PolarHBondContact OG-O 3.29Å; D630-L633 HydrophobicContact CB-CB 4.26Å; D630-L633 WeakPolarHBondContact O-CA 3.36Å; D630-L633 PolarHBondContact O-N 3.46Å; L633-L637 HydrophobicContact CD1-CD1 3.94Å; L633-R642 HydrophobicContact CD1-CB 4.17Å; L633-R642 HydrophobicContact CD1-CG 4.01Å; L633-Y645 HydrophobicContact CD2-CG 4.32Å; L633-F646 HydrophobicContact CD1-CE2 4.09Å; L633-F646 HydrophobicContact CD1-CZ 4.2Å; L633-F646 HydrophobicContact CD2-CE1 4.44Å; L633-F646 HydrophobicContact CD2-CE2 4.49Å; L633-F646 HydrophobicContact CD2-CZ 4.19Å; L633-F646 HydrophobicContact CG-CZ 4.15Å |
| 634 | R | 81.3 | Confident | 74.7 | Confident | 28 Ų | 28 | 88.8 Ų | 88.8 | 11% | 0.106 | 42% | 0.421 | C | S | . | . | trans | -148.4 | 159.8 | 172 | 62.8 | 164.3 | -178.2 | -108.4 | -25.3 | 108.6 | W621 L623 E636 L637 E697 N698 L701 | W621-R634 PolarHBondContact O-NH1 3.21Å; L623-R634 HydrophobicContact CD2-CG 4.32Å; R634-E636 WeakPolarHBondContact CD-O 3.4Å; R634-E636 PolarHBondContact NE-O 2.85Å; R634-E636 PolarHBondContact O-N 3.3Å; R634-L637 HydrophobicContact CG-CD2 3.79Å; R634-E697 IonicContact NH2-OE1 3.45Å; R634-E697 PolarHBondContact NH2-OE1 3.06Å; R634-E697 IonicContact NH2-OE2 2.82Å; R634-E697 PolarHBondContact NH2-OE2 2.91Å; R634-N698 PolarHBondContact NH1-OD1 3.24Å; R634-L701 VanDerWaalsContact NE-CD1 3.33Å | ||
| 635 | D | 70.3 | Confident | 75.2 | Confident | 114 Ų | 114 | 85.7 Ų | 85.7 | 61% | 0.61 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -64.4 | -36.5 | -171 | -43.4 | -43.5 | 0 | 0 | 0 | 113.7 | S628 E629 | S628-D635 WeakPolarHBondContact CA-OD1 3.25Å; S628-D635 WeakPolarHBondContact CB-OD1 3.19Å; E629-D635 PolarHBondContact N-OD1 3.37Å |
| 636 | E | 72 | Confident | 76.3 | Confident | 127 Ų | 127 | 85.6 Ų | 85.6 | 59% | 0.593 | 40% | 0.401 | S | S | * | . | trans | -102 | 114.9 | 178.4 | -68.4 | -169.3 | 174.1 | 0 | 0 | 112.5 | R634 L701 | R634-E636 WeakPolarHBondContact CD-O 3.4Å; R634-E636 PolarHBondContact NE-O 2.85Å; R634-E636 PolarHBondContact O-N 3.3Å; E636-L701 HydrophobicContact CB-CD1 4.25Å; E636-L701 HydrophobicContact CB-CD2 4.16Å; E636-L701 VanDerWaalsContact O-CD1 3.3Å; E636-L701 WeakPolarHBondContact O-CD1 3.31Å | ||
| 637 | L | 82.1 | Confident | 77.9 | Confident | 48 Ų | 48 | 86.3 Ų | 86.3 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | trans | -122.2 | 128.5 | 177.8 | -56.9 | 178 | 0 | 0 | 0 | 110.8 | L633 R634 R642 Y645 | L633-L637 HydrophobicContact CD1-CD1 3.94Å; R634-L637 HydrophobicContact CG-CD2 3.79Å; L637-R642 HydrophobicContact CD1-CG 4.23Å; L637-Y645 HydrophobicContact CB-CE2 4.44Å; L637-Y645 HydrophobicContact CD1-CE2 4.38Å; L637-Y645 HydrophobicContact CD2-CD1 4.4Å; L637-Y645 HydrophobicContact CD2-CE1 3.81Å; L637-Y645 HydrophobicContact CD2-CE2 4.31Å | ||
| 638 | V | 76.7 | Confident | 79.5 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -90.9 | -30.4 | -179.4 | -171 | 0 | 0 | 0 | 0 | 111.8 | V354 Y645 E697 L701 | V354-V638 HydrophobicContact CG2-CG1 4.1Å; V638-Y645 PolarHBondContact N-OH 3.38Å; V638-E697 HydrophobicContact CB-CG 3.8Å; V638-E697 HydrophobicContact CG2-CG 3.57Å; V638-E697 PolarHBondContact N-OE1 2.68Å; V638-L701 HydrophobicContact CG2-CD1 4.24Å; V638-L701 HydrophobicContact CG2-CD2 3.82Å; V638-L701 HydrophobicContact CG2-CG 4.16Å |
| 639 | Y | 82.2 | Confident | 81.1 | Confident | 21 Ų | 21 | 76 Ų | 76 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -89.7 | 114.6 | 178.3 | -53.6 | -69.4 | 0 | 0 | 0 | 110.2 | S352 Y641 Y645 F693 F694 E697 | S352-Y639 WeakPolarHBondContact OG-CD1 3.32Å; S352-Y639 WeakPolarHBondContact OG-CE1 3.28Å; Y639-Y641 PolarHBondContact O-N 2.66Å; Y639-Y645 HydrophobicContact CD2-CE1 4.46Å; Y639-Y645 AromaticContact CD2-CZ 3.98Å; Y639-Y645 WeakPolarHBondContact CD2-OH 3.25Å; Y639-Y645 PolarHBondContact N-OH 3.08Å; Y639-Y645 VanDerWaalsContact N-OH 3.14Å; Y639-F693 HydrophobicContact CE1-CD1 4.36Å; Y639-F693 HydrophobicContact CE2-CB 4.18Å; Y639-F693 PolarHBondContact OH-O 2.93Å; Y639-F694 HydrophobicContact CD2-CD1 4.16Å; Y639-F694 AromaticContact CD2-CE1 3.97Å; Y639-F694 HydrophobicContact CD2-CE1 3.97Å; Y639-F694 HydrophobicContact CE2-CD1 4.17Å; Y639-F694 HydrophobicContact CE2-CE1 4.32Å; Y639-E697 HydrophobicContact CD2-CG 4.39Å; Y639-E697 VanDerWaalsContact CD2-OE2 3.3Å; Y639-E697 WeakPolarHBondContact CD2-OE2 3.48Å; Y639-E697 HydrophobicContact CE2-CB 3.79Å; Y639-E697 HydrophobicContact CE2-CG 3.94Å; Y639-E697 WeakPolarHBondContact CE2-OE2 3.45Å |
| 640 | R | 74.4 | Confident | 82.9 | Confident | 189 Ų | 189 | 72.3 Ų | 72.3 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -47.3 | -31 | -171.3 | 178.2 | 176.2 | 177 | 126.2 | 9.2 | 116.5 | ||
| 641 | Y | 84.6 | Confident | 84.6 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 21% | 0.208 | 33% | 0.332 | C | S | . | . | trans | -104.6 | 108.2 | -171.3 | -66.5 | -90.7 | 0 | 0 | 0 | 111 | Y639 G643 Y644 R829 | Y639-Y641 PolarHBondContact O-N 2.66Å; Y641-G643 PolarHBondContact O-N 2.96Å; Y641-G643 VanDerWaalsContact O-N 3.09Å; Y641-Y644 AromaticContact CD2-CE2 3.88Å; Y641-Y644 HydrophobicContact CD2-CE2 3.88Å; Y641-Y644 AromaticContact CD2-CZ 3.79Å; Y641-Y644 HydrophobicContact CG-CE2 4.31Å; Y641-Y644 WeakPolarHBondContact O-CB 3.29Å; Y641-Y644 PolarHBondContact O-N 2.77Å; Y641-R829 WeakPolarHBondContact OH-CB 3.48Å | ||
| 642 | R | 87 | Confident | 86.2 | Confident | 139 Ų | 139 | 62.9 Ų | 62.9 | 53% | 0.525 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -34.6 | 175.7 | -68.9 | -176.9 | 179.9 | 150.5 | 5.8 | 112.8 | D630 L633 L637 Y644 Y645 F646 | D630-R642 IonicContact OD1-CZ 2.74Å; D630-R642 IonicContact OD1-NE 3.01Å; D630-R642 PolarHBondContact OD1-NE 2.95Å; D630-R642 IonicContact OD1-NH1 3.28Å; D630-R642 PolarHBondContact OD1-NH1 3.43Å; D630-R642 IonicContact OD1-NH2 3.2Å; D630-R642 PolarHBondContact OD1-NH2 3.48Å; D630-R642 IonicContact OD2-CZ 3.69Å; D630-R642 IonicContact OD2-NE 3.78Å; D630-R642 PolarHBondContact OD2-NE 2.83Å; D630-R642 IonicContact OD2-NH2 2.95Å; D630-R642 PolarHBondContact OD2-NH2 3.07Å; L633-R642 HydrophobicContact CD1-CB 4.17Å; L633-R642 HydrophobicContact CD1-CG 4.01Å; L637-R642 HydrophobicContact CD1-CG 4.23Å; R642-Y644 PolarHBondContact O-N 3.08Å; R642-Y644 VanDerWaalsContact O-N 3.14Å; R642-Y645 PolarHBondContact O-N 3.09Å; R642-F646 HydrophobicContact CB-CE2 4.39Å; R642-F646 WeakPolarHBondContact O-CD2 3.35Å; R642-F646 PolarHBondContact O-N 3.11Å |
| 643 | G | 89.8 | Confident | 87 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.1 | -24.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y641 Y645 F647 | Y641-G643 PolarHBondContact O-N 2.96Å; Y641-G643 VanDerWaalsContact O-N 3.09Å; G643-Y645 VanDerWaalsContact C-N 3.34Å; G643-F647 VanDerWaalsContact O-CB 3.3Å; G643-F647 WeakPolarHBondContact O-CB 3.44Å; G643-F647 PolarHBondContact O-N 2.94Å |
| 644 | Y | 91.9 | Very high | 87.7 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 31% | 0.314 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.7 | -35.8 | 174.8 | -63 | -19.8 | 0 | 0 | 0 | 112.3 | Y641 R642 A648 F694 | Y641-Y644 AromaticContact CD2-CE2 3.88Å; Y641-Y644 HydrophobicContact CD2-CE2 3.88Å; Y641-Y644 AromaticContact CD2-CZ 3.79Å; Y641-Y644 HydrophobicContact CG-CE2 4.31Å; Y641-Y644 WeakPolarHBondContact O-CB 3.29Å; Y641-Y644 PolarHBondContact O-N 2.77Å; R642-Y644 PolarHBondContact O-N 3.08Å; R642-Y644 VanDerWaalsContact O-N 3.14Å; Y644-A648 WeakPolarHBondContact O-CB 3.45Å; Y644-A648 PolarHBondContact O-N 3.47Å; Y644-F694 WeakPolarHBondContact O-CZ 3.39Å |
| 645 | Y | 92.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.4 | -45.4 | 178.7 | -58.2 | -99.5 | 0 | 0 | 0 | 110.3 | L623 L633 L637 V638 Y639 R642 G643 A648 I649 F694 E697 | L623-Y645 HydrophobicContact CD1-CD1 4.26Å; L623-Y645 HydrophobicContact CD2-CD1 4.19Å; L633-Y645 HydrophobicContact CD2-CG 4.32Å; L637-Y645 HydrophobicContact CB-CE2 4.44Å; L637-Y645 HydrophobicContact CD1-CE2 4.38Å; L637-Y645 HydrophobicContact CD2-CD1 4.4Å; L637-Y645 HydrophobicContact CD2-CE1 3.81Å; L637-Y645 HydrophobicContact CD2-CE2 4.31Å; V638-Y645 PolarHBondContact N-OH 3.38Å; Y639-Y645 HydrophobicContact CD2-CE1 4.46Å; Y639-Y645 AromaticContact CD2-CZ 3.98Å; Y639-Y645 WeakPolarHBondContact CD2-OH 3.25Å; Y639-Y645 PolarHBondContact N-OH 3.08Å; Y639-Y645 VanDerWaalsContact N-OH 3.14Å; R642-Y645 PolarHBondContact O-N 3.09Å; G643-Y645 VanDerWaalsContact C-N 3.34Å; Y645-A648 PolarHBondContact O-N 2.89Å; Y645-I649 VanDerWaalsContact O-CG1 3.3Å; Y645-I649 WeakPolarHBondContact O-CG1 3.33Å; Y645-I649 PolarHBondContact O-N 2.75Å; Y645-F694 AromaticContact CD1-CD1 3.52Å; Y645-F694 HydrophobicContact CD1-CD1 3.52Å; Y645-F694 AromaticContact CD1-CE1 3.45Å; Y645-F694 HydrophobicContact CD1-CE1 3.45Å; Y645-F694 VanDerWaalsContact CD1-CE1 3.45Å; Y645-F694 HydrophobicContact CD2-CE1 4.28Å; Y645-F694 AromaticContact CE1-CD1 3.52Å; Y645-F694 HydrophobicContact CE1-CD1 3.52Å; Y645-F694 AromaticContact CE1-CE1 3.6Å; Y645-F694 HydrophobicContact CE1-CE1 3.6Å; Y645-F694 HydrophobicContact CE2-CE1 4.4Å; Y645-F694 HydrophobicContact CG-CD1 4.34Å; Y645-F694 AromaticContact CG-CE1 3.82Å; Y645-F694 HydrophobicContact CG-CE1 3.82Å; Y645-E697 WeakPolarHBondContact CE1-OE2 3.35Å; Y645-E697 VanDerWaalsContact OH-CD 3.31Å; Y645-E697 PolarHBondContact OH-OE1 3.17Å; Y645-E697 PolarHBondContact OH-OE2 2.77Å |
| 646 | F | 92.9 | Very high | 89.5 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.1 | -66.6 | -66.7 | 0 | 0 | 0 | 112.9 | L633 R642 A648 I649 I650 | L633-F646 HydrophobicContact CD1-CE2 4.09Å; L633-F646 HydrophobicContact CD1-CZ 4.2Å; L633-F646 HydrophobicContact CD2-CE1 4.44Å; L633-F646 HydrophobicContact CD2-CE2 4.49Å; L633-F646 HydrophobicContact CD2-CZ 4.19Å; L633-F646 HydrophobicContact CG-CZ 4.15Å; R642-F646 HydrophobicContact CB-CE2 4.39Å; R642-F646 WeakPolarHBondContact O-CD2 3.35Å; R642-F646 PolarHBondContact O-N 3.11Å; F646-A648 VanDerWaalsContact C-N 3.34Å; F646-A648 PolarHBondContact O-N 3.48Å; F646-I649 HydrophobicContact CD1-CD1 4.42Å; F646-I649 PolarHBondContact O-N 2.72Å; F646-I650 WeakPolarHBondContact O-CG1 3.3Å; F646-I650 PolarHBondContact O-N 2.86Å; F646-I650 VanDerWaalsContact O-N 3.15Å |
| 647 | F | 94.7 | Very high | 90.6 | Very high | 125 Ų | 125 | 60 Ų | 60 | 55% | 0.548 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 172.8 | 174.8 | -97.1 | 0 | 0 | 0 | 111.5 | G643 I650 E651 I690 | G643-F647 VanDerWaalsContact O-CB 3.3Å; G643-F647 WeakPolarHBondContact O-CB 3.44Å; G643-F647 PolarHBondContact O-N 2.94Å; F647-I650 PolarHBondContact O-N 3.05Å; F647-E651 HydrophobicContact CE1-CB 4.18Å; F647-E651 HydrophobicContact CE1-CG 4.33Å; F647-E651 HydrophobicContact CZ-CB 4.29Å; F647-E651 HydrophobicContact CZ-CG 4.36Å; F647-E651 VanDerWaalsContact O-CB 3.28Å; F647-E651 WeakPolarHBondContact O-CB 3.39Å; F647-E651 PolarHBondContact O-N 2.92Å; F647-I690 HydrophobicContact CE1-CD1 4.06Å |
| 648 | A | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W621 Y644 Y645 F646 I650 D652 I690 F694 | W621-A648 HydrophobicContact CH2-CB 3.63Å; W621-A648 WeakPolarHBondContact CH2-O 3.4Å; W621-A648 HydrophobicContact CZ3-CB 3.65Å; Y644-A648 WeakPolarHBondContact O-CB 3.45Å; Y644-A648 PolarHBondContact O-N 3.47Å; Y645-A648 PolarHBondContact O-N 2.89Å; F646-A648 VanDerWaalsContact C-N 3.34Å; F646-A648 PolarHBondContact O-N 3.48Å; A648-I650 VanDerWaalsContact C-N 3.33Å; A648-I650 PolarHBondContact O-N 3.31Å; A648-D652 WeakPolarHBondContact O-CB 3.47Å; A648-D652 PolarHBondContact O-N 3.29Å; A648-I690 HydrophobicContact CB-CG2 3.76Å; A648-F694 HydrophobicContact CB-CD2 3.96Å; A648-F694 HydrophobicContact CB-CE2 3.35Å; A648-F694 HydrophobicContact CB-CZ 3.89Å |
| 649 | I | 94.7 | Very high | 91.8 | Very high | 23 Ų | 23 | 59.8 Ų | 59.8 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 174.4 | -69 | 162.5 | 0 | 0 | 0 | 110.7 | Y613 I617 W621 L623 Y645 F646 F653 | Y613-I649 WeakPolarHBondContact OH-CG2 3.18Å; I617-I649 HydrophobicContact CD1-CG1 4.02Å; W621-I649 HydrophobicContact CZ3-CG1 4.2Å; L623-I649 HydrophobicContact CD1-CD1 4.08Å; L623-I649 HydrophobicContact CD1-CG1 4.38Å; Y645-I649 VanDerWaalsContact O-CG1 3.3Å; Y645-I649 WeakPolarHBondContact O-CG1 3.33Å; Y645-I649 PolarHBondContact O-N 2.75Å; F646-I649 HydrophobicContact CD1-CD1 4.42Å; F646-I649 PolarHBondContact O-N 2.72Å; I649-F653 WeakPolarHBondContact O-CB 3.45Å; I649-F653 PolarHBondContact O-N 3.28Å |
| 650 | I | 95.6 | Very high | 92.4 | Very high | 106 Ų | 106 | 62.5 Ų | 62.5 | 54% | 0.544 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.6 | -45 | -178.9 | -63.7 | 166.7 | 0 | 0 | 0 | 111.5 | F646 F647 A648 D652 F653 V654 | F646-I650 WeakPolarHBondContact O-CG1 3.3Å; F646-I650 PolarHBondContact O-N 2.86Å; F646-I650 VanDerWaalsContact O-N 3.15Å; F647-I650 PolarHBondContact O-N 3.05Å; A648-I650 VanDerWaalsContact C-N 3.33Å; A648-I650 PolarHBondContact O-N 3.31Å; I650-D652 PolarHBondContact O-N 3.47Å; I650-F653 PolarHBondContact O-N 3.26Å; I650-V654 HydrophobicContact CG2-CG2 4.46Å; I650-V654 WeakPolarHBondContact O-CG2 3.46Å; I650-V654 PolarHBondContact O-N 3.37Å |
| 651 | E | 95.7 | Very high | 93.2 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 178.9 | -177.4 | -96.7 | -177.5 | 0 | 0 | 111.5 | F647 V654 L655 R687 I690 | F647-E651 HydrophobicContact CE1-CB 4.18Å; F647-E651 HydrophobicContact CE1-CG 4.33Å; F647-E651 HydrophobicContact CZ-CB 4.29Å; F647-E651 HydrophobicContact CZ-CG 4.36Å; F647-E651 VanDerWaalsContact O-CB 3.28Å; F647-E651 WeakPolarHBondContact O-CB 3.39Å; F647-E651 PolarHBondContact O-N 2.92Å; E651-V654 PolarHBondContact O-N 2.91Å; E651-L655 HydrophobicContact CG-CD1 4.21Å; E651-L655 WeakPolarHBondContact O-CB 2.95Å; E651-L655 WeakPolarHBondContact O-CG 3.33Å; E651-L655 PolarHBondContact O-N 3.01Å; E651-L655 WeakPolarHBondContact OE1-CD1 3.29Å; E651-R687 WeakPolarHBondContact OE1-CA 3.34Å; E651-I690 HydrophobicContact CG-CD1 4.07Å; E651-I690 WeakPolarHBondContact OE1-CD1 3.33Å |
| 652 | D | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 179.9 | -177.3 | 86.5 | 0 | 0 | 0 | 112.3 | Y613 W621 A648 I650 R656 R687 | Y613-D652 WeakPolarHBondContact CD2-OD2 3.38Å; W621-D652 HydrophobicContact CH2-CB 3.95Å; A648-D652 WeakPolarHBondContact O-CB 3.47Å; A648-D652 PolarHBondContact O-N 3.29Å; I650-D652 PolarHBondContact O-N 3.47Å; D652-R656 VanDerWaalsContact O-CB 3.27Å; D652-R656 WeakPolarHBondContact O-CB 3.46Å; D652-R656 WeakPolarHBondContact O-CG 3.43Å; D652-R656 PolarHBondContact O-N 3.32Å; D652-R656 IonicContact OD1-CZ 3.97Å; D652-R656 IonicContact OD1-NH1 3.89Å; D652-R656 PolarHBondContact OD1-NH1 2.83Å; D652-R656 IonicContact OD2-CZ 2.75Å; D652-R656 IonicContact OD2-NH1 3.71Å; D652-R656 PolarHBondContact OD2-NH1 3.03Å; D652-R687 HydrophobicContact CB-CG 4.44Å; D652-R687 VanDerWaalsContact OD1-CD 3.3Å; D652-R687 WeakPolarHBondContact OD1-CD 3.39Å; D652-R687 WeakPolarHBondContact OD1-CG 3.48Å; D652-R687 IonicContact OD1-CZ 2.79Å; D652-R687 IonicContact OD1-NE 3.13Å; D652-R687 IonicContact OD1-NH1 2.72Å; D652-R687 PolarHBondContact OD1-NH1 2.83Å |
| 653 | F | 96.1 | Very high | 93.5 | Very high | 98 Ų | 98 | 50.8 Ų | 50.8 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.4 | -52.4 | 173.4 | 178.9 | -102.5 | 0 | 0 | 0 | 111.5 | Y613 I649 I650 L655 R656 L657 | Y613-F653 HydrophobicContact CD1-CD2 4.37Å; Y613-F653 HydrophobicContact CD2-CB 4.23Å; Y613-F653 HydrophobicContact CD2-CD2 4.37Å; Y613-F653 HydrophobicContact CE1-CD2 4.09Å; Y613-F653 HydrophobicContact CE2-CB 3.63Å; Y613-F653 HydrophobicContact CE2-CD2 4.11Å; Y613-F653 HydrophobicContact CE2-CG 4.37Å; Y613-F653 AromaticContact CZ-CD2 3.95Å; I649-F653 WeakPolarHBondContact O-CB 3.45Å; I649-F653 PolarHBondContact O-N 3.28Å; I650-F653 PolarHBondContact O-N 3.26Å; F653-L655 PolarHBondContact O-N 3.03Å; F653-R656 PolarHBondContact O-N 3.36Å; F653-L657 HydrophobicContact CD1-CD1 4.37Å; F653-L657 HydrophobicContact CE1-CD1 3.8Å; F653-L657 HydrophobicContact CE2-CD1 4.34Å; F653-L657 HydrophobicContact CZ-CD1 3.78Å; F653-L657 WeakPolarHBondContact O-CG 3.38Å; F653-L657 PolarHBondContact O-N 3.48Å |
| 654 | V | 96 | Very high | 93.6 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 52% | 0.515 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | -179 | 170.8 | 0 | 0 | 0 | 0 | 111 | I650 E651 R656 L657 | I650-V654 HydrophobicContact CG2-CG2 4.46Å; I650-V654 WeakPolarHBondContact O-CG2 3.46Å; I650-V654 PolarHBondContact O-N 3.37Å; E651-V654 PolarHBondContact O-N 2.91Å; V654-R656 PolarHBondContact O-N 3.19Å; V654-L657 PolarHBondContact O-N 3.42Å; V654-L657 VanDerWaalsContact O-N 3.13Å |
| 655 | L | 95.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.9 | -27.8 | -178.2 | -67.7 | -170.4 | 0 | 0 | 0 | 113.3 | E651 F653 L657 T658 T683 R687 | E651-L655 HydrophobicContact CG-CD1 4.21Å; E651-L655 WeakPolarHBondContact O-CB 2.95Å; E651-L655 WeakPolarHBondContact O-CG 3.33Å; E651-L655 PolarHBondContact O-N 3.01Å; E651-L655 WeakPolarHBondContact OE1-CD1 3.29Å; F653-L655 PolarHBondContact O-N 3.03Å; L655-L657 PolarHBondContact O-N 3.32Å; L655-T658 HydrophobicContact CD2-CG2 4.02Å; L655-T658 WeakPolarHBondContact O-CB 3.49Å; L655-T658 VanDerWaalsContact O-CG2 3.23Å; L655-T658 WeakPolarHBondContact O-CG2 3.4Å; L655-T658 PolarHBondContact O-N 3.22Å; L655-T658 PolarHBondContact O-OG1 3.2Å; L655-T683 HydrophobicContact CD2-CG2 4.2Å; L655-R687 HydrophobicContact CB-CB 4.37Å; L655-R687 HydrophobicContact CB-CG 4.17Å; L655-R687 HydrophobicContact CD1-CB 3.87Å; L655-R687 HydrophobicContact CD1-CG 4.32Å |
| 656 | R | 94.5 | Very high | 92.8 | Very high | 28 Ų | 28 | 54.5 Ų | 54.5 | 11% | 0.106 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -22.5 | 168.9 | -84.1 | -172 | 151.1 | 94.2 | 7.6 | 113.6 | T612 D616 D652 F653 V654 | T612-R656 VanDerWaalsContact C-NE 3.33Å; T612-R656 PolarHBondContact O-NH2 2.93Å; T612-R656 VanDerWaalsContact O-NH2 3.09Å; T612-R656 PolarHBondContact OG1-NE 3.36Å; D616-R656 IonicContact OD1-NH1 2.77Å; D616-R656 IonicContact OD1-NH2 2.66Å; D616-R656 PolarHBondContact OD1-NH2 3.25Å; D616-R656 IonicContact OD2-CZ 3.69Å; D616-R656 VanDerWaalsContact OD2-CZ 3.23Å; D616-R656 IonicContact OD2-NH1 2.65Å; D616-R656 PolarHBondContact OD2-NH1 3.47Å; D616-R656 IonicContact OD2-NH2 3.69Å; D616-R656 PolarHBondContact OD2-NH2 3.45Å; D652-R656 VanDerWaalsContact O-CB 3.27Å; D652-R656 WeakPolarHBondContact O-CB 3.46Å; D652-R656 WeakPolarHBondContact O-CG 3.43Å; D652-R656 PolarHBondContact O-N 3.32Å; D652-R656 IonicContact OD1-CZ 3.97Å; D652-R656 IonicContact OD1-NH1 3.89Å; D652-R656 PolarHBondContact OD1-NH1 2.83Å; D652-R656 IonicContact OD2-CZ 2.75Å; D652-R656 IonicContact OD2-NH1 3.71Å; D652-R656 PolarHBondContact OD2-NH1 3.03Å; F653-R656 PolarHBondContact O-N 3.36Å; V654-R656 PolarHBondContact O-N 3.19Å |
| 657 | L | 94.8 | Very high | 92.4 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 31% | 0.314 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.6 | 176.2 | -62.4 | 178.5 | 0 | 0 | 0 | 114.1 | F653 V654 L655 W659 I660 | F653-L657 HydrophobicContact CD1-CD1 4.37Å; F653-L657 HydrophobicContact CE1-CD1 3.8Å; F653-L657 HydrophobicContact CE2-CD1 4.34Å; F653-L657 HydrophobicContact CZ-CD1 3.78Å; F653-L657 WeakPolarHBondContact O-CG 3.38Å; F653-L657 PolarHBondContact O-N 3.48Å; V654-L657 PolarHBondContact O-N 3.42Å; V654-L657 VanDerWaalsContact O-N 3.13Å; L655-L657 PolarHBondContact O-N 3.32Å; L657-W659 PolarHBondContact O-N 3.07Å; L657-I660 HydrophobicContact CB-CD1 4.23Å; L657-I660 HydrophobicContact CD2-CD1 4.16Å; L657-I660 WeakPolarHBondContact O-CB 3.32Å; L657-I660 WeakPolarHBondContact O-CG1 3.4Å; L657-I660 PolarHBondContact O-N 2.99Å |
| 658 | T | 92.3 | Very high | 92 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 22% | 0.221 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.3 | -23.3 | 178.5 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | L655 I660 A661 R662 F680 | L655-T658 HydrophobicContact CD2-CG2 4.02Å; L655-T658 WeakPolarHBondContact O-CB 3.49Å; L655-T658 VanDerWaalsContact O-CG2 3.23Å; L655-T658 WeakPolarHBondContact O-CG2 3.4Å; L655-T658 PolarHBondContact O-N 3.22Å; L655-T658 PolarHBondContact O-OG1 3.2Å; T658-I660 PolarHBondContact O-N 3.5Å; T658-A661 PolarHBondContact O-N 2.96Å; T658-R662 WeakPolarHBondContact O-CB 3.39Å; T658-R662 PolarHBondContact O-N 3.34Å; T658-F680 HydrophobicContact CG2-CD1 3.85Å; T658-F680 HydrophobicContact CG2-CE1 4.14Å |
| 659 | W | 92.2 | Very high | 91.2 | Very high | 34 Ų | 34 | 62.1 Ų | 62.1 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -27 | 174.4 | 66.3 | -95.2 | 0 | 0 | 0 | 113 | I602 I606 S609 L657 L663 | I602-W659 HydrophobicContact CG1-CZ3 4.36Å; I602-W659 HydrophobicContact CG2-CH2 4.31Å; I606-W659 HydrophobicContact CG1-CH2 3.96Å; I606-W659 HydrophobicContact CG1-CZ2 3.86Å; S609-W659 PolarHBondContact OG-NE1 2.85Å; L657-W659 PolarHBondContact O-N 3.07Å; W659-L663 WeakPolarHBondContact O-CB 3.41Å; W659-L663 PolarHBondContact O-N 3.35Å |
| 660 | I | 94.4 | Very high | 90.4 | Very high | 78 Ų | 78 | 65 Ų | 65 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.1 | -51.6 | 176.1 | -58.2 | 177.5 | 0 | 0 | 0 | 109.8 | L657 T658 R662 L663 S664 | L657-I660 HydrophobicContact CB-CD1 4.23Å; L657-I660 HydrophobicContact CD2-CD1 4.16Å; L657-I660 WeakPolarHBondContact O-CB 3.32Å; L657-I660 WeakPolarHBondContact O-CG1 3.4Å; L657-I660 PolarHBondContact O-N 2.99Å; T658-I660 PolarHBondContact O-N 3.5Å; I660-R662 VanDerWaalsContact C-N 3.35Å; I660-R662 PolarHBondContact O-N 3.4Å; I660-L663 PolarHBondContact O-N 2.83Å; I660-S664 PolarHBondContact O-N 3.09Å; I660-S664 PolarHBondContact O-OG 3.38Å |
| 661 | A | 91.8 | Very high | 89.1 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T658 S664 F665 F680 | T658-A661 PolarHBondContact O-N 2.96Å; A661-S664 WeakPolarHBondContact O-CB 3.48Å; A661-S664 PolarHBondContact O-N 3.44Å; A661-F665 WeakPolarHBondContact O-CD2 3.31Å; A661-F665 PolarHBondContact O-N 3.47Å; A661-F680 HydrophobicContact CB-CE1 4.09Å; A661-F680 HydrophobicContact CB-CZ 3.64Å |
| 662 | R | 88.7 | Confident | 88.3 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 26% | 0.26 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56 | -53.6 | 172.3 | 179.7 | -170 | 168.8 | 125.9 | 17.9 | 112 | T658 I660 S664 F665 E666 F680 | T658-R662 WeakPolarHBondContact O-CB 3.39Å; T658-R662 PolarHBondContact O-N 3.34Å; I660-R662 VanDerWaalsContact C-N 3.35Å; I660-R662 PolarHBondContact O-N 3.4Å; R662-S664 PolarHBondContact O-N 2.86Å; R662-F665 PolarHBondContact O-N 3.08Å; R662-E666 HydrophobicContact CG-CG 4.42Å; R662-E666 IonicContact CZ-OE1 3.22Å; R662-E666 IonicContact NE-OE1 2.77Å; R662-E666 PolarHBondContact NE-OE1 3.43Å; R662-E666 IonicContact NE-OE2 3.49Å; R662-E666 PolarHBondContact NE-OE2 3.28Å; R662-E666 IonicContact NH2-OE1 2.69Å; R662-E666 PolarHBondContact NH2-OE1 2.92Å; R662-E666 WeakPolarHBondContact O-CG 3.49Å; R662-E666 PolarHBondContact O-N 3.11Å; R662-F680 HydrophobicContact CB-CD2 4.11Å; R662-F680 HydrophobicContact CB-CE2 3.93Å |
| 663 | L | 89.5 | Confident | 87.5 | Confident | 26 Ų | 26 | 72.3 Ų | 72.3 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.2 | -35.7 | 179.7 | 179.5 | 65.6 | 0 | 0 | 0 | 111.5 | L589 L598 Y601 I602 W659 I660 R667 | L589-L663 HydrophobicContact CD2-CD1 4.37Å; L598-L663 HydrophobicContact CD1-CD1 4.34Å; L598-L663 HydrophobicContact CD1-CD2 4.11Å; Y601-L663 HydrophobicContact CD1-CD1 4.25Å; Y601-L663 HydrophobicContact CD1-CD2 4.07Å; Y601-L663 HydrophobicContact CE1-CD1 4.01Å; Y601-L663 HydrophobicContact CE1-CD2 4.03Å; Y601-L663 HydrophobicContact CE1-CG 4.46Å; I602-L663 HydrophobicContact CG1-CD2 4.19Å; W659-L663 WeakPolarHBondContact O-CB 3.41Å; W659-L663 PolarHBondContact O-N 3.35Å; I660-L663 PolarHBondContact O-N 2.83Å; L663-R667 VanDerWaalsContact O-CB 3.31Å; L663-R667 WeakPolarHBondContact O-CB 3.45Å; L663-R667 PolarHBondContact O-N 3.45Å |
| 664 | S | 91.1 | Very high | 86.9 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -49.1 | 175.2 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | I660 A661 R662 E666 R667 I668 | I660-S664 PolarHBondContact O-N 3.09Å; I660-S664 PolarHBondContact O-OG 3.38Å; A661-S664 WeakPolarHBondContact O-CB 3.48Å; A661-S664 PolarHBondContact O-N 3.44Å; R662-S664 PolarHBondContact O-N 2.86Å; S664-E666 PolarHBondContact O-N 3.18Å; S664-R667 PolarHBondContact O-N 3.28Å; S664-I668 WeakPolarHBondContact O-CB 3.42Å; S664-I668 WeakPolarHBondContact O-CD1 3.4Å; S664-I668 VanDerWaalsContact O-CG1 3.25Å; S664-I668 WeakPolarHBondContact O-CG1 3.48Å; S664-I668 PolarHBondContact O-N 3.43Å |
| 665 | F | 87.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 31% | 0.311 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 176.4 | -73.6 | -64 | 0 | 0 | 0 | 112.9 | A661 R662 I668 G669 F670 M673 I676 F680 | A661-F665 WeakPolarHBondContact O-CD2 3.31Å; A661-F665 PolarHBondContact O-N 3.47Å; R662-F665 PolarHBondContact O-N 3.08Å; F665-I668 PolarHBondContact O-N 3.01Å; F665-G669 PolarHBondContact O-N 3.46Å; F665-F670 HydrophobicContact CB-CB 4.43Å; F665-F670 HydrophobicContact CD1-CB 4.18Å; F665-F670 HydrophobicContact CD1-CD2 4.45Å; F665-F670 HydrophobicContact CD1-CG 4.18Å; F665-F670 PolarHBondContact O-N 3.04Å; F665-M673 HydrophobicContact CB-CE 4.04Å; F665-M673 HydrophobicContact CB-SD 3.95Å; F665-I676 HydrophobicContact CB-CG2 4.28Å; F665-I676 HydrophobicContact CD2-CG2 3.68Å; F665-I676 HydrophobicContact CE2-CG2 4.23Å; F665-I676 HydrophobicContact CG-CG2 4.05Å; F665-F680 HydrophobicContact CD2-CE2 4.08Å; F665-F680 HydrophobicContact CD2-CZ 4.17Å; F665-F680 HydrophobicContact CE2-CE2 4.49Å; F665-F680 HydrophobicContact CE2-CZ 4.19Å |
| 666 | E | 80.6 | Confident | 86.1 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 36% | 0.36 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 174.8 | -73.7 | 173.6 | 162.7 | 0 | 0 | 111.3 | R662 S664 G669 M673 | R662-E666 HydrophobicContact CG-CG 4.42Å; R662-E666 IonicContact CZ-OE1 3.22Å; R662-E666 IonicContact NE-OE1 2.77Å; R662-E666 PolarHBondContact NE-OE1 3.43Å; R662-E666 IonicContact NE-OE2 3.49Å; R662-E666 PolarHBondContact NE-OE2 3.28Å; R662-E666 IonicContact NH2-OE1 2.69Å; R662-E666 PolarHBondContact NH2-OE1 2.92Å; R662-E666 WeakPolarHBondContact O-CG 3.49Å; R662-E666 PolarHBondContact O-N 3.11Å; S664-E666 PolarHBondContact O-N 3.18Å; E666-G669 PolarHBondContact O-N 2.93Å; E666-M673 HydrophobicContact CG-CE 3.53Å; E666-M673 HydrophobicContact CG-SD 4.46Å |
| 667 | R | 84.5 | Confident | 85.8 | Confident | 182 Ų | 182 | 67.6 Ų | 67.6 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -75.9 | -28.6 | 179.3 | -162.3 | 175.3 | -164.7 | -170.8 | 6.1 | 114.1 | L663 S664 G669 | L663-R667 VanDerWaalsContact O-CB 3.31Å; L663-R667 WeakPolarHBondContact O-CB 3.45Å; L663-R667 PolarHBondContact O-N 3.45Å; S664-R667 PolarHBondContact O-N 3.28Å; R667-G669 PolarHBondContact O-N 3.18Å |
| 668 | I | 86.6 | Confident | 85.7 | Confident | 129 Ų | 129 | 65.8 Ų | 65.8 | 66% | 0.662 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -73.5 | -14.7 | 172.3 | -69.6 | 165 | 0 | 0 | 0 | 111.4 | S664 F665 | S664-I668 WeakPolarHBondContact O-CB 3.42Å; S664-I668 WeakPolarHBondContact O-CD1 3.4Å; S664-I668 VanDerWaalsContact O-CG1 3.25Å; S664-I668 WeakPolarHBondContact O-CG1 3.48Å; S664-I668 PolarHBondContact O-N 3.43Å; F665-I668 PolarHBondContact O-N 3.01Å |
| 669 | G | 78 | Confident | 85.7 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 33.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F665 E666 R667 A671 | F665-G669 PolarHBondContact O-N 3.46Å; E666-G669 PolarHBondContact O-N 2.93Å; R667-G669 PolarHBondContact O-N 3.18Å; G669-A671 PolarHBondContact O-N 3.02Å |
| 670 | F | 77.5 | Confident | 85.8 | Confident | 82 Ų | 82 | 68.7 Ų | 68.7 | 36% | 0.36 | 36% | 0.359 | S | S | . | . | trans | -59.9 | 112.1 | -171.7 | -179.2 | -97.8 | 0 | 0 | 0 | 112 | F665 R672 M673 I676 | F665-F670 HydrophobicContact CB-CB 4.43Å; F665-F670 HydrophobicContact CD1-CB 4.18Å; F665-F670 HydrophobicContact CD1-CD2 4.45Å; F665-F670 HydrophobicContact CD1-CG 4.18Å; F665-F670 PolarHBondContact O-N 3.04Å; F670-R672 HydrophobicContact CD1-CB 4.37Å; F670-R672 HydrophobicContact CE1-CB 3.85Å; F670-R672 PolarHBondContact O-N 3.29Å; F670-M673 HydrophobicContact CB-SD 3.95Å; F670-M673 VanDerWaalsContact O-CG 3.26Å; F670-M673 WeakPolarHBondContact O-CG 3.26Å; F670-M673 PolarHBondContact O-N 2.93Å; F670-M673 VanDerWaalsContact O-N 3.08Å; F670-I676 HydrophobicContact CD1-CD1 4.38Å; F670-I676 HydrophobicContact CD1-CG1 3.63Å; F670-I676 HydrophobicContact CE1-CD1 3.89Å; F670-I676 HydrophobicContact CE1-CG1 3.51Å; F670-I676 HydrophobicContact CZ-CD1 4.49Å | ||
| 671 | A | 68.2 | Low | 85.8 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 78% | 0.777 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -1.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | G669 | G669-A671 PolarHBondContact O-N 3.02Š|
| 672 | R | 78.2 | Confident | 86 | Confident | 142 Ų | 142 | 65.9 Ų | 65.9 | 54% | 0.536 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 39.6 | 175.8 | -58.3 | -178.8 | -175.1 | 157.3 | 3.7 | 112.3 | F670 E674 I675 | F670-R672 HydrophobicContact CD1-CB 4.37Å; F670-R672 HydrophobicContact CE1-CB 3.85Å; F670-R672 PolarHBondContact O-N 3.29Å; R672-E674 PolarHBondContact O-N 3.44Å; R672-E674 VanDerWaalsContact O-N 3.08Å; R672-I675 HydrophobicContact CB-CD1 3.98Å; R672-I675 HydrophobicContact CB-CG1 4.26Å; R672-I675 HydrophobicContact CG-CD1 4.46Å; R672-I675 WeakPolarHBondContact O-CB 3.17Å; R672-I675 PolarHBondContact O-N 3.39Å |
| 673 | M | 80.7 | Confident | 86.3 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 22% | 0.222 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -46.4 | -39.1 | -179.4 | -75.9 | -47.9 | -55.3 | 0 | 0 | 114.2 | F665 E666 F670 I675 I676 T677 | F665-M673 HydrophobicContact CB-CE 4.04Å; F665-M673 HydrophobicContact CB-SD 3.95Å; E666-M673 HydrophobicContact CG-CE 3.53Å; E666-M673 HydrophobicContact CG-SD 4.46Å; F670-M673 HydrophobicContact CB-SD 3.95Å; F670-M673 VanDerWaalsContact O-CG 3.26Å; F670-M673 WeakPolarHBondContact O-CG 3.26Å; F670-M673 PolarHBondContact O-N 2.93Å; F670-M673 VanDerWaalsContact O-N 3.08Å; M673-I675 VanDerWaalsContact C-N 3.26Å; M673-I675 PolarHBondContact O-N 3.35Å; M673-I676 HydrophobicContact CE-CG2 4.44Å; M673-I676 PolarHBondContact O-N 3.49Å; M673-I676 VanDerWaalsContact O-N 3.11Å; M673-T677 WeakPolarHBondContact O-CB 3.21Å; M673-T677 PolarHBondContact O-N 3.4Å; M673-T677 PolarHBondContact O-OG1 3.37Å; M673-T677 VanDerWaalsContact O-OG1 3.05Å |
| 674 | E | 83.6 | Confident | 86.5 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 17% | 0.173 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -31.5 | 179.8 | -67.4 | -68.4 | -178.4 | 0 | 0 | 113.8 | L326 R327 R330 R672 T678 | L326-E674 HydrophobicContact CD2-CB 4.31Å; R327-E674 WeakPolarHBondContact CD-OE1 3.2Å; R327-E674 IonicContact CZ-OE1 3.75Å; R327-E674 IonicContact NE-OE1 2.86Å; R327-E674 IonicContact NH1-OE1 2.66Å; R327-E674 PolarHBondContact NH1-OE1 2.86Å; R330-E674 IonicContact CZ-OE2 3.62Å; R330-E674 IonicContact NH1-OE2 2.61Å; R330-E674 PolarHBondContact NH1-OE2 3.02Å; R330-E674 IonicContact NH2-OE2 2.68Å; R672-E674 PolarHBondContact O-N 3.44Å; R672-E674 VanDerWaalsContact O-N 3.08Å; E674-T678 WeakPolarHBondContact O-CB 2.98Å; E674-T678 PolarHBondContact O-N 2.97Å; E674-T678 VanDerWaalsContact O-N 3.08Å; E674-T678 PolarHBondContact O-OG1 3.24Å |
| 675 | I | 86.4 | Confident | 86.8 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.8 | -49.5 | 173.9 | -56.3 | -178.3 | 0 | 0 | 0 | 109.6 | L326 R672 M673 T677 T678 I679 | L326-I675 HydrophobicContact CD1-CG1 3.83Å; R672-I675 HydrophobicContact CB-CD1 3.98Å; R672-I675 HydrophobicContact CB-CG1 4.26Å; R672-I675 HydrophobicContact CG-CD1 4.46Å; R672-I675 WeakPolarHBondContact O-CB 3.17Å; R672-I675 PolarHBondContact O-N 3.39Å; M673-I675 VanDerWaalsContact C-N 3.26Å; M673-I675 PolarHBondContact O-N 3.35Å; I675-T677 PolarHBondContact O-N 2.98Å; I675-T678 WeakPolarHBondContact O-CB 3.41Å; I675-T678 PolarHBondContact O-N 3.13Å; I675-T678 VanDerWaalsContact O-N 3.08Å; I675-I679 HydrophobicContact CG2-CD1 4.21Å; I675-I679 WeakPolarHBondContact O-CG1 2.99Å; I675-I679 PolarHBondContact O-N 3.08Å |
| 676 | I | 87.5 | Confident | 87.2 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 179.8 | -61.2 | -59.9 | 0 | 0 | 0 | 111.1 | F665 F670 M673 T678 I679 F680 | F665-I676 HydrophobicContact CB-CG2 4.28Å; F665-I676 HydrophobicContact CD2-CG2 3.68Å; F665-I676 HydrophobicContact CE2-CG2 4.23Å; F665-I676 HydrophobicContact CG-CG2 4.05Å; F670-I676 HydrophobicContact CD1-CD1 4.38Å; F670-I676 HydrophobicContact CD1-CG1 3.63Å; F670-I676 HydrophobicContact CE1-CD1 3.89Å; F670-I676 HydrophobicContact CE1-CG1 3.51Å; F670-I676 HydrophobicContact CZ-CD1 4.49Å; M673-I676 HydrophobicContact CE-CG2 4.44Å; M673-I676 PolarHBondContact O-N 3.49Å; M673-I676 VanDerWaalsContact O-N 3.11Å; I676-T678 VanDerWaalsContact C-N 3.33Å; I676-T678 PolarHBondContact O-N 3.39Å; I676-I679 PolarHBondContact O-N 2.79Å; I676-F680 HydrophobicContact CG2-CD2 3.75Å; I676-F680 HydrophobicContact CG2-CE2 3.34Å; I676-F680 HydrophobicContact CG2-CZ 4.27Å; I676-F680 VanDerWaalsContact O-CD2 3.31Å; I676-F680 WeakPolarHBondContact O-CD2 3.3Å; I676-F680 PolarHBondContact O-N 3.04Å |
| 677 | T | 88 | Confident | 88 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 173.1 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | M673 I675 I679 F680 L681 | M673-T677 WeakPolarHBondContact O-CB 3.21Å; M673-T677 PolarHBondContact O-N 3.4Å; M673-T677 PolarHBondContact O-OG1 3.37Å; M673-T677 VanDerWaalsContact O-OG1 3.05Å; I675-T677 PolarHBondContact O-N 2.98Å; T677-I679 VanDerWaalsContact C-N 3.34Å; T677-I679 PolarHBondContact O-N 3.44Å; T677-F680 PolarHBondContact O-N 3.32Å; T677-L681 HydrophobicContact CG2-CD1 3.8Å; T677-L681 HydrophobicContact CG2-CG 4.26Å; T677-L681 WeakPolarHBondContact O-CB 3.31Å; T677-L681 VanDerWaalsContact O-CG 3.23Å; T677-L681 WeakPolarHBondContact O-CG 3.31Å; T677-L681 PolarHBondContact O-N 2.94Å |
| 678 | T | 92.2 | Very high | 88.5 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | L326 R330 E674 I675 I676 T682 | L326-T678 VanDerWaalsContact CD2-OG1 3.28Å; L326-T678 WeakPolarHBondContact CD2-OG1 3.41Å; R330-T678 WeakPolarHBondContact CD-OG1 3.44Å; R330-T678 HydrophobicContact CG-CG2 4.29Å; E674-T678 WeakPolarHBondContact O-CB 2.98Å; E674-T678 PolarHBondContact O-N 2.97Å; E674-T678 VanDerWaalsContact O-N 3.08Å; E674-T678 PolarHBondContact O-OG1 3.24Å; I675-T678 WeakPolarHBondContact O-CB 3.41Å; I675-T678 PolarHBondContact O-N 3.13Å; I675-T678 VanDerWaalsContact O-N 3.08Å; I676-T678 VanDerWaalsContact C-N 3.33Å; I676-T678 PolarHBondContact O-N 3.39Å; T678-T682 WeakPolarHBondContact O-CB 3.35Å; T678-T682 PolarHBondContact O-N 3.28Å; T678-T682 PolarHBondContact O-OG1 3.4Å |
| 679 | I | 93.6 | Very high | 89 | Confident | 92 Ų | 92 | 45 Ų | 45 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.1 | -52.2 | 174.2 | -66 | 165.5 | 0 | 0 | 0 | 110.5 | I675 I676 T677 L681 T682 T683 | I675-I679 HydrophobicContact CG2-CD1 4.21Å; I675-I679 WeakPolarHBondContact O-CG1 2.99Å; I675-I679 PolarHBondContact O-N 3.08Å; I676-I679 PolarHBondContact O-N 2.79Å; T677-I679 VanDerWaalsContact C-N 3.34Å; T677-I679 PolarHBondContact O-N 3.44Å; I679-L681 VanDerWaalsContact C-N 3.33Å; I679-L681 PolarHBondContact O-N 3.11Å; I679-T682 WeakPolarHBondContact O-CA 3.43Å; I679-T682 WeakPolarHBondContact O-CB 3.44Å; I679-T682 PolarHBondContact O-N 2.73Å; I679-T683 PolarHBondContact O-N 3.19Å; I679-T683 PolarHBondContact O-OG1 3.05Å |
| 680 | F | 93.3 | Very high | 89.9 | Confident | 39 Ų | 39 | 43.4 Ų | 43.4 | 17% | 0.171 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -37.1 | -179.6 | -71 | -50.7 | 0 | 0 | 0 | 113.5 | T658 A661 R662 F665 I676 T677 T682 T683 E684 | T658-F680 HydrophobicContact CG2-CD1 3.85Å; T658-F680 HydrophobicContact CG2-CE1 4.14Å; A661-F680 HydrophobicContact CB-CE1 4.09Å; A661-F680 HydrophobicContact CB-CZ 3.64Å; R662-F680 HydrophobicContact CB-CD2 4.11Å; R662-F680 HydrophobicContact CB-CE2 3.93Å; F665-F680 HydrophobicContact CD2-CE2 4.08Å; F665-F680 HydrophobicContact CD2-CZ 4.17Å; F665-F680 HydrophobicContact CE2-CE2 4.49Å; F665-F680 HydrophobicContact CE2-CZ 4.19Å; I676-F680 HydrophobicContact CG2-CD2 3.75Å; I676-F680 HydrophobicContact CG2-CE2 3.34Å; I676-F680 HydrophobicContact CG2-CZ 4.27Å; I676-F680 VanDerWaalsContact O-CD2 3.31Å; I676-F680 WeakPolarHBondContact O-CD2 3.3Å; I676-F680 PolarHBondContact O-N 3.04Å; T677-F680 PolarHBondContact O-N 3.32Å; F680-T682 VanDerWaalsContact C-N 3.35Å; F680-T683 WeakPolarHBondContact CA-OG1 3.43Å; F680-T683 PolarHBondContact O-N 2.89Å; F680-T683 PolarHBondContact O-OG1 3.29Å; F680-E684 PolarHBondContact O-N 3Å |
| 681 | L | 94.5 | Very high | 90.8 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 14% | 0.141 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.1 | -30.2 | 174.9 | -65.8 | 176.3 | 0 | 0 | 0 | 112.4 | L334 F462 T677 I679 V685 | L334-L681 HydrophobicContact CD1-CB 3.61Å; L334-L681 HydrophobicContact CD1-CD1 4.32Å; F462-L681 HydrophobicContact CB-CD1 3.59Å; F462-L681 HydrophobicContact CB-CD2 3.94Å; F462-L681 HydrophobicContact CB-CG 4.38Å; F462-L681 HydrophobicContact CD1-CB 4.36Å; F462-L681 HydrophobicContact CD1-CD1 4.21Å; F462-L681 HydrophobicContact CD1-CD2 3.81Å; F462-L681 HydrophobicContact CD1-CG 4.34Å; F462-L681 HydrophobicContact CD2-CD1 4.41Å; F462-L681 HydrophobicContact CG-CD1 3.82Å; F462-L681 HydrophobicContact CG-CD2 4.15Å; F462-L681 HydrophobicContact CG-CG 4.44Å; T677-L681 HydrophobicContact CG2-CD1 3.8Å; T677-L681 HydrophobicContact CG2-CG 4.26Å; T677-L681 WeakPolarHBondContact O-CB 3.31Å; T677-L681 VanDerWaalsContact O-CG 3.23Å; T677-L681 WeakPolarHBondContact O-CG 3.31Å; T677-L681 PolarHBondContact O-N 2.94Å; I679-L681 VanDerWaalsContact C-N 3.33Å; I679-L681 PolarHBondContact O-N 3.11Å; L681-V685 WeakPolarHBondContact O-CG2 3.05Å; L681-V685 PolarHBondContact O-N 2.97Å |
| 682 | T | 95.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 35 Ų | 35 | 18% | 0.184 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 169.5 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | L334 F337 T678 I679 F680 V685 I686 | L334-T682 WeakPolarHBondContact CD2-OG1 3.41Å; F337-T682 HydrophobicContact CD1-CG2 4.32Å; F337-T682 HydrophobicContact CE1-CG2 3.75Å; F337-T682 HydrophobicContact CZ-CG2 4.31Å; T678-T682 WeakPolarHBondContact O-CB 3.35Å; T678-T682 PolarHBondContact O-N 3.28Å; T678-T682 PolarHBondContact O-OG1 3.4Å; I679-T682 WeakPolarHBondContact O-CA 3.43Å; I679-T682 WeakPolarHBondContact O-CB 3.44Å; I679-T682 PolarHBondContact O-N 2.73Å; F680-T682 VanDerWaalsContact C-N 3.35Å; T682-V685 PolarHBondContact O-N 2.85Å; T682-I686 HydrophobicContact CG2-CD1 4.27Å; T682-I686 WeakPolarHBondContact O-CG1 3.43Å; T682-I686 PolarHBondContact O-N 2.66Å; T682-I686 VanDerWaalsContact O-N 3.09Å |
| 683 | T | 95.2 | Very high | 92.9 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 20% | 0.202 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66 | -38 | 178.1 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | L655 I679 F680 V685 I686 R687 | L655-T683 HydrophobicContact CD2-CG2 4.2Å; I679-T683 PolarHBondContact O-N 3.19Å; I679-T683 PolarHBondContact O-OG1 3.05Å; F680-T683 WeakPolarHBondContact CA-OG1 3.43Å; F680-T683 PolarHBondContact O-N 2.89Å; F680-T683 PolarHBondContact O-OG1 3.29Å; T683-V685 VanDerWaalsContact C-N 3.28Å; T683-V685 PolarHBondContact O-N 3.5Å; T683-I686 WeakPolarHBondContact O-CB 3.04Å; T683-I686 PolarHBondContact O-N 2.68Å; T683-I686 VanDerWaalsContact O-N 3.1Å; T683-R687 PolarHBondContact O-N 2.69Å |
| 684 | E | 95 | Very high | 93.5 | Very high | 41 Ų | 41 | 27.8 Ų | 27.8 | 19% | 0.192 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.6 | -30.8 | 175 | 173.6 | 56.2 | -162.5 | 0 | 0 | 112.6 | S459 F680 R687 R688 | S459-E684 WeakPolarHBondContact CA-OE1 3.47Å; S459-E684 WeakPolarHBondContact CB-OE1 3.45Å; S459-E684 PolarHBondContact OG-OE1 3.38Å; F680-E684 PolarHBondContact O-N 3Å; E684-R687 IonicContact OE1-CZ 3.68Å; E684-R687 IonicContact OE1-NE 2.98Å; E684-R687 IonicContact OE1-NH2 3.17Å; E684-R687 PolarHBondContact OE1-NH2 3.38Å; E684-R687 IonicContact OE2-CZ 3.68Å; E684-R687 IonicContact OE2-NE 3.23Å; E684-R687 PolarHBondContact OE2-NE 2.85Å; E684-R687 IonicContact OE2-NH2 2.7Å; E684-R687 PolarHBondContact OE2-NH2 3.33Å; E684-R688 WeakPolarHBondContact O-CB 3.32Å; E684-R688 PolarHBondContact O-N 3.01Å; E684-R688 VanDerWaalsContact O-N 3.12Å |
| 685 | V | 96.3 | Very high | 94 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.6 | -35.8 | 171.4 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | F337 F338 L341 L460 F462 L681 T682 T683 F689 | F337-V685 HydrophobicContact CD1-CB 4.4Å; F337-V685 HydrophobicContact CD1-CG1 3.75Å; F337-V685 HydrophobicContact CE1-CG1 4.09Å; F338-V685 HydrophobicContact CB-CG1 4.04Å; F338-V685 HydrophobicContact CD2-CG1 4.38Å; L341-V685 HydrophobicContact CD1-CG1 3.99Å; L460-V685 HydrophobicContact CD2-CG2 3.92Å; F462-V685 HydrophobicContact CE1-CG2 4.26Å; L681-V685 WeakPolarHBondContact O-CG2 3.05Å; L681-V685 PolarHBondContact O-N 2.97Å; T682-V685 PolarHBondContact O-N 2.85Å; T683-V685 VanDerWaalsContact C-N 3.28Å; T683-V685 PolarHBondContact O-N 3.5Å; V685-F689 WeakPolarHBondContact O-CB 3.12Å; V685-F689 PolarHBondContact O-N 2.73Å |
| 686 | I | 96 | Very high | 94.3 | Very high | 57 Ų | 57 | 24.1 Ų | 24.1 | 29% | 0.292 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67.7 | -47.2 | 174.6 | -67.2 | 167.4 | 0 | 0 | 0 | 111.1 | F337 T682 T683 R688 F689 I690 | F337-I686 HydrophobicContact CE1-CD1 4.42Å; F337-I686 HydrophobicContact CE1-CG1 3.96Å; F337-I686 HydrophobicContact CZ-CD1 4.33Å; F337-I686 HydrophobicContact CZ-CG1 4.08Å; T682-I686 HydrophobicContact CG2-CD1 4.27Å; T682-I686 WeakPolarHBondContact O-CG1 3.43Å; T682-I686 PolarHBondContact O-N 2.66Å; T682-I686 VanDerWaalsContact O-N 3.09Å; T683-I686 WeakPolarHBondContact O-CB 3.04Å; T683-I686 PolarHBondContact O-N 2.68Å; T683-I686 VanDerWaalsContact O-N 3.1Å; I686-R688 VanDerWaalsContact C-N 3.3Å; I686-R688 PolarHBondContact O-N 2.66Å; I686-F689 WeakPolarHBondContact O-CA 3.44Å; I686-F689 VanDerWaalsContact O-CB 3.29Å; I686-F689 WeakPolarHBondContact O-CB 3.26Å; I686-F689 PolarHBondContact O-N 2.86Å; I686-I690 HydrophobicContact CG2-CD1 4.17Å; I686-I690 PolarHBondContact O-N 3.13Å |
| 687 | R | 96.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 23 Ų | 23 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55 | -45.9 | 175.8 | -162.3 | -168.4 | 62.6 | 72.5 | 7.4 | 111.5 | D616 E651 D652 L655 T683 E684 F689 I690 W691 | D616-R687 IonicContact OD2-NH1 2.95Å; D616-R687 PolarHBondContact OD2-NH1 2.93Å; E651-R687 WeakPolarHBondContact OE1-CA 3.34Å; D652-R687 HydrophobicContact CB-CG 4.44Å; D652-R687 VanDerWaalsContact OD1-CD 3.3Å; D652-R687 WeakPolarHBondContact OD1-CD 3.39Å; D652-R687 WeakPolarHBondContact OD1-CG 3.48Å; D652-R687 IonicContact OD1-CZ 2.79Å; D652-R687 IonicContact OD1-NE 3.13Å; D652-R687 IonicContact OD1-NH1 2.72Å; D652-R687 PolarHBondContact OD1-NH1 2.83Å; L655-R687 HydrophobicContact CB-CB 4.37Å; L655-R687 HydrophobicContact CB-CG 4.17Å; L655-R687 HydrophobicContact CD1-CB 3.87Å; L655-R687 HydrophobicContact CD1-CG 4.32Å; T683-R687 PolarHBondContact O-N 2.69Å; E684-R687 IonicContact OE1-CZ 3.68Å; E684-R687 IonicContact OE1-NE 2.98Å; E684-R687 IonicContact OE1-NH2 3.17Å; E684-R687 PolarHBondContact OE1-NH2 3.38Å; E684-R687 IonicContact OE2-CZ 3.68Å; E684-R687 IonicContact OE2-NE 3.23Å; E684-R687 PolarHBondContact OE2-NE 2.85Å; E684-R687 IonicContact OE2-NH2 2.7Å; E684-R687 PolarHBondContact OE2-NH2 3.33Å; R687-F689 VanDerWaalsContact C-N 3.34Å; R687-F689 PolarHBondContact O-N 3.4Å; R687-I690 PolarHBondContact O-N 3.22Å; R687-W691 WeakPolarHBondContact O-CB 3.29Å; R687-W691 PolarHBondContact O-N 3.08Å |
| 688 | R | 96.2 | Very high | 94.5 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 3% | 0.034 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.1 | -35.5 | 175.3 | -176.1 | 58.2 | 63.8 | -172.5 | 0.7 | 112.7 | Q456 T458 S459 E684 I686 W691 N692 | Q456-R688 VanDerWaalsContact OE1-CG 3.27Å; T458-R688 PolarHBondContact OG1-NH2 3.01Å; T458-R688 VanDerWaalsContact OG1-NH2 3.15Å; S459-R688 PolarHBondContact OG-NE 2.9Å; S459-R688 PolarHBondContact OG-NH2 2.73Å; S459-R688 VanDerWaalsContact OG-NH2 3.12Å; E684-R688 WeakPolarHBondContact O-CB 3.32Å; E684-R688 PolarHBondContact O-N 3.01Å; E684-R688 VanDerWaalsContact O-N 3.12Å; I686-R688 VanDerWaalsContact C-N 3.3Å; I686-R688 PolarHBondContact O-N 2.66Å; R688-W691 VanDerWaalsContact NH1-CE3 3.3Å; R688-W691 VanDerWaalsContact NH1-CZ2 3.35Å; R688-N692 WeakPolarHBondContact O-CB 3.2Å; R688-N692 VanDerWaalsContact O-CG 3.27Å; R688-N692 PolarHBondContact O-N 3.44Å; R688-N692 VanDerWaalsContact O-N 3.11Å; R688-N692 PolarHBondContact O-ND2 2.62Å |
| 689 | F | 96.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 23.6 Ų | 23.6 | 12% | 0.118 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 174.1 | 155.7 | -99.9 | 0 | 0 | 0 | 112.2 | L341 V344 N345 V685 I686 R687 N692 F693 F832 | L341-F689 HydrophobicContact CB-CB 4.11Å; L341-F689 HydrophobicContact CB-CD2 3.63Å; L341-F689 HydrophobicContact CB-CE2 4.33Å; L341-F689 HydrophobicContact CB-CG 4.03Å; L341-F689 HydrophobicContact CD1-CB 3.94Å; L341-F689 HydrophobicContact CD1-CG 4.15Å; L341-F689 HydrophobicContact CD2-CD1 4.12Å; L341-F689 HydrophobicContact CD2-CD2 3.82Å; L341-F689 HydrophobicContact CD2-CE1 4.22Å; L341-F689 HydrophobicContact CD2-CE2 3.95Å; L341-F689 HydrophobicContact CD2-CG 3.92Å; L341-F689 HydrophobicContact CD2-CZ 4.14Å; L341-F689 HydrophobicContact CG-CB 4.45Å; L341-F689 HydrophobicContact CG-CD2 4.2Å; L341-F689 HydrophobicContact CG-CG 4.25Å; L341-F689 WeakPolarHBondContact O-CD2 3.21Å; V344-F689 HydrophobicContact CB-CE2 3.97Å; V344-F689 HydrophobicContact CG1-CE2 3.78Å; V344-F689 HydrophobicContact CG1-CZ 3.92Å; N345-F689 WeakPolarHBondContact ND2-CD2 3.17Å; N345-F689 PolarHBondContact ND2-O 3.32Å; N345-F689 VanDerWaalsContact ND2-O 3.16Å; N345-F689 PolarHBondContact OD1-O 3.42Å; V685-F689 WeakPolarHBondContact O-CB 3.12Å; V685-F689 PolarHBondContact O-N 2.73Å; I686-F689 WeakPolarHBondContact O-CA 3.44Å; I686-F689 VanDerWaalsContact O-CB 3.29Å; I686-F689 WeakPolarHBondContact O-CB 3.26Å; I686-F689 PolarHBondContact O-N 2.86Å; R687-F689 VanDerWaalsContact C-N 3.34Å; R687-F689 PolarHBondContact O-N 3.4Å; F689-N692 WeakPolarHBondContact O-CB 3.41Å; F689-F693 HydrophobicContact CE1-CE2 4.39Å; F689-F693 AromaticContact CE2-CE2 3.77Å; F689-F693 HydrophobicContact CE2-CE2 3.77Å; F689-F693 HydrophobicContact CE2-CZ 4.19Å; F689-F693 AromaticContact CZ-CE2 3.7Å; F689-F693 HydrophobicContact CZ-CE2 3.7Å; F689-F693 HydrophobicContact CZ-CZ 4.36Å; F689-F832 HydrophobicContact CZ-CE1 4.46Å; F689-F832 HydrophobicContact CZ-CZ 4.2Å |
| 690 | I | 96.4 | Very high | 93.8 | Very high | 23 Ų | 23 | 20 Ų | 20 | 12% | 0.118 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.9 | -48.2 | 175.9 | -73.2 | 165.2 | 0 | 0 | 0 | 111.1 | F647 A648 E651 I686 R687 N692 F693 F694 | F647-I690 HydrophobicContact CE1-CD1 4.06Å; A648-I690 HydrophobicContact CB-CG2 3.76Å; E651-I690 HydrophobicContact CG-CD1 4.07Å; E651-I690 WeakPolarHBondContact OE1-CD1 3.33Å; I686-I690 HydrophobicContact CG2-CD1 4.17Å; I686-I690 PolarHBondContact O-N 3.13Å; R687-I690 PolarHBondContact O-N 3.22Å; I690-N692 PolarHBondContact O-N 3.34Å; I690-N692 VanDerWaalsContact O-N 3.11Å; I690-F693 PolarHBondContact O-N 2.04Å; I690-F694 HydrophobicContact CG2-CD2 4.43Å; I690-F694 HydrophobicContact CG2-CE2 3.96Å; I690-F694 WeakPolarHBondContact O-CD2 3.36Å |
| 691 | W | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -52.7 | -34.6 | 175.5 | 175.5 | 99.4 | 0 | 0 | 0 | 113.3 | D455 D616 D620 W621 R687 R688 F693 F694 R695 | D455-W691 HydrophobicContact CB-CH2 3.81Å; D455-W691 HydrophobicContact CB-CZ3 4.35Å; D616-W691 PolarHBondContact OD2-NE1 3.03Å; D620-W691 HydrophobicContact CB-CZ2 4.2Å; W621-W691 AromaticContact CE2-CD1 3.83Å; W621-W691 HydrophobicContact CZ2-CB 4.08Å; W621-W691 HydrophobicContact CZ2-CG 4.41Å; W621-W691 AromaticContact NE1-CD1 3.15Å; W621-W691 AromaticContact NE1-CG 3.57Å; W621-W691 AromaticContact NE1-NE1 3.78Å; W621-W691 PolarHBondContact NE1-O 3.32Å; R687-W691 WeakPolarHBondContact O-CB 3.29Å; R687-W691 PolarHBondContact O-N 3.08Å; R688-W691 VanDerWaalsContact NH1-CE3 3.3Å; R688-W691 VanDerWaalsContact NH1-CZ2 3.35Å; W691-F693 VanDerWaalsContact C-N 3.31Å; W691-F693 PolarHBondContact O-N 2.72Å; W691-F694 PolarHBondContact O-N 2.86Å; W691-R695 HydrophobicContact CD2-CB 4.05Å; W691-R695 HydrophobicContact CE3-CB 3.99Å; W691-R695 HydrophobicContact CE3-CG 4.4Å; W691-R695 HydrophobicContact CH2-CB 4.11Å; W691-R695 HydrophobicContact CH2-CG 3.61Å; W691-R695 HydrophobicContact CZ2-CB 4.15Å; W691-R695 HydrophobicContact CZ2-CG 3.78Å; W691-R695 HydrophobicContact CZ3-CB 4.01Å; W691-R695 HydrophobicContact CZ3-CG 3.92Å; W691-R695 VanDerWaalsContact O-CB 3.25Å; W691-R695 WeakPolarHBondContact O-CB 3.42Å; W691-R695 PolarHBondContact O-N 3.12Å |
| 692 | N | 96.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.1 | -28.2 | 179 | -87.7 | -35.7 | 0 | 0 | 0 | 113.8 | N345 W349 W452 Q456 R688 F689 I690 L696 | N345-N692 WeakPolarHBondContact ND2-CB 3.32Å; W349-N692 HydrophobicContact CZ2-CB 4.04Å; W349-N692 WeakPolarHBondContact CZ2-O 3.48Å; W349-N692 PolarHBondContact NE1-O 3.31Å; W349-N692 VanDerWaalsContact NE1-O 3.17Å; W452-N692 PolarHBondContact NE1-OD1 3.29Å; Q456-N692 PolarHBondContact NE2-OD1 3.45Å; Q456-N692 PolarHBondContact OE1-ND2 2.76Å; R688-N692 WeakPolarHBondContact O-CB 3.2Å; R688-N692 VanDerWaalsContact O-CG 3.27Å; R688-N692 PolarHBondContact O-N 3.44Å; R688-N692 VanDerWaalsContact O-N 3.11Å; R688-N692 PolarHBondContact O-ND2 2.62Å; F689-N692 WeakPolarHBondContact O-CB 3.41Å; I690-N692 PolarHBondContact O-N 3.34Å; I690-N692 VanDerWaalsContact O-N 3.11Å; N692-L696 PolarHBondContact O-N 3.08Å |
| 693 | F | 94.6 | Very high | 90.7 | Very high | 23 Ų | 23 | 22.4 Ų | 22.4 | 10% | 0.101 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.2 | -52.2 | 175.5 | -79.8 | -58.1 | 0 | 0 | 0 | 111.8 | N345 W349 Y639 F689 I690 W691 E697 F832 | N345-F693 WeakPolarHBondContact OD1-CD1 3.45Å; N345-F693 WeakPolarHBondContact OD1-CE1 3.09Å; N345-F693 WeakPolarHBondContact OD1-CE2 3.32Å; N345-F693 WeakPolarHBondContact OD1-CZ 3.23Å; W349-F693 AromaticContact CD1-CD1 3.84Å; W349-F693 AromaticContact NE1-CD1 3.82Å; Y639-F693 HydrophobicContact CE1-CD1 4.36Å; Y639-F693 HydrophobicContact CE2-CB 4.18Å; Y639-F693 PolarHBondContact OH-O 2.93Å; F689-F693 HydrophobicContact CE1-CE2 4.39Å; F689-F693 AromaticContact CE2-CE2 3.77Å; F689-F693 HydrophobicContact CE2-CE2 3.77Å; F689-F693 HydrophobicContact CE2-CZ 4.19Å; F689-F693 AromaticContact CZ-CE2 3.7Å; F689-F693 HydrophobicContact CZ-CE2 3.7Å; F689-F693 HydrophobicContact CZ-CZ 4.36Å; I690-F693 PolarHBondContact O-N 2.04Å; W691-F693 VanDerWaalsContact C-N 3.31Å; W691-F693 PolarHBondContact O-N 2.72Å; F693-E697 WeakPolarHBondContact O-CB 3.5Å; F693-E697 PolarHBondContact O-N 3.03Å; F693-E697 VanDerWaalsContact O-N 3.14Å; F693-F832 HydrophobicContact CE2-CZ 4.44Å |
| 694 | F | 94 | Very high | 88.6 | Confident | 11 Ų | 11 | 22.6 Ų | 22.6 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -75.3 | -32.9 | -176.6 | -55.4 | -74 | 0 | 0 | 0 | 112.4 | W621 Y639 Y644 Y645 A648 I690 W691 E697 N698 | W621-F694 HydrophobicContact CB-CB 4.15Å; W621-F694 HydrophobicContact CD2-CB 3.82Å; W621-F694 HydrophobicContact CD2-CD2 4.41Å; W621-F694 HydrophobicContact CD2-CG 4.31Å; W621-F694 HydrophobicContact CG-CB 3.56Å; W621-F694 HydrophobicContact CG-CG 4.49Å; W621-F694 HydrophobicContact CZ2-CD2 4.38Å; Y639-F694 HydrophobicContact CD2-CD1 4.16Å; Y639-F694 AromaticContact CD2-CE1 3.97Å; Y639-F694 HydrophobicContact CD2-CE1 3.97Å; Y639-F694 HydrophobicContact CE2-CD1 4.17Å; Y639-F694 HydrophobicContact CE2-CE1 4.32Å; Y644-F694 WeakPolarHBondContact O-CZ 3.39Å; Y645-F694 AromaticContact CD1-CD1 3.52Å; Y645-F694 HydrophobicContact CD1-CD1 3.52Å; Y645-F694 AromaticContact CD1-CE1 3.45Å; Y645-F694 HydrophobicContact CD1-CE1 3.45Å; Y645-F694 VanDerWaalsContact CD1-CE1 3.45Å; Y645-F694 HydrophobicContact CD2-CE1 4.28Å; Y645-F694 AromaticContact CE1-CD1 3.52Å; Y645-F694 HydrophobicContact CE1-CD1 3.52Å; Y645-F694 AromaticContact CE1-CE1 3.6Å; Y645-F694 HydrophobicContact CE1-CE1 3.6Å; Y645-F694 HydrophobicContact CE2-CE1 4.4Å; Y645-F694 HydrophobicContact CG-CD1 4.34Å; Y645-F694 AromaticContact CG-CE1 3.82Å; Y645-F694 HydrophobicContact CG-CE1 3.82Å; A648-F694 HydrophobicContact CB-CD2 3.96Å; A648-F694 HydrophobicContact CB-CE2 3.35Å; A648-F694 HydrophobicContact CB-CZ 3.89Å; I690-F694 HydrophobicContact CG2-CD2 4.43Å; I690-F694 HydrophobicContact CG2-CE2 3.96Å; I690-F694 WeakPolarHBondContact O-CD2 3.36Å; W691-F694 PolarHBondContact O-N 2.86Å; F694-E697 PolarHBondContact O-N 2.75Å; F694-N698 WeakPolarHBondContact O-CB 3.44Å; F694-N698 PolarHBondContact O-N 3.5Å |
| 695 | R | 94 | Very high | 85.9 | Confident | 21 Ų | 21 | 23.5 Ų | 23.5 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.2 | -177 | 69.4 | -165.7 | 68.9 | -5.7 | 112.5 | D620 W691 E699 | D620-R695 VanDerWaalsContact CB-CD 3.44Å; D620-R695 WeakPolarHBondContact O-CD 3.41Å; D620-R695 VanDerWaalsContact OD1-CD 3.32Å; D620-R695 WeakPolarHBondContact OD1-CD 3.32Å; D620-R695 IonicContact OD1-CZ 3.18Å; D620-R695 IonicContact OD1-NE 3.02Å; D620-R695 PolarHBondContact OD1-NE 3.07Å; D620-R695 IonicContact OD1-NH2 3.95Å; W691-R695 HydrophobicContact CD2-CB 4.05Å; W691-R695 HydrophobicContact CE3-CB 3.99Å; W691-R695 HydrophobicContact CE3-CG 4.4Å; W691-R695 HydrophobicContact CH2-CB 4.11Å; W691-R695 HydrophobicContact CH2-CG 3.61Å; W691-R695 HydrophobicContact CZ2-CB 4.15Å; W691-R695 HydrophobicContact CZ2-CG 3.78Å; W691-R695 HydrophobicContact CZ3-CB 4.01Å; W691-R695 HydrophobicContact CZ3-CG 3.92Å; W691-R695 VanDerWaalsContact O-CB 3.25Å; W691-R695 WeakPolarHBondContact O-CB 3.42Å; W691-R695 PolarHBondContact O-N 3.12Å; R695-E699 IonicContact CZ-OE2 3.22Å; R695-E699 VanDerWaalsContact CZ-OE2 3.27Å; R695-E699 IonicContact NH1-OE2 3.14Å; R695-E699 PolarHBondContact NH1-OE2 2.91Å; R695-E699 IonicContact NH2-OE2 3.56Å; R695-E699 PolarHBondContact NH2-OE2 3.3Å; R695-E699 PolarHBondContact O-N 3.02Å |
| 696 | L | 91.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -79.3 | -27.2 | -179 | -104.5 | 78.2 | 0 | 0 | 0 | 112.9 | W349 V354 N356 I359 F360 F448 N692 H700 | W349-L696 HydrophobicContact CD2-CD2 3.94Å; W349-L696 HydrophobicContact CE3-CD2 4.01Å; W349-L696 HydrophobicContact CH2-CD1 4.5Å; W349-L696 HydrophobicContact CH2-CD2 3.86Å; W349-L696 HydrophobicContact CZ2-CB 4.19Å; W349-L696 HydrophobicContact CZ2-CD1 4.11Å; W349-L696 HydrophobicContact CZ2-CD2 3.73Å; W349-L696 HydrophobicContact CZ2-CG 4.21Å; W349-L696 HydrophobicContact CZ3-CD2 3.99Å; V354-L696 HydrophobicContact CG1-CB 4.27Å; N356-L696 HydrophobicContact CB-CD2 4.01Å; I359-L696 HydrophobicContact CD1-CD2 4.49Å; I359-L696 HydrophobicContact CG2-CD2 4.26Å; I359-L696 HydrophobicContact CG2-CG 4.2Å; F360-L696 HydrophobicContact CD2-CD2 4.43Å; F360-L696 HydrophobicContact CE2-CD2 3.59Å; F360-L696 HydrophobicContact CZ-CD1 3.97Å; F360-L696 HydrophobicContact CZ-CD2 3.76Å; F360-L696 HydrophobicContact CZ-CG 4.45Å; F448-L696 HydrophobicContact CE1-CD1 4.25Å; F448-L696 HydrophobicContact CZ-CD1 4.19Å; N692-L696 PolarHBondContact O-N 3.08Å; L696-H700 VanDerWaalsContact O-CB 3.27Å; L696-H700 WeakPolarHBondContact O-CB 3.44Å; L696-H700 PolarHBondContact O-N 3.49Å |
| 697 | E | 90.3 | Very high | 80.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -51 | 167.2 | -173.2 | -161.3 | 179 | 0 | 0 | 111.2 | R634 V638 Y639 Y645 F693 F694 E699 H700 L701 | R634-E697 IonicContact NH2-OE1 3.45Å; R634-E697 PolarHBondContact NH2-OE1 3.06Å; R634-E697 IonicContact NH2-OE2 2.82Å; R634-E697 PolarHBondContact NH2-OE2 2.91Å; V638-E697 HydrophobicContact CB-CG 3.8Å; V638-E697 HydrophobicContact CG2-CG 3.57Å; V638-E697 PolarHBondContact N-OE1 2.68Å; Y639-E697 HydrophobicContact CD2-CG 4.39Å; Y639-E697 VanDerWaalsContact CD2-OE2 3.3Å; Y639-E697 WeakPolarHBondContact CD2-OE2 3.48Å; Y639-E697 HydrophobicContact CE2-CB 3.79Å; Y639-E697 HydrophobicContact CE2-CG 3.94Å; Y639-E697 WeakPolarHBondContact CE2-OE2 3.45Å; Y645-E697 WeakPolarHBondContact CE1-OE2 3.35Å; Y645-E697 VanDerWaalsContact OH-CD 3.31Å; Y645-E697 PolarHBondContact OH-OE1 3.17Å; Y645-E697 PolarHBondContact OH-OE2 2.77Å; F693-E697 WeakPolarHBondContact O-CB 3.5Å; F693-E697 PolarHBondContact O-N 3.03Å; F693-E697 VanDerWaalsContact O-N 3.14Å; F694-E697 PolarHBondContact O-N 2.75Å; E697-E699 VanDerWaalsContact C-N 3.31Å; E697-E699 PolarHBondContact O-N 3.34Å; E697-H700 WeakPolarHBondContact O-CB 3.45Å; E697-H700 PolarHBondContact O-N 3.28Å; E697-H700 VanDerWaalsContact O-N 3.09Å; E697-L701 HydrophobicContact CG-CD1 4.23Å; E697-L701 WeakPolarHBondContact O-CG 3.43Å; E697-L701 PolarHBondContact O-N 2.69Å |
| 698 | N | 89.9 | Confident | 77.2 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.08 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -40.5 | 176.9 | -169.3 | 27.7 | 0 | 0 | 0 | 111.7 | M619 D620 R634 F694 N702 | M619-N698 PolarHBondContact O-ND2 3.18Å; D620-N698 WeakPolarHBondContact O-CB 3.1Å; D620-N698 PolarHBondContact O-ND2 3.46Å; R634-N698 PolarHBondContact NH1-OD1 3.24Å; F694-N698 WeakPolarHBondContact O-CB 3.44Å; F694-N698 PolarHBondContact O-N 3.5Å; N698-N702 WeakPolarHBondContact O-CB 3.48Å; N698-N702 PolarHBondContact O-N 3.4Å; N698-N702 PolarHBondContact O-ND2 3.21Å; N698-N702 PolarHBondContact OD1-ND2 3.44Å |
| 699 | E | 87.8 | Confident | 74.5 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 18% | 0.178 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | 174 | -160.7 | 65.6 | -150.6 | 0 | 0 | 112.4 | I359 F448 R695 E697 N703 | I359-E699 HydrophobicContact CG2-CB 4.42Å; I359-E699 HydrophobicContact CG2-CG 3.87Å; F448-E699 HydrophobicContact CD2-CG 4.07Å; F448-E699 HydrophobicContact CE1-CG 4.41Å; F448-E699 HydrophobicContact CE2-CB 4.39Å; F448-E699 HydrophobicContact CE2-CG 3.6Å; F448-E699 VanDerWaalsContact CE2-OE2 3.26Å; F448-E699 WeakPolarHBondContact CE2-OE2 3.25Å; F448-E699 HydrophobicContact CZ-CB 4.31Å; F448-E699 HydrophobicContact CZ-CG 3.79Å; R695-E699 IonicContact CZ-OE2 3.22Å; R695-E699 VanDerWaalsContact CZ-OE2 3.27Å; R695-E699 IonicContact NH1-OE2 3.14Å; R695-E699 PolarHBondContact NH1-OE2 2.91Å; R695-E699 IonicContact NH2-OE2 3.56Å; R695-E699 PolarHBondContact NH2-OE2 3.3Å; R695-E699 PolarHBondContact O-N 3.02Å; E697-E699 VanDerWaalsContact C-N 3.31Å; E697-E699 PolarHBondContact O-N 3.34Å; E699-N703 WeakPolarHBondContact O-CB 3.31Å; E699-N703 PolarHBondContact O-N 2.94Å; E699-N703 PolarHBondContact O-ND2 3.42Å; E699-N703 PolarHBondContact OE1-ND2 3.32Å |
| 700 | H | 81.9 | Confident | 71.7 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -52.1 | 177.6 | 178.7 | 63.4 | 0 | 0 | 0 | 111.2 | V354 I359 L696 E697 N702 N703 C704 | V354-H700 HydrophobicContact CG1-CB 4.11Å; I359-H700 HydrophobicContact CD1-CB 3.86Å; L696-H700 VanDerWaalsContact O-CB 3.27Å; L696-H700 WeakPolarHBondContact O-CB 3.44Å; L696-H700 PolarHBondContact O-N 3.49Å; E697-H700 WeakPolarHBondContact O-CB 3.45Å; E697-H700 PolarHBondContact O-N 3.28Å; E697-H700 VanDerWaalsContact O-N 3.09Å; H700-N702 PolarHBondContact O-N 2.98Å; H700-N703 PolarHBondContact O-N 2.86Å; H700-C704 PolarHBondContact O-N 3.49Å; H700-C704 PolarHBondContact O-SG 2.87Å |
| 701 | L | 77.7 | Confident | 68.9 | Low | 26 Ų | 26 | 44.7 Ų | 44.7 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 180 | -63.4 | 170.4 | 0 | 0 | 0 | 111.3 | R634 E636 V638 E697 N703 C704 G705 | R634-L701 VanDerWaalsContact NE-CD1 3.33Å; E636-L701 HydrophobicContact CB-CD1 4.25Å; E636-L701 HydrophobicContact CB-CD2 4.16Å; E636-L701 VanDerWaalsContact O-CD1 3.3Å; E636-L701 WeakPolarHBondContact O-CD1 3.31Å; V638-L701 HydrophobicContact CG2-CD1 4.24Å; V638-L701 HydrophobicContact CG2-CD2 3.82Å; V638-L701 HydrophobicContact CG2-CG 4.16Å; E697-L701 HydrophobicContact CG-CD1 4.23Å; E697-L701 WeakPolarHBondContact O-CG 3.43Å; E697-L701 PolarHBondContact O-N 2.69Å; L701-N703 VanDerWaalsContact C-N 3.32Å; L701-N703 PolarHBondContact O-N 2.77Å; L701-C704 PolarHBondContact O-N 2.72Å; L701-C704 VanDerWaalsContact O-N 3.14Å; L701-G705 PolarHBondContact O-N 2.96Å |
| 702 | N | 74.6 | Confident | 66 | Low | 86 Ų | 86 | 46.4 Ų | 46.4 | 46% | 0.46 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -34.5 | 176.1 | -83.1 | -81.8 | 0 | 0 | 0 | 113.5 | N698 H700 Q706 | N698-N702 WeakPolarHBondContact O-CB 3.48Å; N698-N702 PolarHBondContact O-N 3.4Å; N698-N702 PolarHBondContact O-ND2 3.21Å; N698-N702 PolarHBondContact OD1-ND2 3.44Å; H700-N702 PolarHBondContact O-N 2.98Å; N702-Q706 WeakPolarHBondContact O-CG 3.47Å; N702-Q706 PolarHBondContact O-N 3.43Å |
| 703 | N | 67.6 | Low | 63.2 | Low | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -79 | -27.2 | 175.4 | -77.8 | -73.2 | 0 | 0 | 0 | 112.8 | E699 H700 L701 F707 R708 A709 | E699-N703 WeakPolarHBondContact O-CB 3.31Å; E699-N703 PolarHBondContact O-N 2.94Å; E699-N703 PolarHBondContact O-ND2 3.42Å; E699-N703 PolarHBondContact OE1-ND2 3.32Å; H700-N703 PolarHBondContact O-N 2.86Å; L701-N703 VanDerWaalsContact C-N 3.32Å; L701-N703 PolarHBondContact O-N 2.77Å; N703-F707 PolarHBondContact O-N 3.16Å; N703-R708 HydrophobicContact CB-CB 4.35Å; N703-R708 PolarHBondContact O-N 3Å; N703-A709 PolarHBondContact O-N 3.25Å |
| 704 | C | 50.6 | Low | 60.4 | Low | 36 Ų | 36 | 48.6 Ų | 48.6 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.1 | -50.2 | 170.1 | -65.2 | 0 | 0 | 0 | 0 | 111 | H700 L701 Q706 F707 A709 | H700-C704 PolarHBondContact O-N 3.49Å; H700-C704 PolarHBondContact O-SG 2.87Å; L701-C704 PolarHBondContact O-N 2.72Å; L701-C704 VanDerWaalsContact O-N 3.14Å; C704-Q706 PolarHBondContact O-N 2.89Å; C704-F707 WeakPolarHBondContact O-CA 3.37Å; C704-F707 PolarHBondContact O-N 3.42Å; C704-A709 HydrophobicContact CB-CB 4.23Å; C704-A709 WeakPolarHBondContact SG-CB 3.29Å |
| 705 | G | 37.6 | Very low | 57.6 | Low | 60 Ų | 60 | 48.2 Ų | 48.2 | 62% | 0.619 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.1 | -16.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | L701 | L701-G705 PolarHBondContact O-N 2.96Å |
| 706 | Q | 37.5 | Very low | 54.6 | Low | 107 Ų | 107 | 50.3 Ų | 50.3 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 13.7 | 169.6 | -67.1 | -169.6 | 12.8 | 0 | 0 | 113.7 | N702 C704 R708 | N702-Q706 WeakPolarHBondContact O-CG 3.47Å; N702-Q706 PolarHBondContact O-N 3.43Å; C704-Q706 PolarHBondContact O-N 2.89Å; Q706-R708 HydrophobicContact CB-CG 4.2Å; Q706-R708 WeakPolarHBondContact O-CG 3.48Å; Q706-R708 PolarHBondContact O-N 3.44Å; Q706-R708 VanDerWaalsContact O-N 3.07Å |
| 707 | F | 32.5 | Very low | 51.8 | Low | 148 Ų | 148 | 54.1 Ų | 54.1 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 18.2 | -178.7 | -57 | -84.4 | 0 | 0 | 0 | 115.3 | N703 C704 A709 | N703-F707 PolarHBondContact O-N 3.16Å; C704-F707 WeakPolarHBondContact O-CA 3.37Å; C704-F707 PolarHBondContact O-N 3.42Å; F707-A709 VanDerWaalsContact C-N 3.33Å |
| 708 | R | 36.2 | Very low | 49 | Very low | 160 Ų | 160 | 56.7 Ų | 56.7 | 60% | 0.604 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.7 | -179.5 | -61.7 | -176.1 | -178.7 | 162.3 | 5.9 | 113.4 | N703 Q706 V710 | N703-R708 HydrophobicContact CB-CB 4.35Å; N703-R708 PolarHBondContact O-N 3Å; Q706-R708 HydrophobicContact CB-CG 4.2Å; Q706-R708 WeakPolarHBondContact O-CG 3.48Å; Q706-R708 PolarHBondContact O-N 3.44Å; Q706-R708 VanDerWaalsContact O-N 3.07Å; R708-V710 PolarHBondContact O-N 2.96Å |
| 709 | A | 40.4 | Very low | 46.5 | Very low | 11 Ų | 11 | 61.8 Ų | 61.8 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 8.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N703 C704 F707 R711 | N703-A709 PolarHBondContact O-N 3.25Å; C704-A709 HydrophobicContact CB-CB 4.23Å; C704-A709 WeakPolarHBondContact SG-CB 3.29Å; F707-A709 VanDerWaalsContact C-N 3.33Å; A709-R711 VanDerWaalsContact C-N 3.27Å; A709-R711 PolarHBondContact O-N 3.04Å |
| 710 | V | 38.1 | Very low | 44.1 | Very low | 70 Ų | 70 | 65.5 Ų | 65.5 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | trans | -79.9 | 69.9 | -176.1 | -168.4 | 0 | 0 | 0 | 0 | 111.4 | R708 | R708-V710 PolarHBondContact O-N 2.96Š| ||
| 711 | R | 37.7 | Very low | 41.8 | Very low | 74 Ų | 74 | 74.5 Ų | 74.5 | 28% | 0.279 | 38% | 0.38 | S | S | . | . | trans | -156.8 | 145.5 | 174.8 | -136.3 | 178.8 | 171.2 | 101.7 | 18.2 | 112.7 | E196 N355 L358 A709 | E196-R711 IonicContact OE1-CZ 3.97Å; E196-R711 IonicContact OE1-NE 3.21Å; E196-R711 IonicContact OE1-NH1 3.21Å; E196-R711 PolarHBondContact OE1-NH1 2.78Å; E196-R711 IonicContact OE1-NH2 2.77Å; E196-R711 PolarHBondContact OE1-NH2 3.23Å; E196-R711 IonicContact OE2-CZ 3.17Å; E196-R711 IonicContact OE2-NH1 3.14Å; E196-R711 PolarHBondContact OE2-NH1 3.03Å; E196-R711 IonicContact OE2-NH2 2.73Å; E196-R711 PolarHBondContact OE2-NH2 3.14Å; N355-R711 PolarHBondContact ND2-O 3.26Å; L358-R711 HydrophobicContact CD1-CB 3.96Å; L358-R711 HydrophobicContact CD2-CB 3.93Å; A709-R711 VanDerWaalsContact C-N 3.27Å; A709-R711 PolarHBondContact O-N 3.04Å | ||
| 712 | D | 34.1 | Very low | 39.8 | Very low | 36 Ų | 36 | 78.2 Ų | 78.2 | 19% | 0.193 | 41% | 0.406 | C | S | . | . | trans | 68.1 | 38.2 | 170.7 | -52.7 | -31.8 | 0 | 0 | 0 | 118.1 | F714 | D712-F714 HydrophobicContact CB-CE2 4.47Š| ||
| 713 | I | 39.3 | Very low | 37.8 | Very low | 14 Ų | 14 | 79.4 Ų | 79.4 | 7% | 0.072 | 42% | 0.419 | C | S | . | . | trans | -93.9 | 121 | 158.7 | -46 | 128.8 | 0 | 0 | 0 | 108.5 | T12 E14 L199 L203 I715 | T12-I713 HydrophobicContact CG2-CB 4.43Å; T12-I713 HydrophobicContact CG2-CD1 3.51Å; T12-I713 HydrophobicContact CG2-CG1 3.82Å; T12-I713 HydrophobicContact CG2-CG2 4Å; E14-I713 WeakPolarHBondContact OE2-CD1 3.43Å; E14-I713 WeakPolarHBondContact OE2-CG1 3.3Å; L199-I713 WeakPolarHBondContact CD1-O 3.07Å; L199-I713 WeakPolarHBondContact CD2-O 3.4Å; L203-I713 HydrophobicContact CD1-CB 3.69Å; L203-I713 HydrophobicContact CD1-CD1 3.77Å; L203-I713 HydrophobicContact CD1-CG1 4.36Å; L203-I713 HydrophobicContact CD1-CG2 4.35Å; L203-I713 HydrophobicContact CD2-CB 3.68Å; L203-I713 HydrophobicContact CD2-CG2 3.41Å; L203-I713 VanDerWaalsContact CD2-CG2 3.41Å; L203-I713 HydrophobicContact CG-CB 4.32Å; L203-I713 HydrophobicContact CG-CG2 4.49Å; I713-I715 HydrophobicContact CG2-CG1 4.37Å | ||
| 714 | F | 34.4 | Very low | 36.2 | Very low | 57 Ų | 57 | 88 Ų | 88 | 25% | 0.25 | 45% | 0.448 | C | S | . | . | trans | -93 | 142.2 | 170 | -49.4 | -103.9 | 0 | 0 | 0 | 107.3 | V279 L282 D712 | V279-F714 HydrophobicContact CG1-CB 4.13Å; V279-F714 HydrophobicContact CG1-CD1 3.98Å; V279-F714 HydrophobicContact CG1-CG 4.47Å; L282-F714 WeakPolarHBondContact CD1-O 3.31Å; L282-F714 HydrophobicContact CD2-CB 4.04Å; L282-F714 WeakPolarHBondContact CD2-O 3.47Å; L282-F714 HydrophobicContact CG-CB 3.98Å; L282-F714 WeakPolarHBondContact CG-O 3.41Å; D712-F714 HydrophobicContact CB-CE2 4.47Å | ||
| 715 | I | 36.3 | Very low | 35.4 | Very low | 2 Ų | 2 | 92 Ų | 92 | 1% | 0.01 | 47% | 0.472 | C | S | . | . | trans | -139.4 | 144.4 | 157.9 | -59.5 | 176.9 | 0 | 0 | 0 | 109.2 | L203 N206 L282 I713 | L203-I715 HydrophobicContact CD2-CB 4.16Å; L203-I715 HydrophobicContact CD2-CD1 3.56Å; L203-I715 HydrophobicContact CD2-CG1 3.52Å; N206-I715 HydrophobicContact CB-CB 4.26Å; N206-I715 HydrophobicContact CB-CD1 3.73Å; N206-I715 HydrophobicContact CB-CG2 3.75Å; N206-I715 WeakPolarHBondContact OD1-CG2 3.28Å; L282-I715 HydrophobicContact CD1-CB 4.43Å; L282-I715 HydrophobicContact CD1-CG1 4.32Å; L282-I715 HydrophobicContact CD1-CG2 4.44Å; I713-I715 HydrophobicContact CG2-CG1 4.37Å | ||
| 716 | T | 30.9 | Very low | 35.1 | Very low | 66 Ų | 66 | 94.6 Ų | 94.6 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 119.2 | 172.7 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | L718 | T716-L718 PolarHBondContact O-N 3.1Š|
| 717 | P | 31.5 | Very low | 34.8 | Very low | 80 Ų | 80 | 94.3 Ų | 94.3 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 127.8 | -177.2 | 24.9 | -34 | 0 | 0 | 0 | 111 | ||
| 718 | L | 32.9 | Very low | 34.8 | Very low | 54 Ų | 54 | 94.1 Ų | 94.1 | 28% | 0.283 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 132.1 | 170 | -67.4 | 170.6 | 0 | 0 | 0 | 109 | T716 K720 | T716-L718 PolarHBondContact O-N 3.1Å; L718-K720 PolarHBondContact O-N 3.42Å; L718-K720 VanDerWaalsContact O-N 3.12Å |
| 719 | P | 37.7 | Very low | 34.6 | Very low | 121 Ų | 121 | 92.3 Ų | 92.3 | 79% | 0.786 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 117.5 | 175.8 | 26.9 | -32.9 | 0 | 0 | 0 | 108.9 | ||
| 720 | K | 35.9 | Very low | 34.3 | Very low | 117 Ų | 117 | 96.7 Ų | 96.7 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 142.9 | 171.1 | -66.5 | -178.4 | -175.3 | 176.4 | 0 | 109.5 | Q205 D251 L718 | Q205-K720 VanDerWaalsContact NE2-CE 3.31Å; D251-K720 IonicContact OD1-NZ 2.71Å; D251-K720 PolarHBondContact OD1-NZ 3.16Å; D251-K720 IonicContact OD2-NZ 3.13Å; D251-K720 PolarHBondContact OD2-NZ 2.9Å; L718-K720 PolarHBondContact O-N 3.42Å; L718-K720 VanDerWaalsContact O-N 3.12Å |
| 721 | R | 33.7 | Very low | 33.9 | Very low | 206 Ų | 206 | 103.6 Ų | 103.6 | 78% | 0.777 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 130.8 | 163 | -161.3 | -180 | -158.8 | 168 | 5.5 | 106.7 | ||
| 722 | P | 36 | Very low | 33.5 | Very low | 104 Ų | 104 | 103.4 Ų | 103.4 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 145 | 170.2 | 25.4 | -33.6 | 0 | 0 | 0 | 108.2 | R724 | P722-R724 PolarHBondContact O-N 2.99Š|
| 723 | P | 33.9 | Very low | 33.5 | Very low | 111 Ų | 111 | 108.4 Ų | 108.4 | 72% | 0.721 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 137.1 | 173.5 | 25.1 | -33.6 | 0 | 0 | 0 | 108.3 | T725 | P723-T725 VanDerWaalsContact C-N 3.26Å; P723-T725 PolarHBondContact O-N 3.43Å |
| 724 | R | 33.1 | Very low | 33.1 | Very low | 213 Ų | 213 | 113 Ų | 113 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | trans | -61.9 | 98.9 | 163.5 | -83.4 | 179.2 | 165.9 | 168.1 | -7.6 | 106 | P722 S726 | P722-R724 PolarHBondContact O-N 2.99Å; R724-S726 PolarHBondContact O-N 3.19Å; R724-S726 VanDerWaalsContact O-N 3.09Å | ||
| 725 | T | 34.7 | Very low | 33.2 | Very low | 120 Ų | 120 | 117.1 Ų | 117.1 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | trans | -58.4 | 112.6 | 161 | 45.4 | 0 | 0 | 0 | 0 | 106.1 | P723 S727 | P723-T725 VanDerWaalsContact C-N 3.26Å; P723-T725 PolarHBondContact O-N 3.43Å; T725-S727 VanDerWaalsContact C-N 3.32Å; T725-S727 PolarHBondContact O-N 2.91Å | ||
| 726 | S | 31.4 | Very low | 33 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | -60.9 | 96.6 | 174 | -53.5 | 0 | 0 | 0 | 0 | 108.3 | R724 L728 | R724-S726 PolarHBondContact O-N 3.19Å; R724-S726 VanDerWaalsContact O-N 3.09Å; S726-L728 PolarHBondContact O-N 3.14Å | ||
| 727 | S | 31.1 | Very low | 33.2 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | -75.7 | 53.8 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | T725 T729 | T725-S727 VanDerWaalsContact C-N 3.32Å; T725-S727 PolarHBondContact O-N 2.91Å; S727-T729 PolarHBondContact O-N 3.17Å | ||
| 728 | L | 31.1 | Very low | 33.3 | Very low | 144 Ų | 144 | 127 Ų | 127 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | -81.4 | 51.3 | 170.9 | -161.9 | 73.4 | 0 | 0 | 0 | 109.3 | S726 T730 | S726-L728 PolarHBondContact O-N 3.14Å; L728-T730 PolarHBondContact O-N 2.88Å | ||
| 729 | T | 33.4 | Very low | 33.4 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -76.8 | 67.8 | 164.4 | 46.6 | 0 | 0 | 0 | 0 | 108.3 | S727 F731 | S727-T729 PolarHBondContact O-N 3.17Å; T729-F731 PolarHBondContact O-N 2.8Å | ||
| 730 | T | 32.5 | Very low | 33.2 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 63% | 0.632 | 73% | 0.734 | S | S | * | * | trans | -73.3 | 64.6 | 172.2 | -51 | 0 | 0 | 0 | 0 | 109.6 | L728 | L728-T730 PolarHBondContact O-N 2.88Š| ||
| 731 | F | 30 | Very low | 33.2 | Very low | 214 Ų | 214 | 132.9 Ų | 132.9 | 94% | 0.939 | 74% | 0.74 | S | S | * | * | trans | -107 | 74.5 | 168.1 | -102 | -81.2 | 0 | 0 | 0 | 108.2 | T729 | T729-F731 PolarHBondContact O-N 2.8Š| ||
| 732 | G | 30.6 | Very low | 33.3 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | trans | -171.3 | 42.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 733 | N | 32.8 | Very low | 33.2 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | -118.3 | 99.9 | 169.9 | -157.9 | 9.8 | 0 | 0 | 0 | 109.7 | N735 | N733-N735 PolarHBondContact O-N 3.3Š| ||
| 734 | S | 31.2 | Very low | 33.2 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -70.2 | 110.5 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 735 | N | 35.8 | Very low | 33.4 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -144 | 125.7 | 158.8 | -100 | -44.4 | 0 | 0 | 0 | 111.8 | N733 | N733-N735 PolarHBondContact O-N 3.3Š| ||
| 736 | S | 33.9 | Very low | 33.2 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | trans | -70.2 | 159 | -178.1 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 737 | H | 34.4 | Very low | 33.5 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 82% | 0.819 | 75% | 0.747 | S | S | * | * | trans | 71.8 | 142.6 | 170 | -54.4 | -76.7 | 0 | 0 | 0 | 116.1 | ||||
| 738 | S | 34.3 | Very low | 33.6 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -175.8 | 157.2 | -15.5 | 51.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 739 | V | 35 | Very low | 33.9 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | trans | 68.8 | 136.8 | 154.4 | 164.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 740 | F | 33.5 | Very low | 33.9 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | cis | -152.8 | 163.6 | 3 | -137.1 | -150.9 | 0 | 0 | 0 | 111.7 | ||||
| 741 | N | 35 | Very low | 34 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | 9.2 | 154.7 | 142.2 | -65.3 | -24.3 | 0 | 0 | 0 | 122.8 | ||||
| 742 | S | 35.7 | Very low | 34.1 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | cis | 179.5 | 150.4 | -17.4 | 59 | 0 | 0 | 0 | 0 | 113 | ||||
| 743 | K | 35.1 | Very low | 34.4 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 66.2 | 138.8 | 141.5 | -82.3 | 178.3 | 176.7 | 176.7 | 0 | 123.2 | ||||
| 744 | L | 33.7 | Very low | 34.7 | Very low | 160 Ų | 160 | 141 Ų | 141 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | 67.5 | 160.7 | 157 | -84.4 | 78.4 | 0 | 0 | 0 | 119.8 | ||||
| 745 | A | 35.9 | Very low | 34.8 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | cis | -173.7 | 105.8 | -45.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 746 | R | 31.9 | Very low | 34.6 | Very low | 249 Ų | 249 | 142.4 Ų | 142.4 | 94% | 0.94 | 76% | 0.758 | S | S | * | * | trans | 59.5 | -178.6 | 163.5 | -66.4 | -170.1 | 175.7 | -162.8 | -0.3 | 115.6 | ||||
| 747 | P | 37.3 | Very low | 34.9 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -125.9 | -169.6 | -9.3 | 34.4 | -12.9 | 0 | 0 | 0 | 115.8 | ||||
| 748 | N | 33.8 | Very low | 34.8 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -53.3 | 162.4 | 178.6 | -46.5 | -33.1 | 0 | 0 | 0 | 117.1 | ||||
| 749 | I | 36.3 | Very low | 34.6 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | 178.3 | 124 | 113.2 | -92.6 | 162.5 | 0 | 0 | 0 | 115.7 | |||||
| 750 | H | 33.1 | Very low | 34.6 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 20.8 | 137.5 | 148.2 | -93.3 | -77.1 | 0 | 0 | 0 | 127.3 | ||||
| 751 | S | 34.2 | Very low | 34.7 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 84.3 | 161.3 | 133.7 | 88.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 752 | K | 33.4 | Very low | 35.2 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | cis | -164.5 | 158.8 | -1.8 | -135.1 | 165.1 | 178 | -160.1 | 0 | 113 | ||||
| 753 | Y | 36.5 | Very low | 35.3 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 73.5 | 162.2 | 153.1 | -65.8 | -46 | 0 | 0 | 0 | 123.1 | ||||
| 754 | P | 39.1 | Very low | 35.4 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -127.7 | 170.3 | -167.8 | 43.4 | -28.2 | 0 | 0 | 0 | 116.3 | ||||
| 755 | G | 33.1 | Very low | 35.5 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | 172.3 | 138.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 756 | K | 31.6 | Very low | 35.2 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -62.7 | 179.4 | 165.2 | -71.1 | 179.5 | 173.4 | -177.5 | 0 | 113.2 | ||||
| 757 | P | 39.8 | Very low | 35.3 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | cis | -136.1 | -176.1 | -47 | 39.7 | -23.2 | 0 | 0 | 0 | 112 | ||||
| 758 | G | 33.7 | Very low | 35.2 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 151.9 | 157.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 759 | G | 30.2 | Very low | 35.2 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -165.2 | 176 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 760 | Y | 34.4 | Very low | 35.1 | Very low | 246 Ų | 246 | 138.1 Ų | 138.1 | 97% | 0.965 | 77% | 0.772 | S | S | * | * | trans | -148.4 | 163.4 | 169.4 | -118.7 | -91.6 | 0 | 0 | 0 | 110.6 | ||||
| 761 | S | 35.2 | Very low | 35 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -136.3 | -165.8 | -173.9 | -147.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 762 | P | 45.2 | Very low | 35 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -141.2 | -161.1 | -1.7 | 32.8 | -6.7 | 0 | 0 | 0 | 115.2 | ||||
| 763 | N | 37.2 | Very low | 34.9 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 110.7 | 140.4 | 156.5 | -59.6 | -14.9 | 0 | 0 | 0 | 115.9 | ||||
| 764 | D | 37.9 | Very low | 34.7 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 54% | 0.54 | 78% | 0.78 | S | S | . | * | cis | -161.9 | 136.1 | -31.9 | -150.8 | -10.8 | 0 | 0 | 0 | 103.6 | R766 | D764-R766 VanDerWaalsContact CG-NH2 3.31Å; D764-R766 IonicContact OD1-CZ 2.73Å; D764-R766 IonicContact OD1-NE 3.01Å; D764-R766 PolarHBondContact OD1-NE 3.28Å; D764-R766 IonicContact OD1-NH2 3.33Å; D764-R766 PolarHBondContact OD1-NH2 3.38Å; D764-R766 IonicContact OD2-CZ 3.11Å; D764-R766 IonicContact OD2-NH2 2.7Å; D764-R766 PolarHBondContact OD2-NH2 2.94Å | ||
| 765 | S | 36.2 | Very low | 34.3 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | -179.6 | 127.9 | 80.4 | 36.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 766 | R | 30.4 | Very low | 34.3 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | trans | -15.3 | 153 | 143.2 | -72.4 | 162.1 | -91.6 | -157.9 | -2 | 117.3 | D764 | D764-R766 VanDerWaalsContact CG-NH2 3.31Å; D764-R766 IonicContact OD1-CZ 2.73Å; D764-R766 IonicContact OD1-NE 3.01Å; D764-R766 PolarHBondContact OD1-NE 3.28Å; D764-R766 IonicContact OD1-NH2 3.33Å; D764-R766 PolarHBondContact OD1-NH2 3.38Å; D764-R766 IonicContact OD2-CZ 3.11Å; D764-R766 IonicContact OD2-NH2 2.7Å; D764-R766 PolarHBondContact OD2-NH2 2.94Å | ||
| 767 | R | 33.7 | Very low | 34.1 | Very low | 236 Ų | 236 | 141.9 Ų | 141.9 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | cis | -155.5 | 175.6 | 45.4 | -74.4 | 177.9 | 178.1 | 165.9 | -2 | 111.1 | ||||
| 768 | S | 33.7 | Very low | 33.5 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | cis | -173.8 | 140.1 | -40.4 | 57.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 769 | V | 33.5 | Very low | 33.3 | Very low | 130 Ų | 130 | 148 Ų | 148 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | -76.5 | 170.9 | -176.9 | -141.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 770 | P | 35.7 | Very low | 33.1 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | -136.7 | 159.5 | 103.4 | 39.1 | -29.2 | 0 | 0 | 0 | 115.7 | |||||
| 771 | D | 30 | Very low | 33 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | trans | -99.9 | 151.6 | -179.5 | 178.8 | 18.6 | 0 | 0 | 0 | 111 | ||||
| 772 | F | 34 | Very low | 32.8 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -154.1 | 125.4 | 165.7 | -122.8 | -77.5 | 0 | 0 | 0 | 113.6 | ||||
| 773 | T | 31.5 | Very low | 32 | Very low | 105 Ų | 105 | 149.9 Ų | 149.9 | 64% | 0.644 | 77% | 0.765 | S | S | * | * | trans | -103 | 137.9 | -175 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 774 | R | 33.4 | Very low | 31.6 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | -172.5 | 144.1 | 132.3 | -111.4 | 168.4 | 171.9 | 157.6 | -0.2 | 117.2 | ||||
| 775 | D | 29.7 | Very low | 31.1 | Very low | 135 Ų | 135 | 150.2 Ų | 150.2 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -28.4 | 139.7 | 168.4 | -46.3 | -70.8 | 0 | 0 | 0 | 117 | ||||
| 776 | K | 32.7 | Very low | 30.9 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | -169.7 | 139.8 | 82.1 | -92.7 | 164 | -176.1 | 171 | 0 | 116 | |||||
| 777 | S | 28.8 | Very low | 30.8 | Very low | 101 Ų | 101 | 149.4 Ų | 149.4 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 48.8 | 105.1 | 146.3 | 62.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 778 | F | 27 | Very low | 30.5 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 82% | 0.816 | 74% | 0.739 | S | S | * | * | 36.8 | 112.1 | 125 | -83.5 | -102.5 | 0 | 0 | 0 | 120.3 | |||||
| 779 | N | 28.3 | Very low | 30.4 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | 177.8 | 137.2 | 94.9 | -93.2 | -52.5 | 0 | 0 | 0 | 115.4 | |||||
| 780 | S | 26.3 | Very low | 30.1 | Very low | 85 Ų | 85 | 138.9 Ų | 138.9 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | trans | 45.6 | 108.1 | 149.5 | -174.1 | 0 | 0 | 0 | 0 | 120.8 | H782 | S780-H782 PolarHBondContact O-N 2.83Å; S780-H782 VanDerWaalsContact O-N 3.12Å | ||
| 781 | P | 32.8 | Very low | 29.8 | Very low | 135 Ų | 135 | 140 Ų | 140 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | trans | -70.1 | 109.1 | 163 | 30.1 | -32.6 | 0 | 0 | 0 | 110.8 | ||||
| 782 | H | 30.9 | Very low | 29.8 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -78.5 | 165.3 | 163.9 | -117.2 | -131.4 | 0 | 0 | 0 | 110.5 | S780 L784 | S780-H782 PolarHBondContact O-N 2.83Å; S780-H782 VanDerWaalsContact O-N 3.12Å; H782-L784 PolarHBondContact O-N 3.22Å | ||
| 783 | K | 28.5 | Very low | 29.6 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | -51.4 | 131.5 | 179.8 | -59.4 | 154.4 | -176.2 | 148.8 | 0 | 111.4 | ||||
| 784 | L | 28.9 | Very low | 29.5 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 89% | 0.885 | 75% | 0.747 | S | S | * | * | trans | -97.8 | 93 | 159.8 | -162.5 | 71.7 | 0 | 0 | 0 | 109 | H782 | H782-L784 PolarHBondContact O-N 3.22Š| ||
| 785 | S | 27.8 | Very low | 29.3 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | trans | -122.1 | 51.9 | 177 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 786 | H | 30.9 | Very low | 29.4 | Very low | 83 Ų | 83 | 149 Ų | 149 | 38% | 0.384 | 75% | 0.751 | S | S | . | * | trans | -153.5 | 111.1 | 170.2 | -105.5 | -79.8 | 0 | 0 | 0 | 109.8 | D562 | D562-H786 IonicContact OD2-CD2 2.74Š| ||
| 787 | F | 29.7 | Very low | 29.4 | Very low | 206 Ų | 206 | 145.5 Ų | 145.5 | 90% | 0.904 | 74% | 0.741 | S | S | * | * | trans | -130 | 128.6 | 148.6 | -142 | -88.9 | 0 | 0 | 0 | 107.3 | ||||
| 788 | Q | 27.5 | Very low | 29.6 | Very low | 88 Ų | 88 | 150 Ų | 150 | 41% | 0.411 | 74% | 0.744 | S | S | . | * | trans | -89.6 | 117.3 | 179.3 | -81.4 | 175.8 | -146.7 | 0 | 0 | 109.2 | S790 | Q788-S790 VanDerWaalsContact C-N 3.32Å; Q788-S790 PolarHBondContact NE2-OG 3.3Å | ||
| 789 | A | 29.8 | Very low | 29.6 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 88% | 0.884 | 74% | 0.742 | S | S | * | * | trans | -101.9 | 40.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 790 | S | 28.8 | Very low | 29.9 | Very low | 53 Ų | 53 | 148.3 Ų | 148.3 | 37% | 0.371 | 74% | 0.741 | S | S | . | * | trans | -82.5 | 136.9 | 155.3 | 56.6 | 0 | 0 | 0 | 0 | 107.2 | Q788 | Q788-S790 VanDerWaalsContact C-N 3.32Å; Q788-S790 PolarHBondContact NE2-OG 3.3Å | ||
| 791 | D | 28.9 | Very low | 30.4 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 71.2 | 68.7 | -179.4 | -48.5 | -52.2 | 0 | 0 | 0 | 115.8 | ||
| 792 | L | 29 | Very low | 30.2 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | -162.2 | 39.2 | 153.5 | -112.1 | 168.4 | 0 | 0 | 0 | 114.3 | ||||
| 793 | R | 29.8 | Very low | 30.6 | Very low | 256 Ų | 256 | 150.9 Ų | 150.9 | 97% | 0.966 | 75% | 0.749 | S | S | * | * | trans | -130.8 | 68.4 | 173.5 | -130.6 | -175.9 | -168 | -159.2 | 3.7 | 111.4 | ||||
| 794 | S | 29 | Very low | 31.1 | Very low | 110 Ų | 110 | 151 Ų | 151 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -151.9 | 146.3 | 172.9 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 795 | R | 29.9 | Very low | 31.7 | Very low | 227 Ų | 227 | 149.9 Ų | 149.9 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | 64.2 | 94.7 | -179.5 | -54.3 | 178.5 | 176.3 | -167.9 | -3 | 116.4 | ||||
| 796 | R | 32.7 | Very low | 32.3 | Very low | 226 Ų | 226 | 153.4 Ų | 153.4 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | -173.7 | 126.4 | 102.8 | -101 | -175.4 | -100.6 | -149.3 | -4.8 | 114 | |||||
| 797 | I | 32.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 155.5 Ų | 155.5 | 62% | 0.621 | 76% | 0.764 | S | S | * | * | trans | 56.3 | 104.9 | 138.4 | -46.7 | 158.5 | 0 | 0 | 0 | 117 | ||||
| 798 | Y | 33 | Very low | 33.3 | Very low | 196 Ų | 196 | 153.8 Ų | 153.8 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | -159.1 | 125.1 | 88.1 | -102.2 | -71.9 | 0 | 0 | 0 | 111.1 | |||||
| 799 | D | 27.7 | Very low | 33.9 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -83.1 | 144.6 | 154.2 | -56.7 | -75.7 | 0 | 0 | 0 | 108.1 | ||||
| 800 | I | 33.8 | Very low | 34.6 | Very low | 151 Ų | 151 | 153.7 Ų | 153.7 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | trans | 177.1 | 120.5 | 136.2 | -93.5 | 155.3 | 0 | 0 | 0 | 111.2 | ||||
| 801 | T | 35.8 | Very low | 35.4 | Very low | 116 Ų | 116 | 157.7 Ų | 157.7 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | trans | 48 | 108.5 | 159.8 | 56.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 802 | E | 30 | Very low | 36.1 | Very low | 197 Ų | 197 | 153.5 Ų | 153.5 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | trans | -67.2 | 127.9 | 148.8 | -59.6 | 157.9 | 115.5 | 0 | 0 | 110.1 | ||||
| 803 | T | 38.5 | Very low | 36.8 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -164.4 | -29.6 | 156.1 | -11.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 804 | E | 39.3 | Very low | 37.4 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -93.7 | -9.6 | -167.2 | -61.6 | -178.7 | 141.8 | 0 | 0 | 115.1 | E806 | E804-E806 PolarHBondContact O-N 3.22Š|
| 805 | H | 41.6 | Very low | 38.1 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 67% | 0.667 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -80.8 | -11.7 | -167.6 | -156.8 | -52.8 | 0 | 0 | 0 | 115 | ||
| 806 | E | 41.1 | Very low | 38.6 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -81.2 | -38.9 | -177.8 | -65.4 | -157.1 | 121.9 | 0 | 0 | 113.6 | E804 Y808 L809 T810 | E804-E806 PolarHBondContact O-N 3.22Å; E806-Y808 PolarHBondContact O-N 3.47Å; E806-L809 PolarHBondContact O-N 2.95Å; E806-T810 PolarHBondContact O-OG1 3.1Å |
| 807 | N | 43 | Very low | 38.9 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -62.5 | -45 | -177.6 | -73.7 | -12.1 | 0 | 0 | 0 | 112.1 | L809 T810 E811 | N807-L809 VanDerWaalsContact C-N 3.25Å; N807-L809 PolarHBondContact O-N 3.29Å; N807-T810 WeakPolarHBondContact O-CA 3.25Å; N807-T810 WeakPolarHBondContact O-CB 3.46Å; N807-T810 PolarHBondContact O-N 2.94Å; N807-T810 PolarHBondContact O-OG1 3.48Å; N807-E811 PolarHBondContact O-N 2.98Å |
| 808 | Y | 37.1 | Very low | 39.1 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -60.8 | -32.1 | -178.6 | -160.3 | -100.1 | 0 | 0 | 0 | 113 | E806 T810 V812 | E806-Y808 PolarHBondContact O-N 3.47Å; Y808-T810 PolarHBondContact O-N 3.46Å; Y808-V812 HydrophobicContact CD1-CG2 4.07Å; Y808-V812 HydrophobicContact CE1-CG2 3.93Å; Y808-V812 WeakPolarHBondContact O-CB 3.36Å; Y808-V812 VanDerWaalsContact O-CG2 3.24Å; Y808-V812 WeakPolarHBondContact O-CG2 3.25Å; Y808-V812 PolarHBondContact O-N 3.46Å |
| 809 | L | 41.9 | Very low | 39.2 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 52% | 0.524 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -74.1 | -8.9 | 175.3 | -83.7 | 166.9 | 0 | 0 | 0 | 114 | E806 N807 | E806-L809 PolarHBondContact O-N 2.95Å; N807-L809 VanDerWaalsContact C-N 3.25Å; N807-L809 PolarHBondContact O-N 3.29Å |
| 810 | T | 44.4 | Very low | 39.7 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 56% | 0.564 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -93.9 | -46 | 177.8 | -41 | 0 | 0 | 0 | 0 | 110.7 | E806 N807 Y808 V812 K813 A814 | E806-T810 PolarHBondContact O-OG1 3.1Å; N807-T810 WeakPolarHBondContact O-CA 3.25Å; N807-T810 WeakPolarHBondContact O-CB 3.46Å; N807-T810 PolarHBondContact O-N 2.94Å; N807-T810 PolarHBondContact O-OG1 3.48Å; Y808-T810 PolarHBondContact O-N 3.46Å; T810-V812 PolarHBondContact O-N 3.32Å; T810-K813 WeakPolarHBondContact O-CB 3.3Å; T810-K813 PolarHBondContact O-N 2.91Å; T810-K813 VanDerWaalsContact O-N 3.11Å; T810-A814 PolarHBondContact O-N 3.05Å; T810-A814 VanDerWaalsContact O-N 3.1Å |
| 811 | E | 44.2 | Very low | 40 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 65% | 0.645 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -65.6 | -37.4 | 175.1 | -67.7 | -176.6 | 119.1 | 0 | 0 | 112.6 | N807 K813 A814 S815 | N807-E811 PolarHBondContact O-N 2.98Å; E811-K813 PolarHBondContact O-N 2.9Å; E811-A814 PolarHBondContact O-N 3.22Å; E811-S815 PolarHBondContact O-N 3.48Å; E811-S815 PolarHBondContact O-OG 2.92Å |
| 812 | V | 43.9 | Very low | 40 | Very low | 64 Ų | 64 | 138 Ų | 138 | 39% | 0.388 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -66.7 | -20 | 174 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | Y808 T810 M816 | Y808-V812 HydrophobicContact CD1-CG2 4.07Å; Y808-V812 HydrophobicContact CE1-CG2 3.93Å; Y808-V812 WeakPolarHBondContact O-CB 3.36Å; Y808-V812 VanDerWaalsContact O-CG2 3.24Å; Y808-V812 WeakPolarHBondContact O-CG2 3.25Å; Y808-V812 PolarHBondContact O-N 3.46Å; T810-V812 PolarHBondContact O-N 3.32Å; V812-M816 WeakPolarHBondContact O-CG 3.44Å |
| 813 | K | 43.8 | Very low | 40.9 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -83.3 | -41.1 | 170.7 | -81.9 | 179.3 | 175.1 | 176.6 | 0 | 112.7 | T810 E811 S815 M816 | T810-K813 WeakPolarHBondContact O-CB 3.3Å; T810-K813 PolarHBondContact O-N 2.91Å; T810-K813 VanDerWaalsContact O-N 3.11Å; E811-K813 PolarHBondContact O-N 2.9Å; K813-S815 PolarHBondContact O-N 3.34Å; K813-M816 PolarHBondContact O-N 3.4Å |
| 814 | A | 43.5 | Very low | 41.1 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 69% | 0.686 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -66.2 | -20.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | T810 E811 | T810-A814 PolarHBondContact O-N 3.05Å; T810-A814 VanDerWaalsContact O-N 3.1Å; E811-A814 PolarHBondContact O-N 3.22Å |
| 815 | S | 41.8 | Very low | 41.6 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 62% | 0.622 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 8.4 | -178.2 | 47.5 | 0 | 0 | 0 | 0 | 114.8 | E811 K813 | E811-S815 PolarHBondContact O-N 3.48Å; E811-S815 PolarHBondContact O-OG 2.92Å; K813-S815 PolarHBondContact O-N 3.34Å |
| 816 | M | 41.9 | Very low | 41.8 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -107.1 | -1.9 | -176.1 | -75.9 | -172.4 | 69 | 0 | 0 | 115.8 | V812 K813 | V812-M816 WeakPolarHBondContact O-CG 3.44Å; K813-M816 PolarHBondContact O-N 3.4Å |
| 817 | E | 39.2 | Very low | 42.1 | Very low | 183 Ų | 183 | 123.9 Ų | 123.9 | 86% | 0.855 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -91.8 | -13.8 | -174.5 | -61.9 | -164.3 | 130.2 | 0 | 0 | 114.8 | ||
| 818 | D | 36.5 | Very low | 42.4 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 77% | 0.765 | 62% | 0.622 | S | S | * | * | trans | -111.6 | 117.4 | 175.2 | -93.3 | -46.9 | 0 | 0 | 0 | 112.4 | ||||
| 819 | N | 34.8 | Very low | 43 | Very low | 125 Ų | 125 | 118.7 Ų | 118.7 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | trans | 150.2 | 88.4 | 140.7 | -87.8 | -80.6 | 0 | 0 | 0 | 113.6 | L821 | N819-L821 PolarHBondContact O-N 2.87Š| ||
| 820 | D | 38.6 | Very low | 43.5 | Very low | 162 Ų | 162 | 116.3 Ų | 116.3 | 87% | 0.866 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -65.7 | -5 | 174.9 | -132.3 | -26.5 | 0 | 0 | 0 | 114.2 | F822 | D820-F822 PolarHBondContact O-N 2.73Š|
| 821 | L | 38.5 | Very low | 43.8 | Very low | 152 Ų | 152 | 113.7 Ų | 113.7 | 80% | 0.796 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -75.5 | -22.4 | -174.1 | -134.5 | 73 | 0 | 0 | 0 | 114.4 | N819 S823 | N819-L821 PolarHBondContact O-N 2.87Å; L821-S823 VanDerWaalsContact C-N 3.28Å; L821-S823 PolarHBondContact O-N 3.2Å |
| 822 | F | 37.1 | Very low | 44.1 | Very low | 151 Ų | 151 | 112 Ų | 112 | 66% | 0.662 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -73.2 | -15.1 | -171.6 | -112.5 | -90 | 0 | 0 | 0 | 114.8 | D820 Q824 E825 | D820-F822 PolarHBondContact O-N 2.73Å; F822-Q824 PolarHBondContact O-N 3.02Å; F822-E825 PolarHBondContact O-N 2.88Å |
| 823 | S | 47.7 | Very low | 45 | Very low | 49 Ų | 49 | 112.8 Ų | 112.8 | 34% | 0.343 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.3 | -14 | -169.2 | -161.9 | 0 | 0 | 0 | 0 | 115.8 | L821 K827 | L821-S823 VanDerWaalsContact C-N 3.28Å; L821-S823 PolarHBondContact O-N 3.2Å; S823-K827 VanDerWaalsContact O-CD 3.29Å; S823-K827 WeakPolarHBondContact O-CD 3.36Å; S823-K827 VanDerWaalsContact O-CG 3.31Å; S823-K827 WeakPolarHBondContact O-CG 3.37Å; S823-K827 PolarHBondContact O-NZ 2.94Å; S823-K827 PolarHBondContact OG-NZ 2.98Å |
| 824 | Q | 42.6 | Very low | 45.7 | Very low | 157 Ų | 157 | 112 Ų | 112 | 73% | 0.734 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -87.7 | -36.3 | 177.4 | -68.3 | -146.9 | 31.7 | 0 | 0 | 114.2 | F822 Q828 | F822-Q824 PolarHBondContact O-N 3.02Å; Q824-Q828 WeakPolarHBondContact O-CG 2.97Å; Q824-Q828 PolarHBondContact O-N 3.13Å |
| 825 | E | 50 | Low | 46.4 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 176.5 | -87.6 | -104.1 | 148.1 | 0 | 0 | 110.9 | F822 K827 Q828 R829 | F822-E825 PolarHBondContact O-N 2.88Å; E825-K827 VanDerWaalsContact C-N 3.33Å; E825-K827 PolarHBondContact O-N 3.09Å; E825-Q828 WeakPolarHBondContact O-CB 3.34Å; E825-Q828 PolarHBondContact O-N 3.32Å; E825-R829 WeakPolarHBondContact O-CG 3.31Å; E825-R829 PolarHBondContact O-N 3.12Å; E825-R829 IonicContact OE2-CZ 3.71Å; E825-R829 IonicContact OE2-NE 3.74Å; E825-R829 PolarHBondContact OE2-NE 3.02Å; E825-R829 IonicContact OE2-NH2 3.94Å; E825-R829 PolarHBondContact OE2-NH2 3.14Å |
| 826 | E | 47.2 | Very low | 47.4 | Very low | 107 Ų | 107 | 112.3 Ų | 112.3 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | -178.3 | -174.2 | 168.7 | -127.7 | 0 | 0 | 112.3 | Q828 R829 N830 | E826-Q828 VanDerWaalsContact C-N 3.29Å; E826-Q828 PolarHBondContact O-N 3.27Å; E826-R829 PolarHBondContact O-N 3.41Å; E826-N830 PolarHBondContact O-N 2.95Å |
| 827 | K | 46.8 | Very low | 48.4 | Very low | 98 Ų | 98 | 109.5 Ų | 109.5 | 43% | 0.426 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -54.2 | -46.2 | 172 | -72.3 | 171.5 | -177 | 108.9 | 0 | 110.6 | S823 E825 R829 N830 Y833 | S823-K827 VanDerWaalsContact O-CD 3.29Å; S823-K827 WeakPolarHBondContact O-CD 3.36Å; S823-K827 VanDerWaalsContact O-CG 3.31Å; S823-K827 WeakPolarHBondContact O-CG 3.37Å; S823-K827 PolarHBondContact O-NZ 2.94Å; S823-K827 PolarHBondContact OG-NZ 2.98Å; E825-K827 VanDerWaalsContact C-N 3.33Å; E825-K827 PolarHBondContact O-N 3.09Å; K827-R829 VanDerWaalsContact C-N 3.26Å; K827-R829 PolarHBondContact O-N 3.2Å; K827-N830 PolarHBondContact O-N 3.36Å; K827-Y833 VanDerWaalsContact C-CD1 3.43Å; K827-Y833 HydrophobicContact CB-CD1 4.46Å; K827-Y833 HydrophobicContact CB-CD2 4.2Å; K827-Y833 HydrophobicContact CB-CE1 4.37Å; K827-Y833 HydrophobicContact CB-CE2 4.14Å; K827-Y833 HydrophobicContact CB-CG 4.35Å; K827-Y833 WeakPolarHBondContact O-CB 3.13Å; K827-Y833 WeakPolarHBondContact O-CD1 3.36Å |
| 828 | Q | 48.3 | Very low | 49.4 | Very low | 94 Ų | 94 | 107.9 Ų | 107.9 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -25.1 | 178.7 | -54.5 | -145 | 61.6 | 0 | 0 | 114.1 | Q824 E825 E826 Y833 R834 | Q824-Q828 WeakPolarHBondContact O-CG 2.97Å; Q824-Q828 PolarHBondContact O-N 3.13Å; E825-Q828 WeakPolarHBondContact O-CB 3.34Å; E825-Q828 PolarHBondContact O-N 3.32Å; E826-Q828 VanDerWaalsContact C-N 3.29Å; E826-Q828 PolarHBondContact O-N 3.27Å; Q828-Y833 HydrophobicContact CG-CE1 4.15Å; Q828-R834 VanDerWaalsContact O-CG 3.24Å; Q828-R834 WeakPolarHBondContact O-CG 3.32Å; Q828-R834 PolarHBondContact O-NE 2.83Å |
| 829 | R | 50.3 | Low | 50.1 | Low | 93 Ų | 93 | 103 Ų | 103 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -77.3 | -31.4 | -179.1 | -66.7 | 172.1 | -172.4 | -138.3 | 3.6 | 112.2 | Y641 E825 E826 K827 R834 | Y641-R829 WeakPolarHBondContact OH-CB 3.48Å; E825-R829 WeakPolarHBondContact O-CG 3.31Å; E825-R829 PolarHBondContact O-N 3.12Å; E825-R829 IonicContact OE2-CZ 3.71Å; E825-R829 IonicContact OE2-NE 3.74Å; E825-R829 PolarHBondContact OE2-NE 3.02Å; E825-R829 IonicContact OE2-NH2 3.94Å; E825-R829 PolarHBondContact OE2-NH2 3.14Å; E826-R829 PolarHBondContact O-N 3.41Å; K827-R829 VanDerWaalsContact C-N 3.26Å; K827-R829 PolarHBondContact O-N 3.2Å; R829-R834 PolarHBondContact O-NE 3.38Å; R829-R834 PolarHBondContact O-NH2 3.36Å |
| 830 | N | 52.7 | Low | 51.4 | Low | 50 Ų | 50 | 104.2 Ų | 104.2 | 27% | 0.267 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -64 | 125.8 | -179.7 | -178.4 | -32.4 | 0 | 0 | 0 | 113.6 | E826 K827 F832 Y833 R834 | E826-N830 PolarHBondContact O-N 2.95Å; K827-N830 PolarHBondContact O-N 3.36Å; N830-F832 PolarHBondContact O-N 2.03Å; N830-F832 WeakPolarHBondContact OD1-CB 3.38Å; N830-F832 PolarHBondContact OD1-N 3.41Å; N830-Y833 PolarHBondContact O-N 3.33Å; N830-R834 PolarHBondContact O-N 3.23Å |
| 831 | P | 50.1 | Low | 52.3 | Low | 38 Ų | 38 | 100 Ų | 100 | 25% | 0.247 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58 | -36.9 | 179.1 | -26.1 | 35.2 | 0 | 0 | 0 | 115.5 | R834 F835 | P831-R834 PolarHBondContact O-N 3.11Å; P831-F835 WeakPolarHBondContact O-CB 3.46Å; P831-F835 PolarHBondContact O-N 3.4Å |
| 832 | F | 49.8 | Very low | 52.8 | Low | 103 Ų | 103 | 97.1 Ų | 97.1 | 45% | 0.452 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.9 | -38.2 | 176.9 | -73 | -91 | 0 | 0 | 0 | 111.7 | V344 F689 F693 N830 F835 W836 | V344-F832 HydrophobicContact CG1-CE1 3.75Å; V344-F832 HydrophobicContact CG1-CZ 4.25Å; F689-F832 HydrophobicContact CZ-CE1 4.46Å; F689-F832 HydrophobicContact CZ-CZ 4.2Å; F693-F832 HydrophobicContact CE2-CZ 4.44Å; N830-F832 PolarHBondContact O-N 2.03Å; N830-F832 WeakPolarHBondContact OD1-CB 3.38Å; N830-F832 PolarHBondContact OD1-N 3.41Å; F832-F835 WeakPolarHBondContact O-CB 3.46Å; F832-F835 PolarHBondContact O-N 2.61Å; F832-W836 WeakPolarHBondContact O-CB 3.05Å; F832-W836 PolarHBondContact O-N 2.92Å |
| 833 | Y | 62.9 | Low | 53.3 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 173.1 | 178.4 | -88.7 | 0 | 0 | 0 | 111.3 | K827 Q828 N830 F835 W836 K837 | K827-Y833 VanDerWaalsContact C-CD1 3.43Å; K827-Y833 HydrophobicContact CB-CD1 4.46Å; K827-Y833 HydrophobicContact CB-CD2 4.2Å; K827-Y833 HydrophobicContact CB-CE1 4.37Å; K827-Y833 HydrophobicContact CB-CE2 4.14Å; K827-Y833 HydrophobicContact CB-CG 4.35Å; K827-Y833 WeakPolarHBondContact O-CB 3.13Å; K827-Y833 WeakPolarHBondContact O-CD1 3.36Å; Q828-Y833 HydrophobicContact CG-CE1 4.15Å; N830-Y833 PolarHBondContact O-N 3.33Å; Y833-F835 VanDerWaalsContact C-N 3.31Å; Y833-F835 PolarHBondContact O-N 2.89Å; Y833-W836 PolarHBondContact O-N 3.48Å; Y833-K837 HydrophobicContact CD1-CB 4.36Å; Y833-K837 HydrophobicContact CD1-CD 4.48Å; Y833-K837 HydrophobicContact CE1-CB 4.15Å; Y833-K837 HydrophobicContact CE1-CD 3.64Å; Y833-K837 HydrophobicContact CE1-CG 4.48Å; Y833-K837 WeakPolarHBondContact O-CB 3.46Å; Y833-K837 PolarHBondContact O-N 2.94Å |
| 834 | R | 60 | Low | 53.3 | Low | 142 Ų | 142 | 99.6 Ų | 99.6 | 54% | 0.536 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 172.5 | -66.2 | -169.3 | -148.2 | 165.1 | 17.7 | 111.5 | Q828 R829 N830 P831 R838 | Q828-R834 VanDerWaalsContact O-CG 3.24Å; Q828-R834 WeakPolarHBondContact O-CG 3.32Å; Q828-R834 PolarHBondContact O-NE 2.83Å; R829-R834 PolarHBondContact O-NE 3.38Å; R829-R834 PolarHBondContact O-NH2 3.36Å; N830-R834 PolarHBondContact O-N 3.23Å; P831-R834 PolarHBondContact O-N 3.11Å; R834-R838 WeakPolarHBondContact O-CB 3.4Å; R834-R838 PolarHBondContact O-N 3.18Å |
| 835 | F | 56.6 | Low | 53 | Low | 38 Ų | 38 | 97.4 Ų | 97.4 | 17% | 0.167 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -57.5 | -55.6 | 172.4 | 177.6 | -96.6 | 0 | 0 | 0 | 111 | F294 Y347 L374 P831 F832 Y833 K837 R838 M839 | F294-F835 HydrophobicContact CZ-CZ 4.31Å; Y347-F835 HydrophobicContact CD1-CD2 4.22Å; Y347-F835 HydrophobicContact CD2-CD2 4.42Å; Y347-F835 HydrophobicContact CE1-CB 3.83Å; Y347-F835 AromaticContact CE1-CD2 3.98Å; Y347-F835 HydrophobicContact CE1-CD2 3.98Å; Y347-F835 HydrophobicContact CE1-CG 4.25Å; Y347-F835 HydrophobicContact CE2-CD2 4.17Å; Y347-F835 HydrophobicContact CG-CD2 4.44Å; Y347-F835 AromaticContact CZ-CD2 3.95Å; L374-F835 HydrophobicContact CD1-CE2 4.37Å; L374-F835 HydrophobicContact CD1-CZ 4.41Å; P831-F835 WeakPolarHBondContact O-CB 3.46Å; P831-F835 PolarHBondContact O-N 3.4Å; F832-F835 WeakPolarHBondContact O-CB 3.46Å; F832-F835 PolarHBondContact O-N 2.61Å; Y833-F835 VanDerWaalsContact C-N 3.31Å; Y833-F835 PolarHBondContact O-N 2.89Å; F835-K837 PolarHBondContact O-N 3.29Å; F835-R838 PolarHBondContact O-N 2.92Å; F835-M839 HydrophobicContact CD1-CG 4.28Å; F835-M839 HydrophobicContact CE1-CG 4Å; F835-M839 HydrophobicContact CE2-CG 4.34Å; F835-M839 HydrophobicContact CZ-CG 4.04Å; F835-M839 HydrophobicContact CZ-SD 4.35Å; F835-M839 WeakPolarHBondContact O-CB 3.45Å; F835-M839 VanDerWaalsContact O-CG 3.32Å; F835-M839 WeakPolarHBondContact O-CG 3.22Å; F835-M839 PolarHBondContact O-N 3.12Å |
| 836 | W | 63.3 | Low | 52.2 | Low | 140 Ų | 140 | 97.7 Ų | 97.7 | 53% | 0.53 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | -179.7 | -103.4 | 107.3 | 0 | 0 | 0 | 114.5 | F832 Y833 R840 | F832-W836 WeakPolarHBondContact O-CB 3.05Å; F832-W836 PolarHBondContact O-N 2.92Å; Y833-W836 PolarHBondContact O-N 3.48Å; W836-R840 WeakPolarHBondContact O-CB 3.45Å; W836-R840 PolarHBondContact O-N 3.49Å |
| 837 | K | 64.1 | Low | 51.5 | Low | 93 Ų | 93 | 97.7 Ų | 97.7 | 40% | 0.404 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 175.1 | -178.8 | 168.6 | 174.7 | 173.2 | 0 | 110.6 | Y833 F835 R840 S841 | Y833-K837 HydrophobicContact CD1-CB 4.36Å; Y833-K837 HydrophobicContact CD1-CD 4.48Å; Y833-K837 HydrophobicContact CE1-CB 4.15Å; Y833-K837 HydrophobicContact CE1-CD 3.64Å; Y833-K837 HydrophobicContact CE1-CG 4.48Å; Y833-K837 WeakPolarHBondContact O-CB 3.46Å; Y833-K837 PolarHBondContact O-N 2.94Å; F835-K837 PolarHBondContact O-N 3.29Å; K837-R840 PolarHBondContact O-N 3.3Å; K837-S841 PolarHBondContact O-N 3.44Å; K837-S841 PolarHBondContact O-OG 2.98Å |
| 838 | R | 58.6 | Low | 51 | Low | 149 Ų | 149 | 102.2 Ų | 102.2 | 56% | 0.562 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.5 | -42.4 | 177.5 | -159.7 | 168.1 | -167.5 | 165.8 | 2.3 | 111.7 | R834 F835 S841 L842 | R834-R838 WeakPolarHBondContact O-CB 3.4Å; R834-R838 PolarHBondContact O-N 3.18Å; F835-R838 PolarHBondContact O-N 2.92Å; R838-S841 WeakPolarHBondContact CA-OG 3.26Å; R838-S841 PolarHBondContact O-N 3.45Å; R838-S841 PolarHBondContact O-OG 3.19Å; R838-L842 WeakPolarHBondContact O-CG 3.24Å; R838-L842 PolarHBondContact O-N 2.85Å |
| 839 | M | 51.4 | Low | 50 | Low | 41 Ų | 41 | 103.1 Ų | 103.1 | 20% | 0.202 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -56.5 | -48.6 | 169.9 | -71 | -64.7 | -73.5 | 0 | 0 | 111.5 | F294 F835 S841 L842 G843 | F294-M839 HydrophobicContact CD1-CE 4.42Å; F294-M839 HydrophobicContact CE1-CE 3.5Å; F294-M839 HydrophobicContact CE1-SD 3.72Å; F294-M839 HydrophobicContact CZ-CE 3.6Å; F294-M839 HydrophobicContact CZ-SD 4.28Å; F835-M839 HydrophobicContact CD1-CG 4.28Å; F835-M839 HydrophobicContact CE1-CG 4Å; F835-M839 HydrophobicContact CE2-CG 4.34Å; F835-M839 HydrophobicContact CZ-CG 4.04Å; F835-M839 HydrophobicContact CZ-SD 4.35Å; F835-M839 WeakPolarHBondContact O-CB 3.45Å; F835-M839 VanDerWaalsContact O-CG 3.32Å; F835-M839 WeakPolarHBondContact O-CG 3.22Å; F835-M839 PolarHBondContact O-N 3.12Å; M839-S841 PolarHBondContact O-N 3.28Å; M839-L842 PolarHBondContact O-N 3.41Å; M839-G843 PolarHBondContact O-N 3.16Å; M839-G843 VanDerWaalsContact O-N 3.13Å |
| 840 | R | 62.9 | Low | 49.3 | Very low | 151 Ų | 151 | 108.5 Ų | 108.5 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.9 | -37 | 174.7 | -91.1 | -173.2 | -84.7 | -164.7 | -8.3 | 113.7 | W836 K837 G843 K844 | W836-R840 WeakPolarHBondContact O-CB 3.45Å; W836-R840 PolarHBondContact O-N 3.49Å; K837-R840 PolarHBondContact O-N 3.3Å; R840-G843 PolarHBondContact O-N 3.05Å; R840-K844 PolarHBondContact O-N 3.49Å |
| 841 | S | 57.1 | Low | 48.3 | Very low | 72 Ų | 72 | 115 Ų | 115 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.8 | -35.7 | 176.8 | 66.3 | 0 | 0 | 0 | 0 | 113 | K837 R838 M839 K844 | K837-S841 PolarHBondContact O-N 3.44Å; K837-S841 PolarHBondContact O-OG 2.98Å; R838-S841 WeakPolarHBondContact CA-OG 3.26Å; R838-S841 PolarHBondContact O-N 3.45Å; R838-S841 PolarHBondContact O-OG 3.19Å; M839-S841 PolarHBondContact O-N 3.28Å; S841-K844 PolarHBondContact O-N 3.2Å |
| 842 | L | 49.5 | Very low | 47.4 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 48% | 0.482 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.3 | -35.3 | 176.3 | -70.8 | 165 | 0 | 0 | 0 | 111.7 | L291 R838 M839 K844 | L291-L842 HydrophobicContact CD1-CD1 4.19Å; L291-L842 HydrophobicContact CD2-CD1 4.05Å; L291-L842 HydrophobicContact CD2-CD2 4.46Å; L291-L842 HydrophobicContact CG-CD1 4.49Å; R838-L842 WeakPolarHBondContact O-CG 3.24Å; R838-L842 PolarHBondContact O-N 2.85Å; M839-L842 PolarHBondContact O-N 3.41Å; L842-K844 VanDerWaalsContact C-N 3.32Å; L842-K844 PolarHBondContact O-N 3.3Å |
| 843 | G | 48 | Very low | 46.3 | Very low | 68 Ų | 68 | 121 Ų | 121 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.3 | -13.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | M839 R840 | M839-G843 PolarHBondContact O-N 3.16Å; M839-G843 VanDerWaalsContact O-N 3.13Å; R840-G843 PolarHBondContact O-N 3.05Å |
| 844 | K | 46.5 | Very low | 44.9 | Very low | 185 Ų | 185 | 125 Ų | 125 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 4 | -176.9 | -79.8 | -163.2 | 169.5 | -160.9 | 0 | 115.3 | R840 S841 L842 S846 | R840-K844 PolarHBondContact O-N 3.49Å; S841-K844 PolarHBondContact O-N 3.2Å; L842-K844 VanDerWaalsContact C-N 3.32Å; L842-K844 PolarHBondContact O-N 3.3Å; K844-S846 PolarHBondContact O-N 3.01Å |
| 845 | S | 37.2 | Very low | 43.4 | Very low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -96.5 | 34.7 | -176.1 | -168.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 846 | S | 32.7 | Very low | 42.2 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -161.6 | 60.8 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 113.9 | K844 | K844-S846 PolarHBondContact O-N 3.01Š|
| 847 | S | 32.8 | Very low | 40.5 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | trans | 177.1 | 103.2 | 154.6 | 28 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 848 | H | 35.3 | Very low | 39 | Very low | 193 Ų | 193 | 130.8 Ų | 130.8 | 89% | 0.894 | 72% | 0.717 | S | S | * | * | trans | 176.1 | 91.1 | 139.1 | -102.5 | -70.7 | 0 | 0 | 0 | 109.5 | ||||
| 849 | S | 28.9 | Very low | 37.7 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -94.6 | 127.5 | 153.8 | 48.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 850 | K | 33.9 | Very low | 36.7 | Very low | 206 Ų | 206 | 138.7 Ų | 138.7 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | trans | -170.8 | 136.9 | 150.1 | -110.1 | 171 | -176.5 | -175.7 | 0 | 109.7 | ||||
| 851 | H | 31.6 | Very low | 35.2 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -70.4 | 144.3 | 170.4 | -68.4 | -107.3 | 0 | 0 | 0 | 110.6 | ||||
| 852 | S | 32 | Very low | 34 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | -157.1 | 153.4 | 127.8 | -37.1 | 0 | 0 | 0 | 0 | 109 | |||||
| 853 | N | 27.7 | Very low | 33.2 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -94.1 | -177.7 | 166.7 | -71 | -23.4 | 0 | 0 | 0 | 110.3 | ||||
| 854 | H | 32.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | 81.6 | 123.4 | -173.2 | -55.7 | -71.6 | 0 | 0 | 0 | 114 | ||||
| 855 | Q | 28.8 | Very low | 31.9 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | cis | 88.3 | 152.9 | 35 | -170.4 | -175.7 | 9 | 0 | 0 | 112.4 | ||||
| 856 | V | 31.3 | Very low | 31.5 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 91.9 | 122.8 | -175.7 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 857 | D | 27.1 | Very low | 31.6 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -99.3 | 167.8 | -164.4 | -47.9 | -92.3 | 0 | 0 | 0 | 111.8 | ||||
| 858 | A | 34.1 | Very low | 31.7 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -143.4 | 99.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 859 | N | 30 | Very low | 31.7 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | trans | -70.4 | 154.8 | -178.6 | -68.6 | -5.3 | 0 | 0 | 0 | 111.8 | E861 | N859-E861 HydrophobicContact CB-CG 3.78Å; N859-E861 PolarHBondContact ND2-OE1 2.89Å | ||
| 860 | Y | 31.7 | Very low | 32.1 | Very low | 245 Ų | 245 | 145.5 Ų | 145.5 | 96% | 0.961 | 77% | 0.77 | S | S | * | * | trans | -132.1 | 124.7 | 133.3 | -124.8 | -88.1 | 0 | 0 | 0 | 107.8 | ||||
| 861 | E | 30.7 | Very low | 32.4 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | -101.1 | 160.8 | -162.4 | -56.5 | 178.7 | 138.2 | 0 | 0 | 112.9 | N859 | N859-E861 HydrophobicContact CB-CG 3.78Å; N859-E861 PolarHBondContact ND2-OE1 2.89Å | ||
| 862 | L | 32.4 | Very low | 32.5 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | 168.1 | 88.4 | 139.9 | -87 | 149.6 | 0 | 0 | 0 | 106 | ||||
| 863 | S | 31.7 | Very low | 32.6 | Very low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | 61.1 | 132.9 | 75 | 82.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 864 | I | 33.8 | Very low | 33 | Very low | 154 Ų | 154 | 142 Ų | 142 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | cis | -158.2 | 154.5 | 34.2 | -76.3 | 178.3 | 0 | 0 | 0 | 107.1 | ||||
| 865 | N | 33.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | cis | -156.9 | 151.1 | -18.1 | -106.4 | 46.2 | 0 | 0 | 0 | 106.5 | ||||
| 866 | E | 30.2 | Very low | 32.9 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | 69.1 | 151.9 | 79.9 | -58.5 | -157.8 | 124.4 | 0 | 0 | 119.1 | |||||
| 867 | T | 34.8 | Very low | 32.9 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | 83.1 | 135.6 | -178.7 | 69.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 868 | S | 34.3 | Very low | 32.9 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | -161.6 | 170.1 | -21.8 | -160.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 869 | D | 35.8 | Very low | 32.7 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 71.4 | 83.5 | 152.2 | -66.4 | -61.3 | 0 | 0 | 0 | 123.7 | ||||
| 870 | N | 37.6 | Very low | 32.5 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 62.3 | 166 | 110.9 | -109.8 | -10.6 | 0 | 0 | 0 | 121.9 | |||||
| 871 | P | 39.2 | Very low | 32.5 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | -134.1 | 163 | -111.2 | 42.9 | -26.1 | 0 | 0 | 0 | 116.8 | |||||
| 872 | N | 34.2 | Very low | 32.6 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -165.7 | 125.8 | 147.6 | -102.8 | -42.9 | 0 | 0 | 0 | 111.5 | ||||
| 873 | E | 32.9 | Very low | 32.4 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 153.4 | 108.9 | 140.8 | -82.3 | -151.3 | 116.9 | 0 | 0 | 114.3 | ||||
| 874 | N | 37.2 | Very low | 32.6 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | 32.3 | 101.8 | 137.3 | -57.9 | -40 | 0 | 0 | 0 | 120.8 | ||||
| 875 | K | 25.9 | Very low | 32.6 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 144.2 | 160.5 | -77.1 | 178.4 | 176.1 | 171.8 | 0 | 112.8 | ||
| 876 | P | 33.4 | Very low | 32.7 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 131.3 | 149.7 | 32.9 | -29.2 | 0 | 0 | 0 | 111.2 | ||
| 877 | T | 29.8 | Very low | 33 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 150.2 | -174.4 | -48.4 | 0 | 0 | 0 | 0 | 113.2 | T879 | T877-T879 HydrophobicContact CG2-CG2 3.91Š|
| 878 | F | 26.9 | Very low | 33.1 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -110.9 | 121.9 | 169.4 | -145.2 | -86.4 | 0 | 0 | 0 | 109.2 | ||||
| 879 | T | 31.6 | Very low | 33.2 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | trans | -123.6 | 126.3 | -172.5 | 51.2 | 0 | 0 | 0 | 0 | 113 | T877 | T877-T879 HydrophobicContact CG2-CG2 3.91Š| ||
| 880 | L | 25.2 | Very low | 32.9 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -81.6 | 144.7 | 160.5 | -98.4 | 71.3 | 0 | 0 | 0 | 110.3 | ||||
| 881 | F | 31.5 | Very low | 32.7 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | trans | -160.6 | 116.6 | 146.2 | -72.7 | -62.1 | 0 | 0 | 0 | 105.2 | ||||
| 882 | T | 33.4 | Very low | 32.1 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | 78.4 | 146.4 | 62.7 | 63.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 883 | D | 28.3 | Very low | 31.9 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -73.9 | 159.9 | -178.9 | -59.2 | -76.9 | 0 | 0 | 0 | 113.4 | ||||
| 884 | D | 35.7 | Very low | 31.6 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | -145.9 | 154.1 | 149.6 | -93.5 | -45.2 | 0 | 0 | 0 | 107 | ||||
| 885 | G | 32.9 | Very low | 31.1 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -137.1 | -158.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 886 | D | 35.6 | Very low | 31.2 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | 75.2 | 154.8 | 166.1 | -64 | -21.4 | 0 | 0 | 0 | 122.4 | ||||
| 887 | D | 37 | Very low | 30.8 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 76.8 | 93.7 | 160.4 | -76.2 | 5.8 | 0 | 0 | 0 | 123.7 | ||||
| 888 | N | 36.8 | Very low | 30.6 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | 67.8 | 98.7 | 119.2 | -57.7 | -36.9 | 0 | 0 | 0 | 120 | |||||
| 889 | N | 35.8 | Very low | 30.7 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | -176 | 146.9 | 91.7 | -96.8 | -72.4 | 0 | 0 | 0 | 112.9 | |||||
| 890 | L | 29.2 | Very low | 30.5 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | -95.2 | 156.9 | 170.7 | -132.9 | 78.1 | 0 | 0 | 0 | 109.8 | ||||
| 891 | P | 34.2 | Very low | 30.7 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | -143.8 | 167.2 | 80.3 | 38 | -21.5 | 0 | 0 | 0 | 116.1 | |||||
| 892 | N | 27.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | -59.5 | 140.1 | 177.3 | -57.1 | -56.3 | 0 | 0 | 0 | 113.7 | ||||
| 893 | T | 30.2 | Very low | 30.7 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | -172.3 | 151.9 | 118.1 | 18.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 894 | S | 26.3 | Very low | 30.9 | Very low | 91 Ų | 91 | 148.9 Ų | 148.9 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | 3.2 | 147 | 160.9 | 59.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 895 | N | 27 | Very low | 30.6 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 82.6 | 95.6 | 158.8 | -52.8 | -38.5 | 0 | 0 | 0 | 117.7 | ||||
| 896 | Q | 26.7 | Very low | 30.5 | Very low | 211 Ų | 211 | 145.8 Ų | 145.8 | 99% | 0.986 | 77% | 0.765 | S | S | * | * | trans | -111.7 | 94.1 | 149.9 | -79 | -163.8 | -4.4 | 0 | 0 | 111.2 | ||||
| 897 | S | 24.4 | Very low | 30.3 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -127.8 | 149.7 | 157.3 | 69.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 898 | F | 26.8 | Very low | 30 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 66.4 | 107.1 | 174.8 | -91.2 | -91.2 | 0 | 0 | 0 | 118.6 | R901 | F898-R901 HydrophobicContact CE1-CB 4.36Š| ||
| 899 | Y | 28 | Very low | 29.8 | Very low | 235 Ų | 235 | 146.2 Ų | 146.2 | 92% | 0.922 | 75% | 0.754 | S | S | * | * | -141.2 | 130.3 | 129.3 | -101.3 | -100.3 | 0 | 0 | 0 | 105.3 | |||||
| 900 | S | 29 | Very low | 29.6 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | -138.4 | 167.4 | 0.2 | -77.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 901 | R | 29.2 | Very low | 29.8 | Very low | 208 Ų | 208 | 143.8 Ų | 143.8 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -135.4 | 137.9 | 178.3 | 166.5 | -158.3 | -171.4 | 172.6 | 4.1 | 108 | F898 | F898-R901 HydrophobicContact CE1-CB 4.36Š| ||
| 902 | E | 31.1 | Very low | 29.9 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | -171.4 | 139.4 | 156.7 | -100.2 | 133 | -147.8 | 0 | 0 | 104.9 | ||||
| 903 | E | 33.1 | Very low | 30.2 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | cis | -142.8 | -179.3 | 19.9 | -58.3 | 180 | 69.6 | 0 | 0 | 110.4 | ||||
| 904 | H | 32.5 | Very low | 30.8 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | cis | -148.6 | -159.8 | -27 | -132.3 | -75.2 | 0 | 0 | 0 | 110.3 | ||||
| 905 | S | 30.6 | Very low | 31.4 | Very low | 78 Ų | 78 | 146.9 Ų | 146.9 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | trans | -42.7 | 149.6 | 168.1 | -148.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 906 | S | 29.5 | Very low | 31.8 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | cis | 88.5 | 131.2 | 14.8 | 99 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 907 | L | 31.1 | Very low | 32.3 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 167.1 | 116.3 | 139.3 | -99.2 | 162 | 0 | 0 | 0 | 115.8 | K909 | L907-K909 HydrophobicContact CD2-CG 4.36Š| ||
| 908 | E | 31.3 | Very low | 32.8 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 53% | 0.528 | 75% | 0.753 | S | S | . | * | trans | -168.7 | 112.9 | 140.2 | -98.7 | -170.1 | 150.6 | 0 | 0 | 104.1 | R158 | R158-E908 IonicContact NE-OE1 2.84Š| ||
| 909 | K | 32.8 | Very low | 33 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | 56.3 | 127.6 | 65.2 | -69.9 | -161.7 | 175.4 | -170.2 | 0 | 113.3 | L907 | L907-K909 HydrophobicContact CD2-CG 4.36Š| |||
| 910 | S | 31.9 | Very low | 33.4 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -162 | 163.2 | 1.4 | 52 | 0 | 0 | 0 | 0 | 112 | ||||
| 911 | N | 32.1 | Very low | 33.6 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | -177.9 | 164.6 | 122.7 | -90 | 1.1 | 0 | 0 | 0 | 112.8 | |||||
| 912 | E | 36.9 | Very low | 33.7 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | 82.5 | 160.3 | 176.5 | -53.7 | -164.8 | 149.4 | 0 | 0 | 118.1 | ||||
| 913 | S | 34.1 | Very low | 33.8 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -121.2 | 156.9 | -131 | -64.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 914 | P | 41.7 | Very low | 33.6 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -94.8 | 164 | -173.4 | 39.1 | -37.6 | 0 | 0 | 0 | 114.7 | ||||
| 915 | P | 39.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | -141.8 | -178 | 104.7 | 25.6 | -5.5 | 0 | 0 | 0 | 113.6 | |||||
| 916 | V | 35.7 | Very low | 33.5 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | -171.7 | 159.7 | -51.9 | 133 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 917 | K | 36.7 | Very low | 33.7 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | 85.5 | 152.3 | -179 | -50.7 | -172.3 | -171.8 | 178.1 | 0 | 117 | ||||
| 918 | S | 34.3 | Very low | 33.8 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | cis | -171.5 | 132.6 | -32.1 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 919 | N | 32.6 | Very low | 33.7 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 65.3 | 160.7 | 142.1 | -66.5 | 2.3 | 0 | 0 | 0 | 124.2 | ||||
| 920 | S | 34.9 | Very low | 33.9 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 71 | 127.7 | 175 | 59.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 921 | N | 33.2 | Very low | 33.7 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | cis | 68.5 | 131.6 | 41 | -59.2 | -13.3 | 0 | 0 | 0 | 112 | ||||
| 922 | Q | 31.9 | Very low | 33.5 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | cis | -150.9 | 167.4 | 17.1 | -125 | 168.5 | -15 | 0 | 0 | 110.4 | ||||
| 923 | P | 33 | Very low | 33.1 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | trans | -107 | 158.9 | -175.8 | 38.9 | -31.8 | 0 | 0 | 0 | 115 | ||||
| 924 | T | 30 | Very low | 33 | Very low | 150 Ų | 150 | 144 Ų | 144 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | trans | -171.1 | 171.3 | 152.7 | 5.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 925 | A | 32.9 | Very low | 32.3 | Very low | 86 Ų | 86 | 149.8 Ų | 149.8 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 72.4 | 71.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 926 | S | 27.8 | Very low | 31.7 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | 29.2 | 123.5 | 126.9 | 59.9 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 927 | K | 33.8 | Very low | 31.4 | Very low | 201 Ų | 201 | 153.1 Ų | 153.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -156.6 | 129.4 | 140.8 | -117.1 | 167.6 | -174.2 | 176.3 | 0 | 114.1 | ||||
| 928 | S | 32.7 | Very low | 30.8 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 33.7 | 125.4 | 151.8 | 54.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 929 | Q | 29.2 | Very low | 30.7 | Very low | 190 Ų | 190 | 153.8 Ų | 153.8 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 150.9 | 161.8 | -59.3 | 168 | -44.8 | 0 | 0 | 112.7 | ||
| 930 | P | 35.7 | Very low | 30.4 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -98 | 145.4 | 150.6 | 33.7 | -27.6 | 0 | 0 | 0 | 111.9 | ||
| 931 | Y | 28.6 | Very low | 30.2 | Very low | 222 Ų | 222 | 156.7 Ų | 156.7 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 142.4 | -171.3 | -113.3 | -115.8 | 0 | 0 | 0 | 115.4 | ||
| 932 | S | 28.9 | Very low | 30.1 | Very low | 107 Ų | 107 | 157.6 Ų | 157.6 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 126.4 | 153.1 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 933 | R | 28.1 | Very low | 30 | Very low | 228 Ų | 228 | 157.4 Ų | 157.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -116.9 | 72.7 | -179.5 | -156.5 | 171.2 | -172.2 | 179 | 3.3 | 111.5 | R935 | R933-R935 PolarHBondContact O-N 3.08Å; R933-R935 VanDerWaalsContact O-N 3.09Å | ||
| 934 | E | 30.7 | Very low | 29.9 | Very low | 135 Ų | 135 | 157 Ų | 157 | 63% | 0.631 | 80% | 0.799 | S | S | * | * | trans | -52.3 | 113.8 | 165.6 | -88.1 | -155.9 | 149.4 | 0 | 0 | 109.6 | R936 | E934-R936 PolarHBondContact O-N 2.86Å; E934-R936 IonicContact OE2-CZ 3.13Å; E934-R936 IonicContact OE2-NE 3.01Å; E934-R936 PolarHBondContact OE2-NE 3.21Å; E934-R936 IonicContact OE2-NH2 3.49Å; E934-R936 PolarHBondContact OE2-NH2 3.39Å | ||
| 935 | R | 26.9 | Very low | 30 | Very low | 234 Ų | 234 | 157.9 Ų | 157.9 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -78.8 | 75.4 | 167.8 | -66.5 | -165.9 | -169 | -154.9 | 4.7 | 110 | R933 V937 | R933-R935 PolarHBondContact O-N 3.08Å; R933-R935 VanDerWaalsContact O-N 3.09Å; R935-V937 PolarHBondContact O-N 2.83Å | ||
| 936 | R | 28.9 | Very low | 29.8 | Very low | 197 Ų | 197 | 161 Ų | 161 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -65.8 | 112.4 | 160.2 | -68.7 | -172.1 | -175.7 | -159.7 | -0.1 | 108.2 | E934 L938 | E934-R936 PolarHBondContact O-N 2.86Å; E934-R936 IonicContact OE2-CZ 3.13Å; E934-R936 IonicContact OE2-NE 3.01Å; E934-R936 PolarHBondContact OE2-NE 3.21Å; E934-R936 IonicContact OE2-NH2 3.49Å; E934-R936 PolarHBondContact OE2-NH2 3.39Å; R936-L938 VanDerWaalsContact C-N 3.29Å; R936-L938 PolarHBondContact O-N 3.3Å | ||
| 937 | V | 27.7 | Very low | 30.1 | Very low | 120 Ų | 120 | 165.3 Ų | 165.3 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -78.1 | 86.2 | 170.7 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | R935 I939 | R935-V937 PolarHBondContact O-N 2.83Å; V937-I939 HydrophobicContact CG1-CD1 3.75Å; V937-I939 HydrophobicContact CG1-CG1 3.85Å; V937-I939 PolarHBondContact O-N 3.19Å | ||
| 938 | L | 26 | Very low | 29.9 | Very low | 163 Ų | 163 | 161.9 Ų | 161.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -70.5 | 115.5 | 165 | -87.8 | 160.7 | 0 | 0 | 0 | 108.2 | R936 | R936-L938 VanDerWaalsContact C-N 3.29Å; R936-L938 PolarHBondContact O-N 3.3Å | ||
| 939 | I | 30.6 | Very low | 29.9 | Very low | 142 Ų | 142 | 160.4 Ų | 160.4 | 73% | 0.728 | 81% | 0.814 | S | S | * | * | trans | -123.5 | 125.2 | 166.2 | -68.2 | 174 | 0 | 0 | 0 | 107.6 | V937 | V937-I939 HydrophobicContact CG1-CD1 3.75Å; V937-I939 HydrophobicContact CG1-CG1 3.85Å; V937-I939 PolarHBondContact O-N 3.19Å | ||
| 940 | L | 27.4 | Very low | 30 | Very low | 148 Ų | 148 | 159.2 Ų | 159.2 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -33.1 | 135.8 | -177.5 | -68.5 | 143.4 | 0 | 0 | 0 | 116.2 | ||||
| 941 | N | 29.8 | Very low | 29.8 | Very low | 172 Ų | 172 | 159.2 Ų | 159.2 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | trans | -153.1 | 87.7 | 145.3 | -97.4 | -24 | 0 | 0 | 0 | 106.7 | ||||
| 942 | Q | 30.8 | Very low | 29.9 | Very low | 171 Ų | 171 | 158.9 Ų | 158.9 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -136.9 | 88.8 | -178.9 | -148.1 | 177.2 | -7.2 | 0 | 0 | 108.6 | ||||
| 943 | Q | 31.4 | Very low | 29.9 | Very low | 182 Ų | 182 | 162.7 Ų | 162.7 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | 179.8 | 94.8 | 166.9 | -102.5 | 162.4 | -27 | 0 | 0 | 103.2 | ||||
| 944 | T | 30.7 | Very low | 30 | Very low | 102 Ų | 102 | 161.5 Ų | 161.5 | 63% | 0.626 | 81% | 0.814 | S | S | * | * | 55.9 | 88.9 | 66.5 | 73.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 945 | D | 31.7 | Very low | 29.9 | Very low | 167 Ų | 167 | 161 Ų | 161 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -118.6 | 123.4 | 138.4 | -68.6 | -53.2 | 0 | 0 | 0 | 105.4 | ||||
| 946 | N | 29.1 | Very low | 30 | Very low | 153 Ų | 153 | 161.4 Ų | 161.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -105.1 | 113.7 | 179.4 | -72.5 | -30.1 | 0 | 0 | 0 | 108.5 | ||||
| 947 | E | 33.2 | Very low | 30.2 | Very low | 203 Ų | 203 | 160.1 Ų | 160.1 | 95% | 0.949 | 83% | 0.832 | S | S | * | * | trans | -128.2 | 137.2 | 159.4 | -72.6 | -167.1 | 127.8 | 0 | 0 | 109.9 | ||||
| 948 | S | 30.9 | Very low | 30.3 | Very low | 130 Ų | 130 | 161.6 Ų | 161.6 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -96.4 | 130.5 | -170.7 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 949 | G | 31.2 | Very low | 30.7 | Very low | 77 Ų | 77 | 159.6 Ų | 159.6 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -155.3 | 139.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 950 | E | 32 | Very low | 30.9 | Very low | 165 Ų | 165 | 157 Ų | 157 | 77% | 0.771 | 83% | 0.832 | S | S | * | * | trans | -71.9 | 156.6 | -164.5 | -64.1 | -170.2 | 126.2 | 0 | 0 | 115.2 | ||||
| 951 | P | 30.3 | Very low | 31.2 | Very low | 126 Ų | 126 | 159.5 Ų | 159.5 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -87.2 | 126.8 | 174.3 | 34 | -31.3 | 0 | 0 | 0 | 112.1 | ||||
| 952 | Y | 31.1 | Very low | 31.3 | Very low | 215 Ų | 215 | 154.6 Ų | 154.6 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -111.2 | 135.7 | 165 | -88.7 | -86.3 | 0 | 0 | 0 | 111.9 | ||||
| 953 | E | 28.4 | Very low | 31.4 | Very low | 187 Ų | 187 | 153.8 Ų | 153.8 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -125.9 | 104.7 | -171.9 | 178.6 | 178.3 | -139.1 | 0 | 0 | 110.6 | ||||
| 954 | K | 30.4 | Very low | 31.4 | Very low | 203 Ų | 203 | 151.9 Ų | 151.9 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | 171.3 | 158.7 | 165.4 | -98.7 | 152.7 | -171.9 | 177 | 0 | 107.6 | ||||
| 955 | C | 29.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 156 Ų | 156 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | cis | -119.2 | 153.1 | 11.2 | -70.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 956 | R | 28.2 | Very low | 31.4 | Very low | 241 Ų | 241 | 155.3 Ų | 155.3 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | trans | -148.5 | 105.1 | 159 | -175.6 | -169.8 | -163.9 | 175.4 | 7.5 | 107.8 | ||||
| 957 | L | 33.7 | Very low | 31.6 | Very low | 170 Ų | 170 | 159 Ų | 159 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -149.7 | 128.7 | 176.7 | -98.2 | 167.6 | 0 | 0 | 0 | 108.9 | ||||
| 958 | D | 29.1 | Very low | 31.4 | Very low | 151 Ų | 151 | 154.9 Ų | 154.9 | 81% | 0.807 | 83% | 0.83 | S | S | * | * | trans | -90.5 | 161.5 | 173.5 | -90.5 | -60.6 | 0 | 0 | 0 | 111.2 | ||||
| 959 | P | 35.1 | Very low | 31.8 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -99 | 147.5 | -157.2 | 36.3 | -36 | 0 | 0 | 0 | 116.1 | ||||
| 960 | A | 34.7 | Very low | 31.9 | Very low | 87 Ų | 87 | 155.6 Ų | 155.6 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | trans | -165.8 | 141.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 961 | Q | 34.3 | Very low | 32.1 | Very low | 201 Ų | 201 | 153.5 Ų | 153.5 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | 69.4 | 145.8 | 156.6 | -63.7 | 170.5 | -4.7 | 0 | 0 | 120.5 | ||||
| 962 | G | 32 | Very low | 32.3 | Very low | 70 Ų | 70 | 153.7 Ų | 153.7 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 92.7 | 88.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 963 | I | 32.5 | Very low | 32.5 | Very low | 153 Ų | 153 | 153 Ų | 153 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | 76.9 | 97.7 | 65 | -59.2 | 179.5 | 0 | 0 | 0 | 114 | |||||
| 964 | I | 30.6 | Very low | 32.7 | Very low | 143 Ų | 143 | 153.3 Ų | 153.3 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | trans | 43.9 | 116.3 | 137.5 | -43.2 | 171.3 | 0 | 0 | 0 | 118.8 | ||||
| 965 | E | 34 | Very low | 32.8 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | -166.6 | 148.4 | 106.4 | -98.1 | -175 | -179.9 | 0 | 0 | 111.7 | |||||
| 966 | D | 28.3 | Very low | 33.1 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -92.2 | 153.2 | -173.7 | -73.3 | -68.6 | 0 | 0 | 0 | 113.2 | ||||
| 967 | Y | 33.5 | Very low | 33.3 | Very low | 231 Ų | 231 | 145.1 Ų | 145.1 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -153.5 | 126.4 | 145.5 | -119.7 | -79.1 | 0 | 0 | 0 | 112.5 | ||||
| 968 | S | 30.7 | Very low | 33.3 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -161 | 124.8 | 172.4 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 969 | P | 38.1 | Very low | 33.3 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -139.4 | 159.6 | 149.5 | 37.2 | -23.6 | 0 | 0 | 0 | 112.7 | ||||
| 970 | S | 33.4 | Very low | 33.1 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | cis | -166.7 | 165.1 | -18.7 | 57 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 971 | P | 37.2 | Very low | 32.8 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -117.7 | 155 | -162.7 | 40.2 | -31.3 | 0 | 0 | 0 | 117.4 | ||||
| 972 | T | 34.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -150.4 | 154 | 159.3 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 973 | K | 34.5 | Very low | 32.6 | Very low | 201 Ų | 201 | 146.1 Ų | 146.1 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | cis | -150.8 | 166.2 | -6.1 | -116.7 | 165.7 | -173.8 | 175.6 | 0 | 109.2 | ||||
| 974 | K | 32.2 | Very low | 32.4 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -102.4 | 165.8 | -173.5 | -56.5 | 173.9 | 179.2 | 176.3 | 0 | 113.5 | ||||
| 975 | L | 34 | Very low | 32.3 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | -159.8 | 165.6 | 129.4 | -116.7 | 75.6 | 0 | 0 | 0 | 108.7 | |||||
| 976 | P | 35.4 | Very low | 32.2 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | -144.6 | -175.9 | -127.5 | 39.8 | -16.7 | 0 | 0 | 0 | 119 | |||||
| 977 | T | 31.4 | Very low | 32.1 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 70.4 | 146.1 | 161.8 | 40.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 978 | K | 33.7 | Very low | 31.9 | Very low | 208 Ų | 208 | 141.8 Ų | 141.8 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | cis | -118.9 | -179.9 | 15.7 | -69.7 | 178.4 | 179.4 | 172.1 | 0 | 113.9 | ||||
| 979 | S | 29.1 | Very low | 31.7 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -136 | 149.3 | -161.5 | 56.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 980 | I | 31.8 | Very low | 31.1 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -166.9 | 103.5 | 151.7 | -92.2 | 143.4 | 0 | 0 | 0 | 103.9 | ||||
| 981 | L | 28.2 | Very low | 31 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | 51.9 | 126.5 | 74.1 | -78.3 | 88.5 | 0 | 0 | 0 | 113.3 | |||||
| 982 | T | 31.9 | Very low | 30.7 | Very low | 122 Ų | 122 | 148 Ų | 148 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -156.1 | 160.6 | 12.2 | 31.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 983 | S | 30.7 | Very low | 30.6 | Very low | 114 Ų | 114 | 151 Ų | 151 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 13 | 145.7 | 140.3 | -143.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 984 | G | 27.8 | Very low | 30.6 | Very low | 61 Ų | 61 | 146.4 Ų | 146.4 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | cis | 110.5 | 98.9 | 6.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 985 | R | 28.3 | Very low | 30.8 | Very low | 241 Ų | 241 | 143.4 Ų | 143.4 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | 177 | 121.8 | 161.7 | -98.6 | 161.7 | -171.2 | -165 | 1.9 | 107.3 | ||||
| 986 | K | 31.9 | Very low | 30.6 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | 78.6 | 110 | 75.3 | -89.1 | -161.6 | 173.6 | -172.5 | 0 | 115.9 | |||||
| 987 | F | 26.3 | Very low | 30.2 | Very low | 211 Ų | 211 | 144.9 Ų | 144.9 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | 30.2 | 134.2 | 141.7 | -77.5 | -96.1 | 0 | 0 | 0 | 121.9 | ||||
| 988 | G | 28.6 | Very low | 30 | Very low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 163.5 | 79 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 989 | I | 26.5 | Very low | 29.8 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | 29.8 | 143.1 | 130.3 | -68.8 | 169.8 | 0 | 0 | 0 | 122 | ||||
| 990 | C | 26.2 | Very low | 29.7 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 68% | 0.676 | 79% | 0.79 | S | S | * | * | trans | 90.2 | 117.5 | 156.4 | -83.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 991 | D | 31 | Very low | 29.5 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | 78.2 | 148.5 | 122.2 | -57.9 | -17.6 | 0 | 0 | 0 | 125.4 | |||||
| 992 | H | 31.7 | Very low | 29.8 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -78.1 | 143 | 170.4 | -69.2 | -100.3 | 0 | 0 | 0 | 111.6 | ||||
| 993 | Q | 31.5 | Very low | 30.1 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | -170.6 | 167.7 | 109.4 | -100.4 | -157.1 | -14.1 | 0 | 0 | 111.8 | |||||
| 994 | P | 35.6 | Very low | 30.1 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | trans | -103.7 | 160.1 | -157 | 39.4 | -36.4 | 0 | 0 | 0 | 116.3 | ||||
| 995 | V | 35.7 | Very low | 30.6 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | 23.5 | 113.3 | 142.7 | -173.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 996 | D | 30.2 | Very low | 31 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | -159.1 | 176.5 | 110.9 | -129.6 | -40.3 | 0 | 0 | 0 | 113.8 | |||||
| 997 | Q | 27.3 | Very low | 31.2 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -39.4 | 136.4 | -176 | -64.6 | 148.7 | 39.7 | 0 | 0 | 118 | ||||
| 998 | C | 25.7 | Very low | 31.7 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | -174.6 | 142.4 | 110.6 | -109.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 999 | T | 29.8 | Very low | 32 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -88.3 | 136 | 166.8 | 47.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1000 | L | 27 | Very low | 32.5 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -165.9 | 151.1 | 146.4 | -110.5 | 159.4 | 0 | 0 | 0 | 114.3 | ||||
| 1001 | N | 27.9 | Very low | 33.1 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -65.9 | 161.9 | -163.4 | -50.1 | -19.3 | 0 | 0 | 0 | 116.7 | ||||
| 1002 | V | 34.2 | Very low | 33.4 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | trans | -115.6 | 92 | 147.3 | 178.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1003 | V | 38.4 | Very low | 33.6 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | 75.4 | 117.4 | 98.6 | 172 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1004 | D | 31.8 | Very low | 33.9 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -75.6 | 162.1 | -173.9 | -51.2 | -97.7 | 0 | 0 | 0 | 114.5 | ||||
| 1005 | N | 37.8 | Very low | 33.8 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | -155.9 | 97 | 133.5 | -116.8 | -18.7 | 0 | 0 | 0 | 113.3 | ||||
| 1006 | E | 36.2 | Very low | 33.8 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | 53 | 124.4 | 138.8 | -70.3 | -128.7 | 110.3 | 0 | 0 | 124.3 | ||||
| 1007 | N | 35.8 | Very low | 33.8 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 48% | 0.476 | 75% | 0.754 | S | S | . | * | trans | 85.4 | 102.2 | 130.6 | -79.3 | -47.3 | 0 | 0 | 0 | 123 | ||||
| 1008 | K | 36.3 | Very low | 33.9 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | 71.8 | 141.5 | 129.3 | -66.9 | 164.6 | -178.2 | 136.9 | 0 | 119.2 | |||||
| 1009 | S | 35.9 | Very low | 34.1 | Very low | 86 Ų | 86 | 130 Ų | 130 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | cis | -171.3 | 151.7 | -10.1 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1010 | N | 37.1 | Very low | 34.1 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 69.7 | 147.1 | 161.7 | -51.1 | -16.9 | 0 | 0 | 0 | 116.2 | ||||
| 1011 | N | 37.4 | Very low | 34.1 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | cis | -148.6 | 158.4 | -5.1 | -120.3 | -4.1 | 0 | 0 | 0 | 110.9 | ||||
| 1012 | P | 39.2 | Very low | 34.1 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -109.8 | 165.6 | -169.1 | 40.5 | -34.7 | 0 | 0 | 0 | 115.4 | ||||
| 1013 | S | 35.8 | Very low | 33.9 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -165.5 | 128.5 | 143 | 0.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1014 | N | 36 | Very low | 33.5 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | trans | 55.6 | 138.7 | 146.4 | -56.7 | -12 | 0 | 0 | 0 | 120.9 | ||||
| 1015 | S | 34.9 | Very low | 33.4 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -171.2 | 148 | -4.7 | 44.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1016 | V | 35.7 | Very low | 33.1 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 76% | 0.758 | 74% | 0.735 | S | S | * | * | trans | 65.2 | 114 | 154.4 | 171.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1017 | T | 29.6 | Very low | 32.7 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | cis | 62 | 134.4 | 8 | 78.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1018 | N | 30 | Very low | 32.3 | Very low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | cis | -164.8 | 141.1 | -0.9 | -131 | 3 | 0 | 0 | 0 | 112.6 | ||||
| 1019 | S | 29.8 | Very low | 31.9 | Very low | 79 Ų | 79 | 132 Ų | 132 | 55% | 0.552 | 75% | 0.746 | S | S | * | * | 60.4 | 136 | 120.3 | 79.9 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1020 | N | 28.6 | Very low | 31.4 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 58.6 | 122.4 | 140.9 | -58.7 | -11.1 | 0 | 0 | 0 | 119.6 | ||||
| 1021 | C | 26.9 | Very low | 31.2 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | 66.6 | 100.7 | 64.6 | -71.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 1022 | N | 29.4 | Very low | 31 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | 169.1 | 153.1 | 154.9 | -93.7 | -23.2 | 0 | 0 | 0 | 107.9 | ||||
| 1023 | S | 28.6 | Very low | 30.5 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | cis | -167.3 | -176.8 | -16 | -115.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1024 | S | 31.5 | Very low | 30.2 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | 84.9 | 134.8 | 154.6 | -53.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1025 | E | 29.3 | Very low | 30.1 | Very low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -78.3 | 165 | 166.2 | -51.2 | 159.9 | 114.1 | 0 | 0 | 110.7 | ||||
| 1026 | Q | 30.5 | Very low | 30 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | 174.8 | 146.2 | 113.5 | -91.6 | -174.5 | 25.6 | 0 | 0 | 114.7 | |||||
| 1027 | F | 27.6 | Very low | 30.1 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 45.9 | 113.8 | 148.3 | -80 | -102.6 | 0 | 0 | 0 | 124 | ||||
| 1028 | L | 27.4 | Very low | 30.4 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | 50.2 | 121 | 125.2 | -92.6 | 73.6 | 0 | 0 | 0 | 122.7 | |||||
| 1029 | K | 27.7 | Very low | 30.7 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | 78.1 | 149.5 | 133.7 | -73.5 | -173.2 | 175.4 | -175.8 | 0 | 121.4 | ||||
| 1030 | S | 26.6 | Very low | 30.9 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | 80.8 | 121.4 | 146.3 | 26.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1031 | H | 33.4 | Very low | 31.2 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | 69.2 | 113.8 | 143.2 | -75.8 | -84.1 | 0 | 0 | 0 | 121.4 | ||||
| 1032 | D | 31.7 | Very low | 31.7 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | 72.5 | 117.9 | 117.3 | -61.8 | 7.7 | 0 | 0 | 0 | 123.1 | |||||
| 1033 | N | 28.7 | Very low | 31.9 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | 77.7 | 139.6 | 125.7 | -69.1 | -29.8 | 0 | 0 | 0 | 122.2 | |||||
| 1034 | L | 30.7 | Very low | 32.2 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | 67.6 | 152.7 | 161.1 | -92.5 | 67.4 | 0 | 0 | 0 | 116.4 | ||||
| 1035 | S | 33.6 | Very low | 32.2 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | cis | -154 | 155.2 | -2.5 | 45 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1036 | S | 33.4 | Very low | 33 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | trans | -10.8 | 148.9 | 155.7 | 55.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1037 | V | 37.1 | Very low | 33.3 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | trans | 171.8 | 143.9 | 134.9 | 142.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1038 | N | 36.3 | Very low | 33.7 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | cis | -166 | 171.8 | -22.6 | -97.3 | 8.8 | 0 | 0 | 0 | 105.8 | ||||
| 1039 | E | 36.3 | Very low | 34.2 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 65% | 0.654 | 72% | 0.722 | S | S | * | * | cis | -165 | 158.7 | -5.4 | -118 | 171.1 | 116.9 | 0 | 0 | 110.5 | ||||
| 1040 | L | 33.9 | Very low | 34.4 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 71% | 0.707 | 73% | 0.725 | S | S | * | * | trans | 62.9 | 155.5 | 147.1 | -67.3 | 167 | 0 | 0 | 0 | 120.5 | ||||
| 1041 | C | 33.8 | Very low | 35 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | cis | -153.7 | 141.9 | 19.5 | -134.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1042 | H | 37.2 | Very low | 35 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | trans | 45.6 | 152.8 | 151.9 | -64.8 | -51 | 0 | 0 | 0 | 124.5 | ||||
| 1043 | S | 34.1 | Very low | 35.2 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | cis | -174.2 | 164.1 | -22.4 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1044 | N | 35.5 | Very low | 35.5 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | 92.8 | 164.2 | 154.3 | -61 | -10.6 | 0 | 0 | 0 | 121.9 | ||||
| 1045 | Q | 31.4 | Very low | 35.7 | Very low | 183 Ų | 183 | 129.2 Ų | 129.2 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | trans | -162 | -166.8 | -143 | -131 | -172.4 | -49.3 | 0 | 0 | 109.1 | ||||
| 1046 | P | 46.3 | Very low | 35.6 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 56% | 0.558 | 72% | 0.721 | S | S | * | * | cis | -140.5 | -159 | -18 | 35.4 | -11 | 0 | 0 | 0 | 115.1 | ||||
| 1047 | D | 37.4 | Very low | 35.7 | Very low | 131 Ų | 131 | 133 Ų | 133 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | 75.1 | 148.9 | 150.3 | -63.8 | -10.7 | 0 | 0 | 0 | 122 | ||||
| 1048 | N | 35.2 | Very low | 35.5 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | cis | -165.5 | 177.9 | -20.8 | -108.7 | -29.4 | 0 | 0 | 0 | 114 | ||||
| 1049 | E | 36.8 | Very low | 35.3 | Very low | 191 Ų | 191 | 133.1 Ų | 133.1 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | trans | 96.2 | 161.5 | 158 | -52.9 | -143 | 123.9 | 0 | 0 | 122.4 | ||||
| 1050 | L | 32.9 | Very low | 35 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | -140.4 | -155.8 | -160.4 | -131.4 | 83.5 | 0 | 0 | 0 | 109.6 | ||||
| 1051 | P | 39.3 | Very low | 34.8 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | cis | -137.4 | 159.4 | -0.3 | 43 | -24 | 0 | 0 | 0 | 119.5 | ||||
| 1052 | S | 33.5 | Very low | 34.8 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | trans | 24.9 | 141.9 | 143.8 | 68.7 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1053 | T | 36.4 | Very low | 34.6 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | 158.4 | 150.9 | 130.1 | 36.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1054 | L | 34.6 | Very low | 34.4 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | cis | -159.4 | 137.2 | -22.4 | -164.9 | 85.3 | 0 | 0 | 0 | 111.7 | ||||
| 1055 | N | 34.9 | Very low | 34.4 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | trans | 46.9 | 113.8 | 151 | -72.1 | -4 | 0 | 0 | 0 | 125.9 | ||||
| 1056 | N | 31.8 | Very low | 34.2 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | 86 | 148.4 | 112.1 | -62.9 | -10.8 | 0 | 0 | 0 | 125 | |||||
| 1057 | N | 34.2 | Very low | 33.6 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 77.2 | 132.5 | 170.3 | -50.8 | -31.3 | 0 | 0 | 0 | 114.7 | ||||
| 1058 | T | 32.7 | Very low | 33.4 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | cis | -149.8 | 136.9 | 20.6 | -50.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1059 | V | 34.1 | Very low | 33.1 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 30.6 | 97.2 | 156.1 | -170.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1060 | I | 30.1 | Very low | 33.1 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | 27.3 | 110.7 | 126.2 | -49.8 | 172.6 | 0 | 0 | 0 | 118.6 | |||||
| 1061 | N | 29.6 | Very low | 32.9 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | -171 | 101.7 | 126.8 | -104.9 | -19.1 | 0 | 0 | 0 | 110.7 | |||||
| 1062 | D | 32 | Very low | 32.6 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -179.4 | 150.8 | 143.8 | -107.3 | -24.7 | 0 | 0 | 0 | 111.6 | ||||
| 1063 | H | 34.2 | Very low | 32.4 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -129 | 88.5 | 173.1 | -115.3 | -41.7 | 0 | 0 | 0 | 110.3 | ||||
| 1064 | Q | 30.3 | Very low | 32.1 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -92.2 | 147.6 | 159.5 | -71.7 | -168.8 | -6.6 | 0 | 0 | 110.2 | ||||
| 1065 | I | 34.1 | Very low | 31.7 | Very low | 165 Ų | 165 | 153 Ų | 153 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -115.2 | 134.8 | 169.2 | -67.3 | 179.5 | 0 | 0 | 0 | 108 | ||||
| 1066 | I | 27.2 | Very low | 31.5 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -97.4 | 125.8 | -166.8 | -60.7 | 161.6 | 0 | 0 | 0 | 111.4 | ||||
| 1067 | T | 34.3 | Very low | 31.3 | Very low | 132 Ų | 132 | 159 Ų | 159 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -159 | 145 | 150.7 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1068 | R | 32.7 | Very low | 31 | Very low | 233 Ų | 233 | 160.8 Ų | 160.8 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | cis | -170.2 | 131.6 | -28.9 | -154.7 | 173.1 | -175.4 | 161 | 0.5 | 104.7 | ||||
| 1069 | D | 28.9 | Very low | 31 | Very low | 122 Ų | 122 | 163.9 Ų | 163.9 | 65% | 0.652 | 81% | 0.807 | S | S | * | * | trans | -83.8 | 154.8 | -172.8 | 178.8 | 57.7 | 0 | 0 | 0 | 113.7 | S1071 | D1069-S1071 VanDerWaalsContact CG-N 3.31Å; D1069-S1071 PolarHBondContact OD1-N 2.99Å; D1069-S1071 VanDerWaalsContact OD2-CB 3.26Å; D1069-S1071 WeakPolarHBondContact OD2-CB 3.44Å; D1069-S1071 PolarHBondContact OD2-N 2.61Å; D1069-S1071 PolarHBondContact OD2-OG 2.82Å | ||
| 1070 | P | 37.9 | Very low | 30.7 | Very low | 125 Ų | 125 | 164.9 Ų | 164.9 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -135.3 | 79.7 | 147.6 | 37.9 | -22.6 | 0 | 0 | 0 | 113.4 | H1072 | P1070-H1072 PolarHBondContact O-N 3.35Š| ||
| 1071 | S | 27.7 | Very low | 30.9 | Very low | 83 Ų | 83 | 167 Ų | 167 | 58% | 0.58 | 82% | 0.815 | S | S | * | * | trans | -85.6 | 99.6 | 170.9 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | D1069 | D1069-S1071 VanDerWaalsContact CG-N 3.31Å; D1069-S1071 PolarHBondContact OD1-N 2.99Å; D1069-S1071 VanDerWaalsContact OD2-CB 3.26Å; D1069-S1071 WeakPolarHBondContact OD2-CB 3.44Å; D1069-S1071 PolarHBondContact OD2-N 2.61Å; D1069-S1071 PolarHBondContact OD2-OG 2.82Å | ||
| 1072 | H | 34.1 | Very low | 31.1 | Very low | 176 Ų | 176 | 165 Ų | 165 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -167.1 | 103.6 | 165.2 | -108.5 | -72.3 | 0 | 0 | 0 | 113.7 | P1070 | P1070-H1072 PolarHBondContact O-N 3.35Š| ||
| 1073 | M | 29.7 | Very low | 31.2 | Very low | 190 Ų | 190 | 163.3 Ų | 163.3 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | -174.7 | 166.6 | 119.6 | -101.6 | -161.7 | 177 | 0 | 0 | 112.7 | |||||
| 1074 | R | 29.6 | Very low | 31 | Very low | 223 Ų | 223 | 160.8 Ų | 160.8 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | -94.4 | 154.5 | -153.2 | -57.5 | 176.4 | -171.8 | 166.8 | 3.1 | 114.3 | ||||
| 1075 | I | 26.1 | Very low | 31 | Very low | 150 Ų | 150 | 158.4 Ų | 158.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -47.9 | 136.9 | 157.5 | -59.8 | 157.1 | 0 | 0 | 0 | 110.9 | ||||
| 1076 | F | 30.8 | Very low | 31.1 | Very low | 201 Ų | 201 | 158.4 Ų | 158.4 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -145.5 | 155.8 | 145.7 | -101.9 | -77.2 | 0 | 0 | 0 | 109.6 | ||||
| 1077 | Q | 27.5 | Very low | 31.3 | Very low | 167 Ų | 167 | 155.8 Ų | 155.8 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -97.3 | 163 | -173.2 | -72.9 | 171.8 | -107.3 | 0 | 0 | 112.8 | ||||
| 1078 | F | 27.7 | Very low | 31.4 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | 2.9 | 127.3 | 155.2 | -76 | -96.3 | 0 | 0 | 0 | 118.4 | ||||
| 1079 | E | 31.7 | Very low | 31.5 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | -151.3 | 171.3 | 116.1 | -121.3 | 166.9 | -175.8 | 0 | 0 | 111.3 | |||||
| 1080 | N | 28.9 | Very low | 31.7 | Very low | 146 Ų | 146 | 154.2 Ų | 154.2 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | -85.2 | 149.7 | -171.2 | -53.9 | -72.9 | 0 | 0 | 0 | 112.2 | ||||
| 1081 | E | 34.7 | Very low | 31.6 | Very low | 194 Ų | 194 | 156 Ų | 156 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -163.1 | 177 | 132.1 | -117.4 | 173.8 | -153.3 | 0 | 0 | 114.5 | ||||
| 1082 | S | 33.5 | Very low | 31.8 | Very low | 109 Ų | 109 | 156.5 Ų | 156.5 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 154.6 | -150.8 | -54.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1083 | P | 33.6 | Very low | 31.8 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 146.4 | 174.4 | 34.6 | -34.7 | 0 | 0 | 0 | 113.4 | ||
| 1084 | C | 29.2 | Very low | 31.8 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 92% | 0.919 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 127 | 166.4 | -79.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1085 | T | 31.5 | Very low | 32 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 139.1 | -176.9 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1086 | I | 34.9 | Very low | 32.4 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -129.8 | 121.7 | 156.6 | -59.1 | -179 | 0 | 0 | 0 | 107.5 | ||||
| 1087 | P | 31.6 | Very low | 32.4 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -93 | 146.1 | -173.6 | 35.2 | -34 | 0 | 0 | 0 | 113.1 | ||||
| 1088 | I | 37.5 | Very low | 32.7 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 89% | 0.892 | 77% | 0.774 | S | S | * | * | trans | -131.5 | 122.3 | 150 | -62.3 | -177.1 | 0 | 0 | 0 | 106.9 | ||||
| 1089 | T | 34 | Very low | 32.9 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -94.4 | 176 | 178 | 40.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1090 | L | 32.8 | Very low | 33 | Very low | 165 Ų | 165 | 138 Ų | 138 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 76.8 | 126.2 | -178 | -48.8 | 171.8 | 0 | 0 | 0 | 112.8 | ||||
| 1091 | I | 36.3 | Very low | 33.2 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | cis | -128.9 | 129.4 | 6.8 | -65.1 | 177.4 | 0 | 0 | 0 | 109.8 | ||||
| 1092 | S | 31.4 | Very low | 33.3 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | -91.1 | 149.7 | 161.2 | 60.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1093 | N | 33.8 | Very low | 33.3 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | -156 | 144.6 | 71.3 | -92.5 | 16 | 0 | 0 | 0 | 108.4 | |||||
| 1094 | S | 31 | Very low | 33.4 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 57% | 0.566 | 76% | 0.764 | S | S | * | * | 56.3 | 142.1 | 82.5 | 89.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1095 | E | 34 | Very low | 33.8 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | cis | -145.1 | -174.1 | 33.3 | -135.5 | 116.1 | -102.6 | 0 | 0 | 114.8 | ||||
| 1096 | S | 34.3 | Very low | 33.9 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 53% | 0.531 | 76% | 0.764 | S | S | . | * | trans | -33.2 | 144.1 | 163.5 | 45 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1097 | N | 30.1 | Very low | 33.9 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | cis | 58.3 | 48.5 | 36 | -131.2 | 45.4 | 0 | 0 | 0 | 113.5 | ||||
| 1098 | Q | 34.4 | Very low | 34.1 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | trans | -146.3 | 120.3 | 165.2 | -128.9 | 168.4 | 1.2 | 0 | 0 | 112.5 | ||||
| 1099 | D | 32.4 | Very low | 34.2 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | 35.5 | 118.1 | 149.9 | -51.1 | -35 | 0 | 0 | 0 | 121.9 | ||||
| 1100 | L | 33.2 | Very low | 34.5 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -74.5 | 112.2 | 166.1 | 175.5 | 82 | 0 | 0 | 0 | 111.3 | ||||
| 1101 | S | 34 | Very low | 34.9 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -177.5 | 109.5 | 138.4 | 31.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1102 | T | 35.2 | Very low | 35.2 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | 50.9 | 122.4 | 135.8 | 52.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1103 | N | 35.1 | Very low | 35.6 | Very low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | 78.3 | 93.4 | 127.6 | -58.9 | -2.9 | 0 | 0 | 0 | 120.8 | Q1105 | N1103-Q1105 PolarHBondContact O-N 3.45Š| |||
| 1104 | T | 35.4 | Very low | 35.9 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -76.7 | 103.6 | 150.4 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1105 | Q | 36.3 | Very low | 36.2 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 39.9 | 101.4 | 145.3 | -59.1 | 178.8 | -6 | 0 | 0 | 119.5 | N1103 | N1103-Q1105 PolarHBondContact O-N 3.45Š| ||
| 1106 | L | 33.8 | Very low | 36.5 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -151 | 116.3 | 135.6 | -116.9 | 135 | 0 | 0 | 0 | 109.8 | ||||
| 1107 | M | 35 | Very low | 36.9 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 63.6 | 115.6 | 174.2 | -50.4 | -50.4 | -177.4 | 0 | 0 | 119.8 | ||
| 1108 | D | 35.6 | Very low | 37.3 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 32 | 122.6 | 141.5 | -57.7 | -27.6 | 0 | 0 | 0 | 122.5 | ||||
| 1109 | G | 39.3 | Very low | 37.4 | Very low | 83 Ų | 83 | 152.3 Ų | 152.3 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | 171 | 106.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1110 | K | 40.7 | Very low | 37.7 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -81.3 | 143.3 | -174.1 | -62.1 | 174.5 | 177.5 | 174.1 | 0 | 114.7 | ||||
| 1111 | H | 41 | Very low | 38 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | 62.4 | 145.4 | 157.5 | -46.8 | -49.7 | 0 | 0 | 0 | 118.2 | ||||
| 1112 | G | 42.6 | Very low | 38.2 | Very low | 69 Ų | 69 | 154.4 Ų | 154.4 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | cis | 159.5 | 153.5 | -13.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1113 | I | 41.3 | Very low | 38.4 | Very low | 150 Ų | 150 | 156.9 Ų | 156.9 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | 82.7 | 121.3 | 146.9 | -58.3 | 177.3 | 0 | 0 | 0 | 120.3 | ||||
| 1114 | Q | 39.2 | Very low | 38.7 | Very low | 162 Ų | 162 | 157.4 Ų | 157.4 | 76% | 0.757 | 83% | 0.828 | S | S | * | * | trans | 80.3 | 108.7 | 148.8 | -78.8 | 165.7 | -13.9 | 0 | 0 | 125.2 | ||||
| 1115 | N | 37 | Very low | 38.9 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 72% | 0.717 | 83% | 0.828 | S | S | * | * | 83.3 | 141.4 | 113.1 | -73.3 | 23.6 | 0 | 0 | 0 | 125.7 | |||||
| 1116 | E | 40 | Very low | 39.1 | Very low | 176 Ų | 176 | 157.9 Ų | 157.9 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | 66 | 84.9 | 147.9 | -70.9 | -179.7 | 141.1 | 0 | 0 | 121 | ||||
| 1117 | K | 43.9 | Very low | 39.6 | Very low | 281 Ų | 281 | 157.9 Ų | 157.9 | 100% | 1.222 | 83% | 0.829 | S | S | * | * | -165.8 | 0 | 94 | -109 | 178.4 | -179 | 175.1 | 0 | 114.1 |
Retrieved 1,117 of 1,117 residues in 348 ms
(Link to these results)