| 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 | 57.3 | Low | 88.8 | Confident | 158 Ų | 158 | 51.5 Ų | 51.5 | 78% | 0.778 | 31% | 0.305 | S | S | * | . | 0 | 136.2 | 0 | -69.6 | -179.5 | 176.2 | 0 | 0 | 107.7 | P57 K60 | M1-P57 HydrophobicContact SD-CG 3.68Å; M1-K60 HydrophobicContact CE-CD 4.48Å | |||
| 2 | S | 79.8 | Confident | 89.4 | Confident | 122 Ų | 122 | 56 Ų | 56 | 85% | 0.853 | 32% | 0.318 | S | S | * | . | trans | -95.9 | 143.3 | 171.3 | -57.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | H | 86.7 | Confident | 89.8 | Confident | 30 Ų | 30 | 56 Ų | 56 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | trans | -118.3 | 136.6 | 176.6 | -65.5 | -78.8 | 0 | 0 | 0 | 110.2 | D7 V23 L37 | H3-D7 WeakPolarHBondContact CA-OD2 3.49Å; H3-D7 IonicContact ND1-OD2 2.69Å; H3-V23 HydrophobicContact CB-CG2 4.08Å; H3-L37 HydrophobicContact CB-CD1 3.86Å | ||
| 4 | S | 89.5 | Confident | 90.1 | Very high | 62 Ų | 62 | 67.3 Ų | 67.3 | 43% | 0.434 | 36% | 0.359 | S | S | . | . | trans | -96.6 | 158.1 | 177.3 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | G6 D7 V23 | S4-G6 PolarHBondContact O-N 3.01Å; S4-D7 WeakPolarHBondContact CB-OD1 3.35Å; S4-D7 VanDerWaalsContact N-CG 3.26Å; S4-D7 PolarHBondContact N-OD2 3.46Å; S4-D7 VanDerWaalsContact O-CB 3.31Å; S4-D7 WeakPolarHBondContact O-CB 3.21Å; S4-D7 VanDerWaalsContact O-CG 3.23Å; S4-D7 PolarHBondContact O-N 2.82Å; S4-V23 WeakPolarHBondContact O-CB 3.3Å | ||
| 5 | P | 90.6 | Very high | 90.2 | Very high | 48 Ų | 48 | 68.2 Ų | 68.2 | 31% | 0.312 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 135 | 165.3 | -18.6 | 32 | 0 | 0 | 0 | 110.5 | P25 Y121 | P5-P25 HydrophobicContact CB-CB 3.97Å; P5-Y121 HydrophobicContact CG-CE1 4.15Å; P5-Y121 HydrophobicContact CG-CE2 4.47Å |
| 6 | G | 92.4 | Very high | 90.3 | Very high | 25 Ų | 25 | 71.5 Ų | 71.5 | 26% | 0.258 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | -25 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | S4 K8 V23 | S4-G6 PolarHBondContact O-N 3.01Å; G6-K8 PolarHBondContact O-N 3.09Å; G6-V23 PolarHBondContact N-O 3.31Å |
| 7 | D | 95.1 | Very high | 90.4 | Very high | 53 Ų | 53 | 70.8 Ų | 70.8 | 28% | 0.283 | 40% | 0.399 | S | S | . | . | trans | -55.1 | 125.8 | -175.2 | -77.1 | 11.4 | 0 | 0 | 0 | 112.7 | H3 S4 V9 R22 V23 | H3-D7 WeakPolarHBondContact CA-OD2 3.49Å; H3-D7 IonicContact ND1-OD2 2.69Å; S4-D7 WeakPolarHBondContact CB-OD1 3.35Å; S4-D7 VanDerWaalsContact N-CG 3.26Å; S4-D7 PolarHBondContact N-OD2 3.46Å; S4-D7 VanDerWaalsContact O-CB 3.31Å; S4-D7 WeakPolarHBondContact O-CB 3.21Å; S4-D7 VanDerWaalsContact O-CG 3.23Å; S4-D7 PolarHBondContact O-N 2.82Å; D7-V9 HydrophobicContact CB-CG1 4.28Å; D7-R22 CarbonylContact O-C 3.42Å; D7-R22 WeakPolarHBondContact O-CA 3.48Å; D7-V23 HydrophobicContact CB-CB 4.5Å; D7-V23 HydrophobicContact CB-CG2 4.15Å; D7-V23 PolarHBondContact O-N 3.17Å | ||
| 8 | K | 95.7 | Very high | 90.6 | Very high | 69 Ų | 69 | 68.2 Ų | 68.2 | 30% | 0.3 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 126.7 | 166.7 | -73.8 | -175.4 | -80.5 | 163.3 | 0 | 110.1 | G6 Y58 E59 I81 | G6-K8 PolarHBondContact O-N 3.09Å; K8-Y58 VanDerWaalsContact C-CB 3.48Å; K8-Y58 HydrophobicContact CB-CD1 4.42Å; K8-Y58 HydrophobicContact CB-CG 4.29Å; K8-Y58 HydrophobicContact CD-CD1 4.49Å; K8-Y58 WeakPolarHBondContact O-CB 3.34Å; K8-Y58 PolarHBondContact O-N 3.23Å; K8-E59 WeakPolarHBondContact CE-OE1 3.28Å; K8-E59 IonicContact NZ-OE1 2.61Å; K8-E59 PolarHBondContact NZ-OE1 2.65Å; K8-I81 HydrophobicContact CB-CD1 4.17Å; K8-I81 HydrophobicContact CD-CD1 4.26Å; K8-I81 HydrophobicContact CD-CG1 3.72Å; K8-I81 HydrophobicContact CG-CD1 4.1Å; K8-I81 HydrophobicContact CG-CG1 3.95Å |
| 9 | V | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153.6 | -175.4 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | D7 A21 V23 I39 I55 V56 | D7-V9 HydrophobicContact CB-CG1 4.28Å; V9-A21 HydrophobicContact CG2-CB 4.09Å; V9-A21 PolarHBondContact N-O 3.08Å; V9-A21 CarbonylContact O-C 3.39Å; V9-A21 WeakPolarHBondContact O-CA 3.33Å; V9-A21 PolarHBondContact O-N 3.46Å; V9-V23 HydrophobicContact CG1-CG2 4.27Å; V9-V23 HydrophobicContact CG2-CG2 4.36Å; V9-I39 HydrophobicContact CG2-CD1 4.12Å; V9-I55 HydrophobicContact CB-CG2 3.79Å; V9-I55 HydrophobicContact CG1-CG2 3.68Å; V9-I55 HydrophobicContact CG2-CG2 3.96Å; V9-V56 CarbonylContact C-O 3.51Å; V9-V56 VanDerWaalsContact CA-O 3.31Å; V9-V56 WeakPolarHBondContact CA-O 3.44Å; V9-V56 WeakPolarHBondContact CB-O 3.34Å |
| 10 | F | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 135.4 | 152.4 | -75.1 | -79.8 | 0 | 0 | 0 | 108.8 | N18 W19 P20 V56 Y58 F61 W65 M78 | F10-N18 HydrophobicContact CB-CB 4.25Å; F10-N18 HydrophobicContact CD1-CB 4.44Å; F10-W19 WeakPolarHBondContact CA-O 3.31Å; F10-P20 HydrophobicContact CE1-CG 4.08Å; F10-V56 HydrophobicContact CB-CG2 4.18Å; F10-V56 PolarHBondContact N-O 2.84Å; F10-V56 WeakPolarHBondContact O-CG2 3.25Å; F10-V56 PolarHBondContact O-N 3.05Å; F10-Y58 AromaticContact CD2-CD2 3.74Å; F10-Y58 HydrophobicContact CD2-CD2 3.74Å; F10-Y58 HydrophobicContact CD2-CE2 4.46Å; F10-Y58 HydrophobicContact CD2-CG 4.48Å; F10-Y58 HydrophobicContact CE1-CD2 4.12Å; F10-Y58 HydrophobicContact CE1-CE2 4.01Å; F10-Y58 AromaticContact CE2-CD2 3.26Å; F10-Y58 HydrophobicContact CE2-CD2 3.26Å; F10-Y58 AromaticContact CE2-CE2 3.62Å; F10-Y58 HydrophobicContact CE2-CE2 3.62Å; F10-Y58 HydrophobicContact CE2-CG 4.1Å; F10-Y58 HydrophobicContact CG-CD2 4.34Å; F10-Y58 AromaticContact CZ-CD2 3.49Å; F10-Y58 HydrophobicContact CZ-CD2 3.49Å; F10-Y58 VanDerWaalsContact CZ-CD2 3.49Å; F10-Y58 AromaticContact CZ-CE2 3.35Å; F10-Y58 HydrophobicContact CZ-CE2 3.35Å; F10-F61 HydrophobicContact CD2-CB 4.12Å; F10-F61 HydrophobicContact CE2-CB 4.43Å; F10-W65 HydrophobicContact CB-CE3 3.75Å; F10-W65 HydrophobicContact CB-CZ3 4.13Å; F10-W65 HydrophobicContact CD1-CB 4.1Å; F10-W65 HydrophobicContact CD1-CE3 4.46Å; F10-W65 AromaticContact CD2-CE3 3.8Å; F10-W65 HydrophobicContact CD2-CE3 3.8Å; F10-W65 HydrophobicContact CD2-CZ3 4.48Å; F10-W65 HydrophobicContact CE1-CB 3.94Å; F10-W65 HydrophobicContact CE2-CB 4.46Å; F10-W65 HydrophobicContact CG-CB 4.43Å; F10-W65 AromaticContact CG-CE3 3.76Å; F10-W65 HydrophobicContact CG-CE3 3.76Å; F10-W65 HydrophobicContact CZ-CB 4.13Å; F10-M78 HydrophobicContact CE1-SD 4.17Å; F10-M78 HydrophobicContact CZ-SD 4.14Å |
| 11 | A | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | W19 A21 I39 F41 | A11-W19 PolarHBondContact N-O 3.33Å; A11-W19 PolarHBondContact O-N 3.31Å; A11-A21 HydrophobicContact CB-CB 3.97Å; A11-I39 HydrophobicContact CB-CG1 4.5Å; A11-I39 HydrophobicContact CB-CG2 3.86Å; A11-F41 HydrophobicContact CB-CE1 3.75Å; A11-F41 HydrophobicContact CB-CZ 4.36Å |
| 12 | K | 95.8 | Very high | 93.3 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 46% | 0.457 | 30% | 0.297 | S | S | . | . | trans | -114.2 | 125.6 | -176.7 | -163.9 | -179.1 | -177 | 178.9 | 0 | 112.4 | N18 N54 | K12-N18 WeakPolarHBondContact CB-OD1 3.34Å; K12-N18 WeakPolarHBondContact CD-OD1 3.28Å; K12-N18 WeakPolarHBondContact CG-OD1 3.39Å; K12-N54 HydrophobicContact CB-CB 4.12Å; K12-N54 PolarHBondContact N-O 2.92Å; K12-N54 WeakPolarHBondContact O-CB 3.37Å; K12-N54 PolarHBondContact O-ND2 3.45Å | ||
| 13 | I | 94.7 | Very high | 94.1 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | trans | -119.5 | 157.4 | 172.6 | 59.7 | 177.3 | 0 | 0 | 0 | 110.8 | G15 F16 F41 V50 | I13-G15 PolarHBondContact O-N 3.41Å; I13-F16 HydrophobicContact CD1-CB 4.4Å; I13-F16 HydrophobicContact CD1-CD2 3.8Å; I13-F16 HydrophobicContact CD1-CE2 4.33Å; I13-F16 HydrophobicContact CD1-CG 4.14Å; I13-F16 HydrophobicContact CG1-CB 3.78Å; I13-F16 HydrophobicContact CG1-CD2 3.74Å; I13-F16 HydrophobicContact CG1-CG 4Å; I13-F16 PolarHBondContact O-N 3.43Å; I13-F41 HydrophobicContact CD1-CZ 4.3Å; I13-F41 HydrophobicContact CG2-CZ 3.83Å; I13-V50 HydrophobicContact CG2-CG2 3.93Å | ||
| 14 | K | 93.4 | Very high | 94.4 | Very high | 214 Ų | 214 | 45.2 Ų | 45.2 | 93% | 0.93 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 126 | -176.8 | -173.7 | -176.9 | 178.4 | -174.1 | 0 | 109.5 | ||
| 15 | G | 92.1 | Very high | 94.3 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 84% | 0.835 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -8.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | I13 | I13-G15 PolarHBondContact O-N 3.41Š|
| 16 | F | 91.7 | Very high | 94 | Very high | 121 Ų | 121 | 41.2 Ų | 41.2 | 53% | 0.531 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -119.4 | 154.5 | -176.8 | -67.2 | -96.7 | 0 | 0 | 0 | 112.2 | I13 | I13-F16 HydrophobicContact CD1-CB 4.4Å; I13-F16 HydrophobicContact CD1-CD2 3.8Å; I13-F16 HydrophobicContact CD1-CE2 4.33Å; I13-F16 HydrophobicContact CD1-CG 4.14Å; I13-F16 HydrophobicContact CG1-CB 3.78Å; I13-F16 HydrophobicContact CG1-CD2 3.74Å; I13-F16 HydrophobicContact CG1-CG 4Å; I13-F16 PolarHBondContact O-N 3.43Å |
| 17 | P | 93 | Very high | 93.4 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | trans | -64.8 | 170 | 168.1 | 30.5 | -36.4 | 0 | 0 | 0 | 111.2 | W19 | P17-W19 HydrophobicContact CG-CE3 4.33Å; P17-W19 PolarHBondContact O-N 3.3Å | ||
| 18 | N | 94.1 | Very high | 92.3 | Very high | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | trans | -61.7 | 123.2 | 167.3 | -54 | -47.1 | 0 | 0 | 0 | 108.8 | F10 K12 W65 | F10-N18 HydrophobicContact CB-CB 4.25Å; F10-N18 HydrophobicContact CD1-CB 4.44Å; K12-N18 WeakPolarHBondContact CB-OD1 3.34Å; K12-N18 WeakPolarHBondContact CD-OD1 3.28Å; K12-N18 WeakPolarHBondContact CG-OD1 3.39Å; N18-W65 HydrophobicContact CB-CB 4.38Å; N18-W65 HydrophobicContact CB-CD2 3.93Å; N18-W65 HydrophobicContact CB-CE3 4.11Å; N18-W65 HydrophobicContact CB-CG 4.02Å; N18-W65 VanDerWaalsContact ND2-CD2 3.3Å; N18-W65 PolarHBondContact ND2-NE1 3.16Å | ||
| 19 | W | 96 | Very high | 91.5 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 10% | 0.102 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144.2 | -171.1 | -161.9 | -86.4 | 0 | 0 | 0 | 111.4 | F10 A11 P17 A21 F41 Y42 T44 Q73 F74 A77 | F10-W19 WeakPolarHBondContact CA-O 3.31Å; A11-W19 PolarHBondContact N-O 3.33Å; A11-W19 PolarHBondContact O-N 3.31Å; P17-W19 HydrophobicContact CG-CE3 4.33Å; P17-W19 PolarHBondContact O-N 3.3Å; W19-A21 PolarHBondContact O-N 2.77Å; W19-F41 HydrophobicContact CB-CD1 4.05Å; W19-F41 HydrophobicContact CB-CE1 4.34Å; W19-F41 AromaticContact CD1-CD1 3.88Å; W19-F41 HydrophobicContact CG-CD1 4.23Å; W19-Y42 PolarHBondContact NE1-O 3.44Å; W19-T44 HydrophobicContact CZ2-CG2 3.84Å; W19-Q73 HydrophobicContact CH2-CB 4.01Å; W19-Q73 HydrophobicContact CZ2-CB 4.18Å; W19-Q73 WeakPolarHBondContact CZ2-O 3.49Å; W19-F74 HydrophobicContact CD2-CD2 4.16Å; W19-F74 AromaticContact CE3-CD2 3.75Å; W19-F74 HydrophobicContact CE3-CD2 3.75Å; W19-F74 HydrophobicContact CE3-CE2 4.45Å; W19-F74 HydrophobicContact CH2-CB 3.84Å; W19-F74 HydrophobicContact CH2-CD2 4.25Å; W19-F74 HydrophobicContact CZ2-CB 4.43Å; W19-F74 HydrophobicContact CZ3-CB 4.04Å; W19-F74 AromaticContact CZ3-CD2 3.8Å; W19-F74 HydrophobicContact CZ3-CD2 3.8Å; W19-F74 HydrophobicContact CZ3-CG 4.44Å; W19-A77 HydrophobicContact CZ2-CB 4.04Å |
| 20 | P | 96.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 129.1 | 176.3 | -22 | 34 | 0 | 0 | 0 | 111.8 | F10 Y42 Y58 F74 A77 M78 I81 | F10-P20 HydrophobicContact CE1-CG 4.08Å; P20-Y42 HydrophobicContact CB-CD2 4.49Å; P20-Y42 PolarHBondContact O-N 2.84Å; P20-Y42 VanDerWaalsContact O-N 3.15Å; P20-Y58 HydrophobicContact CB-CE2 4.39Å; P20-F74 HydrophobicContact CG-CE2 4.32Å; P20-F74 HydrophobicContact CG-CZ 4.46Å; P20-A77 HydrophobicContact CB-CB 4.3Å; P20-A77 HydrophobicContact CG-CB 4.04Å; P20-M78 HydrophobicContact CB-SD 4.46Å; P20-M78 HydrophobicContact CG-CG 3.88Å; P20-M78 HydrophobicContact CG-SD 3.52Å; P20-M78 VanDerWaalsContact CG-SD 3.52Å; P20-I81 HydrophobicContact CB-CB 4.38Å; P20-I81 HydrophobicContact CB-CD1 4.04Å; P20-I81 HydrophobicContact CB-CG2 4.08Å |
| 21 | A | 97.1 | Very high | 90 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 170 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V9 A11 W19 I39 F40 F41 Y42 I81 | V9-A21 HydrophobicContact CG2-CB 4.09Å; V9-A21 PolarHBondContact N-O 3.08Å; V9-A21 CarbonylContact O-C 3.39Å; V9-A21 WeakPolarHBondContact O-CA 3.33Å; V9-A21 PolarHBondContact O-N 3.46Å; A11-A21 HydrophobicContact CB-CB 3.97Å; W19-A21 PolarHBondContact O-N 2.77Å; A21-I39 HydrophobicContact CB-CG2 3.66Å; A21-F40 CarbonylContact C-O 3.39Å; A21-F40 WeakPolarHBondContact CA-O 3.47Å; A21-F40 WeakPolarHBondContact CB-O 3.22Å; A21-F41 HydrophobicContact CB-CD1 3.95Å; A21-F41 HydrophobicContact CB-CE1 4.4Å; A21-Y42 VanDerWaalsContact C-CE2 3.41Å; A21-I81 WeakPolarHBondContact O-CD1 3.28Å |
| 22 | R | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 155.1 | 164.6 | 64.5 | 166.2 | -173.5 | -95.7 | -11.6 | 111.7 | D7 N24 I39 F40 Y42 P85 I87 Y88 | D7-R22 CarbonylContact O-C 3.42Å; D7-R22 WeakPolarHBondContact O-CA 3.48Å; R22-N24 PolarHBondContact NH2-OD1 3.48Å; R22-N24 PolarHBondContact O-N 3.16Å; R22-I39 WeakPolarHBondContact O-CA 3.44Å; R22-F40 HydrophobicContact CG-CB 4.03Å; R22-F40 HydrophobicContact CG-CD1 4.1Å; R22-F40 HydrophobicContact CG-CG 4.44Å; R22-F40 PolarHBondContact N-O 3.23Å; R22-F40 PolarHBondContact O-N 3.07Å; R22-Y42 HydrophobicContact CB-CE2 4.08Å; R22-Y42 WeakPolarHBondContact CD-OH 3.33Å; R22-Y42 HydrophobicContact CG-CE2 4.22Å; R22-P85 PolarHBondContact NH1-O 3Å; R22-I87 PolarHBondContact NH1-O 3Å; R22-I87 PolarHBondContact NH2-O 2.92Å; R22-Y88 PolarHBondContact NH2-O 2.69Å; R22-Y88 VanDerWaalsContact NH2-O 3.13Å |
| 23 | V | 95.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 119.8 | 164.8 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | H3 S4 G6 D7 V9 L37 P38 I39 | H3-V23 HydrophobicContact CB-CG2 4.08Å; S4-V23 WeakPolarHBondContact O-CB 3.3Å; G6-V23 PolarHBondContact N-O 3.31Å; D7-V23 HydrophobicContact CB-CB 4.5Å; D7-V23 HydrophobicContact CB-CG2 4.15Å; D7-V23 PolarHBondContact O-N 3.17Å; V9-V23 HydrophobicContact CG1-CG2 4.27Å; V9-V23 HydrophobicContact CG2-CG2 4.36Å; V23-L37 HydrophobicContact CG1-CB 4.43Å; V23-L37 HydrophobicContact CG2-CD1 4.35Å; V23-P38 WeakPolarHBondContact CA-O 3.45Å; V23-I39 HydrophobicContact CB-CD1 4.41Å; V23-I39 HydrophobicContact CG2-CD1 3.87Å |
| 24 | N | 92 | Very high | 88.9 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.011 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 125.8 | -170.4 | -163.4 | 67.1 | 0 | 0 | 0 | 111.6 | R22 L26 P38 F40 L100 | R22-N24 PolarHBondContact NH2-OD1 3.48Å; R22-N24 PolarHBondContact O-N 3.16Å; N24-L26 WeakPolarHBondContact ND2-CD2 3.39Å; N24-L26 PolarHBondContact O-N 2.94Å; N24-P38 PolarHBondContact N-O 2.91Å; N24-P38 WeakPolarHBondContact O-CG 3.33Å; N24-F40 HydrophobicContact CB-CB 4.19Å; N24-L100 VanDerWaalsContact ND2-CD2 3.32Å; N24-L100 WeakPolarHBondContact ND2-CD2 3.4Å |
| 25 | P | 88.6 | Confident | 88.8 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 8% | 0.078 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 122.4 | 171.2 | 26.3 | -31.9 | 0 | 0 | 0 | 110.1 | P5 M89 L90 | P5-P25 HydrophobicContact CB-CB 3.97Å; P25-M89 HydrophobicContact CG-CG 3.57Å; P25-M89 HydrophobicContact CG-SD 4.02Å; P25-L90 HydrophobicContact CG-CB 4.32Å |
| 26 | L | 84.2 | Confident | 88.9 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | trans | -123.4 | 144.9 | 176.5 | -65.4 | -178 | 0 | 0 | 0 | 110.3 | N24 V30 P38 F49 L100 Y104 Y117 | N24-L26 WeakPolarHBondContact ND2-CD2 3.39Å; N24-L26 PolarHBondContact O-N 2.94Å; L26-V30 HydrophobicContact CB-CB 4.35Å; L26-V30 HydrophobicContact CD1-CG1 4.06Å; L26-P38 HydrophobicContact CD1-CB 3.39Å; L26-P38 HydrophobicContact CD1-CG 3.85Å; L26-P38 HydrophobicContact CG-CB 4.03Å; L26-P38 HydrophobicContact CG-CG 4.18Å; L26-F49 HydrophobicContact CD1-CE1 4.49Å; L26-L100 HydrophobicContact CD2-CD1 4.33Å; L26-L100 HydrophobicContact CD2-CD2 4.33Å; L26-Y104 HydrophobicContact CD1-CD1 4.05Å; L26-Y104 HydrophobicContact CD1-CD2 4.4Å; L26-Y104 HydrophobicContact CD1-CE1 3.62Å; L26-Y104 HydrophobicContact CD1-CE2 4.02Å; L26-Y104 HydrophobicContact CD1-CG 4.41Å; L26-Y104 HydrophobicContact CD2-CD2 3.69Å; L26-Y104 HydrophobicContact CD2-CE2 3.57Å; L26-Y104 HydrophobicContact CD2-CG 4.26Å; L26-Y104 HydrophobicContact CG-CE2 4.45Å; L26-Y117 VanDerWaalsContact C-OH 3.27Å; L26-Y117 PolarHBondContact O-OH 3.28Å | ||
| 27 | P | 78.7 | Confident | 89 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 7% | 0.071 | 28% | 0.275 | C | S | . | . | trans | -50.3 | 145 | 173.5 | -28.9 | 37.2 | 0 | 0 | 0 | 113.1 | D29 V30 L90 F106 I109 Y117 | P27-D29 PolarHBondContact O-N 3.45Å; P27-D29 VanDerWaalsContact O-N 3.1Å; P27-V30 HydrophobicContact CB-CG2 4.34Å; P27-V30 WeakPolarHBondContact O-CB 3.45Å; P27-V30 PolarHBondContact O-N 2.86Å; P27-L90 HydrophobicContact CG-CD2 4.07Å; P27-F106 HydrophobicContact CG-CD2 3.73Å; P27-F106 HydrophobicContact CG-CE2 4.08Å; P27-F106 HydrophobicContact CG-CG 4.12Å; P27-I109 HydrophobicContact CB-CD1 4.47Å; P27-I109 HydrophobicContact CG-CD1 3.96Å; P27-Y117 WeakPolarHBondContact CA-OH 3.45Å | ||
| 28 | H | 73.1 | Confident | 89.1 | Confident | 121 Ų | 121 | 50.3 Ų | 50.3 | 56% | 0.56 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.9 | 176.3 | -68.4 | -66.5 | 0 | 0 | 0 | 113.7 | V30 Y117 | H28-V30 PolarHBondContact O-N 3.48Å; H28-Y117 PolarHBondContact N-OH 2.89Å |
| 29 | D | 78 | Confident | 89.2 | Confident | 108 Ų | 108 | 49.1 Ų | 49.1 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.6 | 172.8 | -73 | 17.6 | 0 | 0 | 0 | 113.2 | P27 Q31 | P27-D29 PolarHBondContact O-N 3.45Å; P27-D29 VanDerWaalsContact O-N 3.1Å; D29-Q31 PolarHBondContact O-N 3.35Å |
| 30 | V | 80.4 | Confident | 89.2 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -83.4 | 111.3 | -176.2 | -175 | 0 | 0 | 0 | 0 | 110.7 | L26 P27 H28 I32 Y104 F106 | L26-V30 HydrophobicContact CB-CB 4.35Å; L26-V30 HydrophobicContact CD1-CG1 4.06Å; P27-V30 HydrophobicContact CB-CG2 4.34Å; P27-V30 WeakPolarHBondContact O-CB 3.45Å; P27-V30 PolarHBondContact O-N 2.86Å; H28-V30 PolarHBondContact O-N 3.48Å; V30-I32 PolarHBondContact O-N 2.74Å; V30-Y104 HydrophobicContact CG1-CD1 3.79Å; V30-Y104 HydrophobicContact CG1-CE1 4.49Å; V30-Y104 HydrophobicContact CG1-CG 4.32Å; V30-F106 HydrophobicContact CG2-CB 3.84Å; V30-F106 HydrophobicContact CG2-CD1 4.28Å; V30-F106 HydrophobicContact CG2-CG 4.32Å |
| 31 | Q | 82.4 | Confident | 89.2 | Confident | 182 Ų | 182 | 48.3 Ų | 48.3 | 85% | 0.85 | 25% | 0.249 | S | C | * | . | trans | -69.3 | 102.3 | -178.7 | -61.7 | -175.5 | 21.3 | 0 | 0 | 112.4 | D29 | D29-Q31 PolarHBondContact O-N 3.35Š| ||
| 32 | I | 87.5 | Confident | 89.2 | Confident | 80 Ų | 80 | 48.3 Ų | 48.3 | 41% | 0.41 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -79.2 | 127.3 | 174.8 | -57.1 | 168.4 | 0 | 0 | 0 | 109.8 | V30 K34 K36 P38 F49 | V30-I32 PolarHBondContact O-N 2.74Å; I32-K34 PolarHBondContact O-N 2.79Å; I32-K36 WeakPolarHBondContact CG2-O 3.35Å; I32-P38 HydrophobicContact CD1-CG 4.11Å; I32-F49 HydrophobicContact CB-CE1 4.36Å; I32-F49 HydrophobicContact CG1-CE1 4.2Å; I32-F49 HydrophobicContact CG2-CD1 4.18Å; I32-F49 HydrophobicContact CG2-CE1 4.12Å |
| 33 | P | 89.3 | Confident | 89.1 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 133.8 | 176.2 | -22.8 | 33.7 | 0 | 0 | 0 | 112.7 | G35 K36 F49 | P33-G35 PolarHBondContact O-N 3.21Å; P33-K36 HydrophobicContact CB-CD 4.22Å; P33-K36 WeakPolarHBondContact O-CB 3.42Å; P33-K36 PolarHBondContact O-N 3.39Å; P33-K36 VanDerWaalsContact O-N 3.11Å; P33-F49 HydrophobicContact CG-CB 4.47Å; P33-F49 HydrophobicContact CG-CD2 4.09Å; P33-F49 HydrophobicContact CG-CE2 4.43Å; P33-F49 HydrophobicContact CG-CG 4.13Å |
| 34 | K | 87.7 | Confident | 88.9 | Confident | 212 Ų | 212 | 51.1 Ų | 51.1 | 92% | 0.922 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 134.8 | -179.9 | -64.5 | -171.5 | 177.8 | -171.9 | 0 | 112 | I32 K36 | I32-K34 PolarHBondContact O-N 2.79Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 3.45Å |
| 35 | G | 90.6 | Very high | 89.1 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 52% | 0.515 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 12 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P33 S51 V52 | P33-G35 PolarHBondContact O-N 3.21Å; G35-S51 WeakPolarHBondContact O-CA 3.48Å; G35-S51 PolarHBondContact O-OG 2.94Å; G35-V52 PolarHBondContact O-N 3.49Å |
| 36 | K | 93.7 | Very high | 89.4 | Confident | 94 Ų | 94 | 60.4 Ų | 60.4 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 157.3 | 174.7 | -55.2 | -170.4 | 179.2 | -173.9 | 0 | 111.5 | I32 P33 K34 F49 V50 | I32-K36 WeakPolarHBondContact CG2-O 3.35Å; P33-K36 HydrophobicContact CB-CD 4.22Å; P33-K36 WeakPolarHBondContact O-CB 3.42Å; P33-K36 PolarHBondContact O-N 3.39Å; P33-K36 VanDerWaalsContact O-N 3.11Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 3.45Å; K36-F49 HydrophobicContact CB-CB 4.14Å; K36-F49 HydrophobicContact CD-CB 3.86Å; K36-V50 CarbonylContact C-O 3.59Å; K36-V50 WeakPolarHBondContact CA-O 3.41Å; K36-V50 WeakPolarHBondContact CB-O 3.24Å |
| 37 | L | 93.8 | Very high | 89.8 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 147.8 | 171.3 | -66.1 | 172.7 | 0 | 0 | 0 | 109.8 | H3 V23 I39 F49 V50 V52 I55 | H3-L37 HydrophobicContact CB-CD1 3.86Å; V23-L37 HydrophobicContact CG1-CB 4.43Å; V23-L37 HydrophobicContact CG2-CD1 4.35Å; L37-I39 HydrophobicContact CB-CD1 4.41Å; L37-I39 PolarHBondContact O-N 3.39Å; L37-F49 WeakPolarHBondContact O-CA 3.44Å; L37-V50 PolarHBondContact N-O 3.1Å; L37-V50 PolarHBondContact O-N 3.42Å; L37-V52 HydrophobicContact CD1-CG2 4.27Å; L37-V52 HydrophobicContact CG-CG2 4.16Å; L37-I55 HydrophobicContact CB-CD1 3.84Å; L37-I55 HydrophobicContact CD1-CD1 3.9Å; L37-I55 HydrophobicContact CG-CD1 4.25Å |
| 38 | P | 95 | Very high | 90.6 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 122.8 | 168.2 | 30.5 | -33.5 | 0 | 0 | 0 | 109.6 | V23 N24 L26 I32 F49 | V23-P38 WeakPolarHBondContact CA-O 3.45Å; N24-P38 PolarHBondContact N-O 2.91Å; N24-P38 WeakPolarHBondContact O-CG 3.33Å; L26-P38 HydrophobicContact CD1-CB 3.39Å; L26-P38 HydrophobicContact CD1-CG 3.85Å; L26-P38 HydrophobicContact CG-CB 4.03Å; L26-P38 HydrophobicContact CG-CG 4.18Å; I32-P38 HydrophobicContact CD1-CG 4.11Å; P38-F49 HydrophobicContact CB-CD1 4.24Å; P38-F49 HydrophobicContact CB-CE1 4.06Å |
| 39 | I | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.6 | -178.2 | -65.3 | -54 | 0 | 0 | 0 | 109.8 | V9 A11 A21 R22 V23 L37 F41 V47 S48 V50 I55 | V9-I39 HydrophobicContact CG2-CD1 4.12Å; A11-I39 HydrophobicContact CB-CG1 4.5Å; A11-I39 HydrophobicContact CB-CG2 3.86Å; A21-I39 HydrophobicContact CB-CG2 3.66Å; R22-I39 WeakPolarHBondContact O-CA 3.44Å; V23-I39 HydrophobicContact CB-CD1 4.41Å; V23-I39 HydrophobicContact CG2-CD1 3.87Å; L37-I39 HydrophobicContact CB-CD1 4.41Å; L37-I39 PolarHBondContact O-N 3.39Å; I39-F41 HydrophobicContact CG2-CD1 4.27Å; I39-F41 HydrophobicContact CG2-CE1 3.99Å; I39-F41 HydrophobicContact CG2-CE2 4.25Å; I39-F41 HydrophobicContact CG2-CZ 3.97Å; I39-V47 CarbonylContact O-C 3.5Å; I39-V47 WeakPolarHBondContact O-CA 3.4Å; I39-S48 PolarHBondContact N-O 3.11Å; I39-S48 PolarHBondContact O-N 3.47Å; I39-V50 HydrophobicContact CB-CB 4.47Å; I39-V50 HydrophobicContact CB-CG2 3.89Å; I39-V50 HydrophobicContact CG1-CB 3.78Å; I39-V50 HydrophobicContact CG1-CG2 3.75Å; I39-V50 HydrophobicContact CG2-CG2 4.37Å; I39-I55 HydrophobicContact CD1-CD1 3.8Å; I39-I55 HydrophobicContact CD1-CG1 4.26Å; I39-I55 HydrophobicContact CG1-CD1 3.94Å; I39-I55 HydrophobicContact CG1-CG1 4.36Å |
| 40 | F | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131 | 167.5 | 171.7 | -83.1 | 0 | 0 | 0 | 109.2 | A21 R22 N24 Y42 Y45 V47 I87 Y88 F99 | A21-F40 CarbonylContact C-O 3.39Å; A21-F40 WeakPolarHBondContact CA-O 3.47Å; A21-F40 WeakPolarHBondContact CB-O 3.22Å; R22-F40 HydrophobicContact CG-CB 4.03Å; R22-F40 HydrophobicContact CG-CD1 4.1Å; R22-F40 HydrophobicContact CG-CG 4.44Å; R22-F40 PolarHBondContact N-O 3.23Å; R22-F40 PolarHBondContact O-N 3.07Å; N24-F40 HydrophobicContact CB-CB 4.19Å; F40-Y42 HydrophobicContact CD1-CD1 4.32Å; F40-Y42 HydrophobicContact CD1-CE1 4.33Å; F40-Y42 HydrophobicContact CD1-CG 4.49Å; F40-Y42 AromaticContact CE1-CD1 3.71Å; F40-Y42 HydrophobicContact CE1-CD1 3.71Å; F40-Y42 AromaticContact CE1-CE1 3.89Å; F40-Y42 HydrophobicContact CE1-CE1 3.89Å; F40-Y42 HydrophobicContact CE1-CG 4.17Å; F40-Y45 HydrophobicContact CE2-CD1 4.49Å; F40-Y45 AromaticContact CZ-CD1 3.9Å; F40-Y45 HydrophobicContact CZ-CD1 3.9Å; F40-V47 HydrophobicContact CB-CG1 4.1Å; F40-V47 HydrophobicContact CD2-CG1 3.83Å; F40-V47 HydrophobicContact CG-CG1 4.41Å; F40-I87 HydrophobicContact CE1-CG2 4.23Å; F40-I87 HydrophobicContact CZ-CG2 4.13Å; F40-Y88 HydrophobicContact CE2-CD2 4.08Å; F40-Y88 HydrophobicContact CZ-CD2 4.11Å; F40-F99 AromaticContact CD2-CE1 3.89Å; F40-F99 HydrophobicContact CD2-CE1 3.89Å; F40-F99 HydrophobicContact CD2-CZ 4.14Å; F40-F99 AromaticContact CE2-CE1 3.71Å; F40-F99 HydrophobicContact CE2-CE1 3.71Å; F40-F99 AromaticContact CE2-CZ 3.73Å; F40-F99 HydrophobicContact CE2-CZ 3.73Å |
| 41 | F | 96.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122 | 178.4 | -62.3 | -79.1 | 0 | 0 | 0 | 111.1 | A11 I13 W19 A21 I39 T44 Y45 Q46 S48 V50 | A11-F41 HydrophobicContact CB-CE1 3.75Å; A11-F41 HydrophobicContact CB-CZ 4.36Å; I13-F41 HydrophobicContact CD1-CZ 4.3Å; I13-F41 HydrophobicContact CG2-CZ 3.83Å; W19-F41 HydrophobicContact CB-CD1 4.05Å; W19-F41 HydrophobicContact CB-CE1 4.34Å; W19-F41 AromaticContact CD1-CD1 3.88Å; W19-F41 HydrophobicContact CG-CD1 4.23Å; A21-F41 HydrophobicContact CB-CD1 3.95Å; A21-F41 HydrophobicContact CB-CE1 4.4Å; I39-F41 HydrophobicContact CG2-CD1 4.27Å; I39-F41 HydrophobicContact CG2-CE1 3.99Å; I39-F41 HydrophobicContact CG2-CE2 4.25Å; I39-F41 HydrophobicContact CG2-CZ 3.97Å; F41-T44 WeakPolarHBondContact CB-OG1 3.42Å; F41-T44 PolarHBondContact O-OG1 3.14Å; F41-Y45 PolarHBondContact O-N 2.66Å; F41-Y45 VanDerWaalsContact O-N 3.1Å; F41-Q46 HydrophobicContact CD2-CB 4.19Å; F41-Q46 WeakPolarHBondContact CD2-O 3.42Å; F41-Q46 PolarHBondContact N-O 2.87Å; F41-S48 WeakPolarHBondContact CE2-OG 3.46Å; F41-V50 HydrophobicContact CZ-CG2 4.06Å |
| 42 | Y | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 156.6 | 176.9 | -64.4 | -82.5 | 0 | 0 | 0 | 111.7 | W19 P20 A21 R22 F40 T44 A77 E80 I81 P85 I87 | W19-Y42 PolarHBondContact NE1-O 3.44Å; P20-Y42 HydrophobicContact CB-CD2 4.49Å; P20-Y42 PolarHBondContact O-N 2.84Å; P20-Y42 VanDerWaalsContact O-N 3.15Å; A21-Y42 VanDerWaalsContact C-CE2 3.41Å; R22-Y42 HydrophobicContact CB-CE2 4.08Å; R22-Y42 WeakPolarHBondContact CD-OH 3.33Å; R22-Y42 HydrophobicContact CG-CE2 4.22Å; F40-Y42 HydrophobicContact CD1-CD1 4.32Å; F40-Y42 HydrophobicContact CD1-CE1 4.33Å; F40-Y42 HydrophobicContact CD1-CG 4.49Å; F40-Y42 AromaticContact CE1-CD1 3.71Å; F40-Y42 HydrophobicContact CE1-CD1 3.71Å; F40-Y42 AromaticContact CE1-CE1 3.89Å; F40-Y42 HydrophobicContact CE1-CE1 3.89Å; F40-Y42 HydrophobicContact CE1-CG 4.17Å; Y42-T44 PolarHBondContact O-N 2.78Å; Y42-A77 WeakPolarHBondContact O-CB 3.05Å; Y42-E80 WeakPolarHBondContact CA-OE1 3.35Å; Y42-E80 VanDerWaalsContact CB-OE1 3.3Å; Y42-E80 WeakPolarHBondContact CB-OE1 3.41Å; Y42-E80 HydrophobicContact CD1-CB 4.36Å; Y42-E80 HydrophobicContact CD1-CG 3.88Å; Y42-E80 WeakPolarHBondContact CD1-OE1 3.44Å; Y42-I81 HydrophobicContact CD1-CB 4.37Å; Y42-I81 HydrophobicContact CD2-CB 3.61Å; Y42-I81 HydrophobicContact CD2-CD1 3.72Å; Y42-I81 HydrophobicContact CD2-CG1 3.74Å; Y42-I81 HydrophobicContact CE1-CB 4.46Å; Y42-I81 HydrophobicContact CE2-CB 3.72Å; Y42-I81 HydrophobicContact CE2-CD1 3.46Å; Y42-I81 VanDerWaalsContact CE2-CD1 3.46Å; Y42-I81 HydrophobicContact CE2-CG1 3.36Å; Y42-I81 HydrophobicContact CG-CB 3.95Å; Y42-P85 WeakPolarHBondContact OH-CA 3.41Å; Y42-P85 PolarHBondContact OH-O 3.28Å; Y42-I87 HydrophobicContact CD1-CG2 4.13Å; Y42-I87 HydrophobicContact CE1-CG2 4.04Å |
| 43 | G | 93.6 | Very high | 94 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | -13.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | E80 | G43-E80 PolarHBondContact N-OE1 3.06Š|
| 44 | T | 93.6 | Very high | 94.3 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -14.8 | 176.9 | 64 | 0 | 0 | 0 | 0 | 113.1 | W19 F41 Y42 Q46 | W19-T44 HydrophobicContact CZ2-CG2 3.84Å; F41-T44 WeakPolarHBondContact CB-OG1 3.42Å; F41-T44 PolarHBondContact O-OG1 3.14Å; Y42-T44 PolarHBondContact O-N 2.78Å; T44-Q46 PolarHBondContact O-N 3.39Å; T44-Q46 VanDerWaalsContact O-N 3.12Å |
| 45 | Y | 94.6 | Very high | 94.7 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 32.9 | -177.2 | -45 | -59.9 | 0 | 0 | 0 | 113.7 | F40 F41 E80 I87 Y88 F99 | F40-Y45 HydrophobicContact CE2-CD1 4.49Å; F40-Y45 AromaticContact CZ-CD1 3.9Å; F40-Y45 HydrophobicContact CZ-CD1 3.9Å; F41-Y45 PolarHBondContact O-N 2.66Å; F41-Y45 VanDerWaalsContact O-N 3.1Å; Y45-E80 WeakPolarHBondContact CE1-OE1 3.44Å; Y45-E80 WeakPolarHBondContact CE1-OE2 3.42Å; Y45-E80 PolarHBondContact OH-OE2 3.49Å; Y45-I87 HydrophobicContact CE1-CD1 4.02Å; Y45-Y88 HydrophobicContact CD1-CD2 4.16Å; Y45-Y88 AromaticContact CD1-CE2 3.92Å; Y45-Y88 HydrophobicContact CD1-CE2 3.92Å; Y45-Y88 HydrophobicContact CE1-CE2 4.15Å; Y45-Y88 HydrophobicContact CG-CE2 4.31Å; Y45-F99 WeakPolarHBondContact O-CZ 3.45Å |
| 46 | Q | 94.7 | Very high | 94.9 | Very high | 117 Ų | 117 | 44 Ų | 44 | 55% | 0.547 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 143.2 | 175.2 | -62.6 | -170.4 | 30.8 | 0 | 0 | 110.2 | F41 T44 | F41-Q46 HydrophobicContact CD2-CB 4.19Å; F41-Q46 WeakPolarHBondContact CD2-O 3.42Å; F41-Q46 PolarHBondContact N-O 2.87Å; T44-Q46 PolarHBondContact O-N 3.39Å; T44-Q46 VanDerWaalsContact O-N 3.12Å |
| 47 | V | 94.3 | Very high | 95 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 13% | 0.127 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143.3 | 170.4 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | I39 F40 F99 F103 Y104 | I39-V47 CarbonylContact O-C 3.5Å; I39-V47 WeakPolarHBondContact O-CA 3.4Å; F40-V47 HydrophobicContact CB-CG1 4.1Å; F40-V47 HydrophobicContact CD2-CG1 3.83Å; F40-V47 HydrophobicContact CG-CG1 4.41Å; V47-F99 HydrophobicContact CG1-CE1 4.07Å; V47-F99 HydrophobicContact CG1-CZ 4.4Å; V47-F103 HydrophobicContact CG2-CB 3.42Å; V47-F103 VanDerWaalsContact CG2-CB 3.42Å; V47-F103 HydrophobicContact CG2-CD1 3.45Å; V47-F103 VanDerWaalsContact CG2-CD1 3.45Å; V47-F103 HydrophobicContact CG2-CD2 3.7Å; V47-F103 HydrophobicContact CG2-CE1 4.05Å; V47-F103 HydrophobicContact CG2-CE2 4.28Å; V47-F103 HydrophobicContact CG2-CG 3.24Å; V47-F103 HydrophobicContact CG2-CZ 4.43Å; V47-Y104 HydrophobicContact CB-CE2 4.24Å; V47-Y104 HydrophobicContact CG2-CE2 3.75Å |
| 48 | S | 94.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 39 Ų | 39 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 167.6 | 179.1 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | I39 F41 V50 | I39-S48 PolarHBondContact N-O 3.11Å; I39-S48 PolarHBondContact O-N 3.47Å; F41-S48 WeakPolarHBondContact CE2-OG 3.46Å; S48-V50 VanDerWaalsContact OG-CG2 3.31Å; S48-V50 WeakPolarHBondContact OG-CG2 3.4Å |
| 49 | F | 95 | Very high | 95 | Very high | 65 Ų | 65 | 43.7 Ų | 43.7 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 105.8 | 169.8 | -64.1 | -68 | 0 | 0 | 0 | 110.3 | L26 I32 P33 K36 L37 P38 Y104 | L26-F49 HydrophobicContact CD1-CE1 4.49Å; I32-F49 HydrophobicContact CB-CE1 4.36Å; I32-F49 HydrophobicContact CG1-CE1 4.2Å; I32-F49 HydrophobicContact CG2-CD1 4.18Å; I32-F49 HydrophobicContact CG2-CE1 4.12Å; P33-F49 HydrophobicContact CG-CB 4.47Å; P33-F49 HydrophobicContact CG-CD2 4.09Å; P33-F49 HydrophobicContact CG-CE2 4.43Å; P33-F49 HydrophobicContact CG-CG 4.13Å; K36-F49 HydrophobicContact CB-CB 4.14Å; K36-F49 HydrophobicContact CD-CB 3.86Å; L37-F49 WeakPolarHBondContact O-CA 3.44Å; P38-F49 HydrophobicContact CB-CD1 4.24Å; P38-F49 HydrophobicContact CB-CE1 4.06Å; F49-Y104 HydrophobicContact CE1-CE1 4.25Å; F49-Y104 HydrophobicContact CE2-CE1 4.13Å; F49-Y104 HydrophobicContact CZ-CD1 4.3Å; F49-Y104 AromaticContact CZ-CE1 3.65Å; F49-Y104 HydrophobicContact CZ-CE1 3.65Å |
| 50 | V | 95.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 141.4 | -179.9 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | I13 K36 L37 I39 F41 S48 N54 I55 | I13-V50 HydrophobicContact CG2-CG2 3.93Å; K36-V50 CarbonylContact C-O 3.59Å; K36-V50 WeakPolarHBondContact CA-O 3.41Å; K36-V50 WeakPolarHBondContact CB-O 3.24Å; L37-V50 PolarHBondContact N-O 3.1Å; L37-V50 PolarHBondContact O-N 3.42Å; I39-V50 HydrophobicContact CB-CB 4.47Å; I39-V50 HydrophobicContact CB-CG2 3.89Å; I39-V50 HydrophobicContact CG1-CB 3.78Å; I39-V50 HydrophobicContact CG1-CG2 3.75Å; I39-V50 HydrophobicContact CG2-CG2 4.37Å; F41-V50 HydrophobicContact CZ-CG2 4.06Å; S48-V50 VanDerWaalsContact OG-CG2 3.31Å; S48-V50 WeakPolarHBondContact OG-CG2 3.4Å; V50-N54 HydrophobicContact CG1-CB 3.67Å; V50-I55 HydrophobicContact CB-CD1 4.07Å; V50-I55 HydrophobicContact CB-CG1 4.18Å; V50-I55 HydrophobicContact CG1-CD1 4.21Å; V50-I55 HydrophobicContact CG1-CG1 3.84Å |
| 51 | S | 94.5 | Very high | 94.7 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 145.1 | 177.8 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | G35 K53 N54 | G35-S51 WeakPolarHBondContact O-CA 3.48Å; G35-S51 PolarHBondContact O-OG 2.94Å; S51-K53 PolarHBondContact O-N 2.98Å; S51-K53 VanDerWaalsContact O-N 3.11Å; S51-N54 WeakPolarHBondContact O-CA 3.28Å; S51-N54 WeakPolarHBondContact O-CB 3.41Å; S51-N54 PolarHBondContact O-N 3.06Å |
| 52 | V | 94.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -53.4 | -36.2 | -177.3 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | G35 L37 N54 I55 | G35-V52 PolarHBondContact O-N 3.49Å; L37-V52 HydrophobicContact CD1-CG2 4.27Å; L37-V52 HydrophobicContact CG-CG2 4.16Å; V52-N54 PolarHBondContact O-N 3.41Å; V52-N54 VanDerWaalsContact O-N 3.11Å; V52-I55 PolarHBondContact O-N 3.12Å; V52-I55 VanDerWaalsContact O-N 3.09Å |
| 53 | K | 94.5 | Very high | 94.3 | Very high | 181 Ų | 181 | 62.7 Ų | 62.7 | 79% | 0.787 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -65.1 | -11.6 | 176.7 | 70.4 | 177.1 | -174.5 | 176.9 | 0 | 115.4 | S51 | S51-K53 PolarHBondContact O-N 2.98Å; S51-K53 VanDerWaalsContact O-N 3.11Å |
| 54 | N | 95.7 | Very high | 94.2 | Very high | 53 Ų | 53 | 68.4 Ų | 68.4 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -108.2 | 10.1 | 178.2 | -79.1 | 29.6 | 0 | 0 | 0 | 112.1 | K12 V50 S51 V52 | K12-N54 HydrophobicContact CB-CB 4.12Å; K12-N54 PolarHBondContact N-O 2.92Å; K12-N54 WeakPolarHBondContact O-CB 3.37Å; K12-N54 PolarHBondContact O-ND2 3.45Å; V50-N54 HydrophobicContact CG1-CB 3.67Å; S51-N54 WeakPolarHBondContact O-CA 3.28Å; S51-N54 WeakPolarHBondContact O-CB 3.41Å; S51-N54 PolarHBondContact O-N 3.06Å; V52-N54 PolarHBondContact O-N 3.41Å; V52-N54 VanDerWaalsContact O-N 3.11Å |
| 55 | I | 95.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138.6 | -177.5 | -61.1 | 163.6 | 0 | 0 | 0 | 108.1 | V9 L37 I39 V50 V52 | V9-I55 HydrophobicContact CB-CG2 3.79Å; V9-I55 HydrophobicContact CG1-CG2 3.68Å; V9-I55 HydrophobicContact CG2-CG2 3.96Å; L37-I55 HydrophobicContact CB-CD1 3.84Å; L37-I55 HydrophobicContact CD1-CD1 3.9Å; L37-I55 HydrophobicContact CG-CD1 4.25Å; I39-I55 HydrophobicContact CD1-CD1 3.8Å; I39-I55 HydrophobicContact CD1-CG1 4.26Å; I39-I55 HydrophobicContact CG1-CD1 3.94Å; I39-I55 HydrophobicContact CG1-CG1 4.36Å; V50-I55 HydrophobicContact CB-CD1 4.07Å; V50-I55 HydrophobicContact CB-CG1 4.18Å; V50-I55 HydrophobicContact CG1-CD1 4.21Å; V50-I55 HydrophobicContact CG1-CG1 3.84Å; V52-I55 PolarHBondContact O-N 3.12Å; V52-I55 VanDerWaalsContact O-N 3.09Å |
| 56 | V | 94.8 | Very high | 93.7 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 22% | 0.218 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 137.8 | -170.9 | -100.3 | 0 | 0 | 0 | 0 | 109.1 | V9 F10 F61 W65 | V9-V56 CarbonylContact C-O 3.51Å; V9-V56 VanDerWaalsContact CA-O 3.31Å; V9-V56 WeakPolarHBondContact CA-O 3.44Å; V9-V56 WeakPolarHBondContact CB-O 3.34Å; F10-V56 HydrophobicContact CB-CG2 4.18Å; F10-V56 PolarHBondContact N-O 2.84Å; F10-V56 WeakPolarHBondContact O-CG2 3.25Å; F10-V56 PolarHBondContact O-N 3.05Å; V56-F61 HydrophobicContact CB-CD2 3.95Å; V56-F61 HydrophobicContact CB-CE2 3.99Å; V56-F61 HydrophobicContact CG1-CD2 4.26Å; V56-F61 HydrophobicContact CG1-CE2 3.78Å; V56-F61 HydrophobicContact CG1-CZ 4.31Å; V56-W65 HydrophobicContact CB-CH2 4.25Å; V56-W65 HydrophobicContact CB-CZ3 3.9Å; V56-W65 HydrophobicContact CG1-CH2 4.37Å; V56-W65 HydrophobicContact CG1-CZ3 4.5Å; V56-W65 HydrophobicContact CG2-CE3 4.38Å; V56-W65 HydrophobicContact CG2-CH2 3.73Å; V56-W65 HydrophobicContact CG2-CZ3 3.36Å |
| 57 | P | 95.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 16% | 0.156 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 139.8 | -173.7 | -23.2 | 32.5 | 0 | 0 | 0 | 113 | M1 K60 F61 | M1-P57 HydrophobicContact SD-CG 3.68Å; P57-K60 HydrophobicContact CB-CB 4.3Å; P57-K60 HydrophobicContact CB-CG 4.28Å; P57-F61 WeakPolarHBondContact O-CD2 3.44Å |
| 58 | Y | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -64.6 | -56.6 | -176.2 | 178.8 | -104.4 | 0 | 0 | 0 | 111.7 | K8 F10 P20 K60 F61 K62 M78 I81 E82 | K8-Y58 VanDerWaalsContact C-CB 3.48Å; K8-Y58 HydrophobicContact CB-CD1 4.42Å; K8-Y58 HydrophobicContact CB-CG 4.29Å; K8-Y58 HydrophobicContact CD-CD1 4.49Å; K8-Y58 WeakPolarHBondContact O-CB 3.34Å; K8-Y58 PolarHBondContact O-N 3.23Å; F10-Y58 AromaticContact CD2-CD2 3.74Å; F10-Y58 HydrophobicContact CD2-CD2 3.74Å; F10-Y58 HydrophobicContact CD2-CE2 4.46Å; F10-Y58 HydrophobicContact CD2-CG 4.48Å; F10-Y58 HydrophobicContact CE1-CD2 4.12Å; F10-Y58 HydrophobicContact CE1-CE2 4.01Å; F10-Y58 AromaticContact CE2-CD2 3.26Å; F10-Y58 HydrophobicContact CE2-CD2 3.26Å; F10-Y58 AromaticContact CE2-CE2 3.62Å; F10-Y58 HydrophobicContact CE2-CE2 3.62Å; F10-Y58 HydrophobicContact CE2-CG 4.1Å; F10-Y58 HydrophobicContact CG-CD2 4.34Å; F10-Y58 AromaticContact CZ-CD2 3.49Å; F10-Y58 HydrophobicContact CZ-CD2 3.49Å; F10-Y58 VanDerWaalsContact CZ-CD2 3.49Å; F10-Y58 AromaticContact CZ-CE2 3.35Å; F10-Y58 HydrophobicContact CZ-CE2 3.35Å; P20-Y58 HydrophobicContact CB-CE2 4.39Å; Y58-K60 PolarHBondContact O-N 3.16Å; Y58-K60 VanDerWaalsContact O-N 3.12Å; Y58-F61 CarbonylContact O-C 3.57Å; Y58-F61 PolarHBondContact O-N 3.49Å; Y58-K62 HydrophobicContact CE1-CD 4.25Å; Y58-K62 PolarHBondContact O-N 3.19Å; Y58-M78 HydrophobicContact CE2-CE 4.31Å; Y58-M78 HydrophobicContact CE2-SD 4.07Å; Y58-M78 WeakPolarHBondContact OH-CE 3.47Å; Y58-I81 HydrophobicContact CD1-CD1 4.31Å; Y58-I81 HydrophobicContact CD2-CD1 3.69Å; Y58-I81 HydrophobicContact CE1-CD1 4.48Å; Y58-I81 HydrophobicContact CE1-CG2 4.26Å; Y58-I81 HydrophobicContact CE2-CD1 3.88Å; Y58-I81 HydrophobicContact CE2-CG2 3.92Å; Y58-I81 HydrophobicContact CG-CD1 3.92Å; Y58-I81 WeakPolarHBondContact OH-CG2 3.33Å; Y58-E82 HydrophobicContact CE1-CG 4.33Å; Y58-E82 VanDerWaalsContact CE1-OE1 3.31Å; Y58-E82 WeakPolarHBondContact CE1-OE1 3.42Å; Y58-E82 PolarHBondContact OH-OE1 2.97Å |
| 59 | E | 93.3 | Very high | 91.7 | Very high | 105 Ų | 105 | 72.1 Ų | 72.1 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32.3 | -177.3 | -78.1 | 65.3 | -154.8 | 0 | 0 | 113.3 | K8 F61 | K8-E59 WeakPolarHBondContact CE-OE1 3.28Å; K8-E59 IonicContact NZ-OE1 2.61Å; K8-E59 PolarHBondContact NZ-OE1 2.65Å; E59-F61 VanDerWaalsContact C-N 3.32Å; E59-F61 PolarHBondContact O-N 2.85Å |
| 60 | K | 93 | Very high | 90.9 | Very high | 147 Ų | 147 | 75.8 Ų | 75.8 | 64% | 0.639 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8.5 | -180 | -61.9 | -165.5 | 176.9 | -168.6 | 0 | 114.3 | M1 P57 Y58 | M1-K60 HydrophobicContact CE-CD 4.48Å; P57-K60 HydrophobicContact CB-CB 4.3Å; P57-K60 HydrophobicContact CB-CG 4.28Å; Y58-K60 PolarHBondContact O-N 3.16Å; Y58-K60 VanDerWaalsContact O-N 3.12Å |
| 61 | F | 93 | Very high | 90.4 | Very high | 58 Ų | 58 | 77.9 Ų | 77.9 | 25% | 0.254 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.5 | 8.4 | -176.5 | -67.6 | -80.2 | 0 | 0 | 0 | 114.1 | F10 V56 P57 Y58 E59 D63 K64 W65 | F10-F61 HydrophobicContact CD2-CB 4.12Å; F10-F61 HydrophobicContact CE2-CB 4.43Å; V56-F61 HydrophobicContact CB-CD2 3.95Å; V56-F61 HydrophobicContact CB-CE2 3.99Å; V56-F61 HydrophobicContact CG1-CD2 4.26Å; V56-F61 HydrophobicContact CG1-CE2 3.78Å; V56-F61 HydrophobicContact CG1-CZ 4.31Å; P57-F61 WeakPolarHBondContact O-CD2 3.44Å; Y58-F61 CarbonylContact O-C 3.57Å; Y58-F61 PolarHBondContact O-N 3.49Å; E59-F61 VanDerWaalsContact C-N 3.32Å; E59-F61 PolarHBondContact O-N 2.85Å; F61-D63 VanDerWaalsContact C-N 3.28Å; F61-D63 PolarHBondContact O-N 3.18Å; F61-K64 HydrophobicContact CD1-CB 4.43Å; F61-K64 HydrophobicContact CD1-CD 4.09Å; F61-K64 PolarHBondContact O-N 3.08Å; F61-W65 HydrophobicContact CB-CD2 4.25Å; F61-W65 HydrophobicContact CB-CE3 3.39Å; F61-W65 HydrophobicContact CB-CH2 4.12Å; F61-W65 HydrophobicContact CB-CZ3 3.3Å; F61-W65 HydrophobicContact CD1-CE3 4.31Å; F61-W65 AromaticContact CD1-CH2 3.54Å; F61-W65 HydrophobicContact CD1-CH2 3.54Å; F61-W65 HydrophobicContact CD1-CZ2 4.14Å; F61-W65 AromaticContact CD1-CZ3 3.64Å; F61-W65 HydrophobicContact CD1-CZ3 3.64Å; F61-W65 HydrophobicContact CD2-CH2 4.23Å; F61-W65 AromaticContact CD2-CZ3 3.83Å; F61-W65 HydrophobicContact CD2-CZ3 3.83Å; F61-W65 AromaticContact CE1-CH2 3.93Å; F61-W65 HydrophobicContact CE1-CH2 3.93Å; F61-W65 HydrophobicContact CE1-CZ3 4.39Å; F61-W65 AromaticContact CG-CE3 3.95Å; F61-W65 HydrophobicContact CG-CE3 3.95Å; F61-W65 AromaticContact CG-CH2 3.71Å; F61-W65 HydrophobicContact CG-CH2 3.71Å; F61-W65 AromaticContact CG-CZ3 3.31Å; F61-W65 HydrophobicContact CG-CZ3 3.31Å; F61-W65 HydrophobicContact CZ-CH2 4.42Å; F61-W65 PolarHBondContact O-N 2.93Å |
| 62 | K | 93.2 | Very high | 90.2 | Very high | 78 Ų | 78 | 79.4 Ų | 79.4 | 34% | 0.339 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -51.1 | -47.7 | 174.6 | -178.8 | 173.4 | 171.7 | 170.9 | 0 | 110.9 | Y58 K64 W65 G66 E82 | Y58-K62 HydrophobicContact CE1-CD 4.25Å; Y58-K62 PolarHBondContact O-N 3.19Å; K62-K64 PolarHBondContact O-N 2.59Å; K62-W65 PolarHBondContact O-N 2.55Å; K62-G66 WeakPolarHBondContact O-CA 3.41Å; K62-G66 PolarHBondContact O-N 3.03Å; K62-E82 WeakPolarHBondContact CD-OE1 3.26Å; K62-E82 WeakPolarHBondContact CE-OE1 3.45Å; K62-E82 IonicContact NZ-OE1 2.75Å; K62-E82 PolarHBondContact NZ-OE1 3.4Å; K62-E82 IonicContact NZ-OE2 2.91Å; K62-E82 PolarHBondContact NZ-OE2 3.4Å |
| 63 | D | 91.7 | Very high | 90 | Very high | 127 Ų | 127 | 82.3 Ų | 82.3 | 68% | 0.679 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.9 | -24.5 | 179.8 | -44 | -42.2 | 0 | 0 | 0 | 113.6 | F61 K67 | F61-D63 VanDerWaalsContact C-N 3.28Å; F61-D63 PolarHBondContact O-N 3.18Å; D63-K67 WeakPolarHBondContact O-CE 3.04Å; D63-K67 WeakPolarHBondContact O-CG 3.47Å |
| 64 | K | 91.7 | Very high | 89.9 | Confident | 140 Ų | 140 | 73.8 Ų | 73.8 | 61% | 0.609 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -91.2 | -36.6 | -176.6 | -167.7 | 175 | -175.3 | 169.9 | 0 | 113.1 | F61 K62 | F61-K64 HydrophobicContact CD1-CB 4.43Å; F61-K64 HydrophobicContact CD1-CD 4.09Å; F61-K64 PolarHBondContact O-N 3.08Å; K62-K64 PolarHBondContact O-N 2.59Å |
| 65 | W | 90.9 | Very high | 89.7 | Confident | 50 Ų | 50 | 75.8 Ų | 75.8 | 19% | 0.189 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -123 | -23.1 | -173.8 | -61 | -41 | 0 | 0 | 0 | 115.2 | F10 N18 V56 F61 K62 K67 K69 F74 | F10-W65 HydrophobicContact CB-CE3 3.75Å; F10-W65 HydrophobicContact CB-CZ3 4.13Å; F10-W65 HydrophobicContact CD1-CB 4.1Å; F10-W65 HydrophobicContact CD1-CE3 4.46Å; F10-W65 AromaticContact CD2-CE3 3.8Å; F10-W65 HydrophobicContact CD2-CE3 3.8Å; F10-W65 HydrophobicContact CD2-CZ3 4.48Å; F10-W65 HydrophobicContact CE1-CB 3.94Å; F10-W65 HydrophobicContact CE2-CB 4.46Å; F10-W65 HydrophobicContact CG-CB 4.43Å; F10-W65 AromaticContact CG-CE3 3.76Å; F10-W65 HydrophobicContact CG-CE3 3.76Å; F10-W65 HydrophobicContact CZ-CB 4.13Å; N18-W65 HydrophobicContact CB-CB 4.38Å; N18-W65 HydrophobicContact CB-CD2 3.93Å; N18-W65 HydrophobicContact CB-CE3 4.11Å; N18-W65 HydrophobicContact CB-CG 4.02Å; N18-W65 VanDerWaalsContact ND2-CD2 3.3Å; N18-W65 PolarHBondContact ND2-NE1 3.16Å; V56-W65 HydrophobicContact CB-CH2 4.25Å; V56-W65 HydrophobicContact CB-CZ3 3.9Å; V56-W65 HydrophobicContact CG1-CH2 4.37Å; V56-W65 HydrophobicContact CG1-CZ3 4.5Å; V56-W65 HydrophobicContact CG2-CE3 4.38Å; V56-W65 HydrophobicContact CG2-CH2 3.73Å; V56-W65 HydrophobicContact CG2-CZ3 3.36Å; F61-W65 HydrophobicContact CB-CD2 4.25Å; F61-W65 HydrophobicContact CB-CE3 3.39Å; F61-W65 HydrophobicContact CB-CH2 4.12Å; F61-W65 HydrophobicContact CB-CZ3 3.3Å; F61-W65 HydrophobicContact CD1-CE3 4.31Å; F61-W65 AromaticContact CD1-CH2 3.54Å; F61-W65 HydrophobicContact CD1-CH2 3.54Å; F61-W65 HydrophobicContact CD1-CZ2 4.14Å; F61-W65 AromaticContact CD1-CZ3 3.64Å; F61-W65 HydrophobicContact CD1-CZ3 3.64Å; F61-W65 HydrophobicContact CD2-CH2 4.23Å; F61-W65 AromaticContact CD2-CZ3 3.83Å; F61-W65 HydrophobicContact CD2-CZ3 3.83Å; F61-W65 AromaticContact CE1-CH2 3.93Å; F61-W65 HydrophobicContact CE1-CH2 3.93Å; F61-W65 HydrophobicContact CE1-CZ3 4.39Å; F61-W65 AromaticContact CG-CE3 3.95Å; F61-W65 HydrophobicContact CG-CE3 3.95Å; F61-W65 AromaticContact CG-CH2 3.71Å; F61-W65 HydrophobicContact CG-CH2 3.71Å; F61-W65 AromaticContact CG-CZ3 3.31Å; F61-W65 HydrophobicContact CG-CZ3 3.31Å; F61-W65 HydrophobicContact CZ-CH2 4.42Å; F61-W65 PolarHBondContact O-N 2.93Å; K62-W65 PolarHBondContact O-N 2.55Å; W65-K67 PolarHBondContact O-N 2.8Å; W65-K69 PolarHBondContact O-NZ 3.11Å; W65-F74 WeakPolarHBondContact O-CZ 3.48Å |
| 66 | G | 87.3 | Confident | 89.6 | Confident | 15 Ų | 15 | 77.7 Ų | 77.7 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | trans | -79.1 | 2.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | K62 M78 | K62-G66 WeakPolarHBondContact O-CA 3.41Å; K62-G66 PolarHBondContact O-N 3.03Å; G66-M78 VanDerWaalsContact CA-CE 3.44Å; G66-M78 VanDerWaalsContact CA-SD 3.5Å; G66-M78 WeakPolarHBondContact O-CE 3.41Å | ||
| 67 | K | 84.9 | Confident | 89.7 | Confident | 143 Ų | 143 | 76 Ų | 76 | 62% | 0.622 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -55.2 | 139.6 | 166.4 | -59.3 | -162.3 | 178.6 | -162.4 | 0 | 109.8 | D63 W65 | D63-K67 WeakPolarHBondContact O-CE 3.04Å; D63-K67 WeakPolarHBondContact O-CG 3.47Å; W65-K67 PolarHBondContact O-N 2.8Å |
| 68 | P | 76.8 | Confident | 89.6 | Confident | 110 Ų | 110 | 76 Ų | 76 | 71% | 0.714 | 40% | 0.4 | S | S | * | . | trans | -58.4 | 148.1 | -177.9 | 23.7 | -33.7 | 0 | 0 | 0 | 111.5 | M75 | P68-M75 HydrophobicContact CB-SD 4.29Š| ||
| 69 | K | 78.6 | Confident | 89.5 | Confident | 66 Ų | 66 | 81.2 Ų | 81.2 | 29% | 0.287 | 43% | 0.429 | S | S | . | . | trans | -135.5 | 152.2 | -179.2 | -69.5 | -176.2 | -173.1 | 113.7 | 0 | 108.8 | W65 S71 F74 | W65-K69 PolarHBondContact O-NZ 3.11Å; K69-S71 PolarHBondContact O-N 3.37Å; K69-F74 HydrophobicContact CB-CD1 4Å; K69-F74 HydrophobicContact CB-CG 4.41Å; K69-F74 HydrophobicContact CD-CD1 4.13Å; K69-F74 HydrophobicContact CD-CD2 4.48Å; K69-F74 HydrophobicContact CD-CE1 4.18Å; K69-F74 HydrophobicContact CD-CG 4.32Å; K69-F74 HydrophobicContact CD-CZ 4.41Å; K69-F74 HydrophobicContact CG-CD1 4.14Å; K69-F74 HydrophobicContact CG-CE1 4.28Å | ||
| 70 | P | 77.7 | Confident | 89.6 | Confident | 143 Ų | 143 | 77.4 Ų | 77.4 | 93% | 0.929 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -65.4 | 2 | -178.2 | 27 | -36.4 | 0 | 0 | 0 | 115.2 | ||
| 71 | S | 85.6 | Confident | 89.7 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | trans | -87.9 | 110 | 170.2 | -178.5 | 0 | 0 | 0 | 0 | 110 | K69 Q73 F74 M75 | K69-S71 PolarHBondContact O-N 3.37Å; S71-Q73 PolarHBondContact O-N 3.14Å; S71-F74 WeakPolarHBondContact O-CB 3.39Å; S71-F74 PolarHBondContact O-N 2.82Å; S71-M75 PolarHBondContact O-N 2.87Å | ||
| 72 | A | 90 | Very high | 89.7 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 59% | 0.587 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -53.9 | -35.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F74 M75 A76 | A72-F74 VanDerWaalsContact C-N 3.3Å; A72-F74 PolarHBondContact O-N 3.48Å; A72-M75 PolarHBondContact O-N 3.46Å; A72-A76 PolarHBondContact O-N 2.79Å |
| 73 | Q | 90.5 | Very high | 89.7 | Confident | 122 Ų | 122 | 71 Ų | 71 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.6 | -32.8 | 175.4 | -67 | 178 | 0.7 | 0 | 0 | 113 | W19 S71 A77 | W19-Q73 HydrophobicContact CH2-CB 4.01Å; W19-Q73 HydrophobicContact CZ2-CB 4.18Å; W19-Q73 WeakPolarHBondContact CZ2-O 3.49Å; S71-Q73 PolarHBondContact O-N 3.14Å; Q73-A77 WeakPolarHBondContact O-CB 3.43Å; Q73-A77 PolarHBondContact O-N 3.41Å |
| 74 | F | 93.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 175.5 | -174.8 | -92.5 | 0 | 0 | 0 | 111.2 | W19 P20 W65 K69 S71 A72 A77 M78 | W19-F74 HydrophobicContact CD2-CD2 4.16Å; W19-F74 AromaticContact CE3-CD2 3.75Å; W19-F74 HydrophobicContact CE3-CD2 3.75Å; W19-F74 HydrophobicContact CE3-CE2 4.45Å; W19-F74 HydrophobicContact CH2-CB 3.84Å; W19-F74 HydrophobicContact CH2-CD2 4.25Å; W19-F74 HydrophobicContact CZ2-CB 4.43Å; W19-F74 HydrophobicContact CZ3-CB 4.04Å; W19-F74 AromaticContact CZ3-CD2 3.8Å; W19-F74 HydrophobicContact CZ3-CD2 3.8Å; W19-F74 HydrophobicContact CZ3-CG 4.44Å; P20-F74 HydrophobicContact CG-CE2 4.32Å; P20-F74 HydrophobicContact CG-CZ 4.46Å; W65-F74 WeakPolarHBondContact O-CZ 3.48Å; K69-F74 HydrophobicContact CB-CD1 4Å; K69-F74 HydrophobicContact CB-CG 4.41Å; K69-F74 HydrophobicContact CD-CD1 4.13Å; K69-F74 HydrophobicContact CD-CD2 4.48Å; K69-F74 HydrophobicContact CD-CE1 4.18Å; K69-F74 HydrophobicContact CD-CG 4.32Å; K69-F74 HydrophobicContact CD-CZ 4.41Å; K69-F74 HydrophobicContact CG-CD1 4.14Å; K69-F74 HydrophobicContact CG-CE1 4.28Å; S71-F74 WeakPolarHBondContact O-CB 3.39Å; S71-F74 PolarHBondContact O-N 2.82Å; A72-F74 VanDerWaalsContact C-N 3.3Å; A72-F74 PolarHBondContact O-N 3.48Å; F74-A77 PolarHBondContact O-N 2.94Å; F74-M78 HydrophobicContact CD1-CG 4.07Å; F74-M78 HydrophobicContact CE1-CG 3.64Å; F74-M78 HydrophobicContact CE1-SD 4.24Å; F74-M78 HydrophobicContact CZ-CG 4.06Å; F74-M78 HydrophobicContact CZ-SD 4.2Å; F74-M78 WeakPolarHBondContact O-CB 3.39Å; F74-M78 WeakPolarHBondContact O-CG 3.41Å; F74-M78 PolarHBondContact O-N 3.23Å |
| 75 | M | 92 | Very high | 89.7 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 47% | 0.468 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 176.3 | -60.7 | -168.7 | -65.9 | 0 | 0 | 111.7 | P68 S71 A72 M78 N79 | P68-M75 HydrophobicContact CB-SD 4.29Å; S71-M75 PolarHBondContact O-N 2.87Å; A72-M75 PolarHBondContact O-N 3.46Å; M75-M78 PolarHBondContact O-N 2.76Å; M75-N79 PolarHBondContact O-N 2.79Å |
| 76 | A | 93.8 | Very high | 89.7 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 40% | 0.397 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A72 M78 N79 E80 | A72-A76 PolarHBondContact O-N 2.79Å; A76-M78 VanDerWaalsContact C-N 3.33Å; A76-M78 PolarHBondContact O-N 3.23Å; A76-N79 PolarHBondContact O-N 3.06Å; A76-E80 VanDerWaalsContact O-CB 3.29Å; A76-E80 WeakPolarHBondContact O-CB 3.45Å; A76-E80 PolarHBondContact O-N 3.28Å |
| 77 | A | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W19 P20 Y42 Q73 F74 I81 | W19-A77 HydrophobicContact CZ2-CB 4.04Å; P20-A77 HydrophobicContact CB-CB 4.3Å; P20-A77 HydrophobicContact CG-CB 4.04Å; Y42-A77 WeakPolarHBondContact O-CB 3.05Å; Q73-A77 WeakPolarHBondContact O-CB 3.43Å; Q73-A77 PolarHBondContact O-N 3.41Å; F74-A77 PolarHBondContact O-N 2.94Å; A77-I81 WeakPolarHBondContact O-CG2 3.46Å; A77-I81 PolarHBondContact O-N 2.66Å |
| 78 | M | 94.2 | Very high | 90.1 | Very high | 24 Ų | 24 | 60 Ų | 60 | 12% | 0.118 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.3 | -33.8 | 174.9 | -78.6 | -65.4 | -53.8 | 0 | 0 | 113 | F10 P20 Y58 G66 F74 M75 A76 I81 | F10-M78 HydrophobicContact CE1-SD 4.17Å; F10-M78 HydrophobicContact CZ-SD 4.14Å; P20-M78 HydrophobicContact CB-SD 4.46Å; P20-M78 HydrophobicContact CG-CG 3.88Å; P20-M78 HydrophobicContact CG-SD 3.52Å; P20-M78 VanDerWaalsContact CG-SD 3.52Å; Y58-M78 HydrophobicContact CE2-CE 4.31Å; Y58-M78 HydrophobicContact CE2-SD 4.07Å; Y58-M78 WeakPolarHBondContact OH-CE 3.47Å; G66-M78 VanDerWaalsContact CA-CE 3.44Å; G66-M78 VanDerWaalsContact CA-SD 3.5Å; G66-M78 WeakPolarHBondContact O-CE 3.41Å; F74-M78 HydrophobicContact CD1-CG 4.07Å; F74-M78 HydrophobicContact CE1-CG 3.64Å; F74-M78 HydrophobicContact CE1-SD 4.24Å; F74-M78 HydrophobicContact CZ-CG 4.06Å; F74-M78 HydrophobicContact CZ-SD 4.2Å; F74-M78 WeakPolarHBondContact O-CB 3.39Å; F74-M78 WeakPolarHBondContact O-CG 3.41Å; F74-M78 PolarHBondContact O-N 3.23Å; M75-M78 PolarHBondContact O-N 2.76Å; A76-M78 VanDerWaalsContact C-N 3.33Å; A76-M78 PolarHBondContact O-N 3.23Å; M78-I81 WeakPolarHBondContact O-CG2 3.25Å |
| 79 | N | 92.9 | Very high | 90.8 | Very high | 112 Ų | 112 | 55.7 Ų | 55.7 | 60% | 0.599 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -74.4 | -45.3 | 173.6 | -169.6 | 11.3 | 0 | 0 | 0 | 110.8 | M75 A76 I81 E82 A83 | M75-N79 PolarHBondContact O-N 2.79Å; A76-N79 PolarHBondContact O-N 3.06Å; N79-I81 PolarHBondContact O-N 3.07Å; N79-E82 PolarHBondContact O-N 2.89Å; N79-A83 WeakPolarHBondContact O-CB 3.37Å; N79-A83 PolarHBondContact O-N 3Å |
| 80 | E | 95.2 | Very high | 91.2 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -37.2 | -175.1 | -171 | -178.1 | 94 | 0 | 0 | 113.8 | Y42 G43 Y45 A76 E82 N84 I87 | Y42-E80 WeakPolarHBondContact CA-OE1 3.35Å; Y42-E80 VanDerWaalsContact CB-OE1 3.3Å; Y42-E80 WeakPolarHBondContact CB-OE1 3.41Å; Y42-E80 HydrophobicContact CD1-CB 4.36Å; Y42-E80 HydrophobicContact CD1-CG 3.88Å; Y42-E80 WeakPolarHBondContact CD1-OE1 3.44Å; G43-E80 PolarHBondContact N-OE1 3.06Å; Y45-E80 WeakPolarHBondContact CE1-OE1 3.44Å; Y45-E80 WeakPolarHBondContact CE1-OE2 3.42Å; Y45-E80 PolarHBondContact OH-OE2 3.49Å; A76-E80 VanDerWaalsContact O-CB 3.29Å; A76-E80 WeakPolarHBondContact O-CB 3.45Å; A76-E80 PolarHBondContact O-N 3.28Å; E80-E82 PolarHBondContact O-N 3.4Å; E80-N84 CarbonylContact O-C 3.52Å; E80-N84 WeakPolarHBondContact O-CA 3.45Å; E80-N84 PolarHBondContact O-N 3.23Å; E80-I87 HydrophobicContact CG-CG2 4.19Å |
| 81 | I | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.6 | -19.7 | 175 | -170.1 | 165.7 | 0 | 0 | 0 | 113.4 | K8 P20 A21 Y42 Y58 A77 M78 N79 | K8-I81 HydrophobicContact CB-CD1 4.17Å; K8-I81 HydrophobicContact CD-CD1 4.26Å; K8-I81 HydrophobicContact CD-CG1 3.72Å; K8-I81 HydrophobicContact CG-CD1 4.1Å; K8-I81 HydrophobicContact CG-CG1 3.95Å; P20-I81 HydrophobicContact CB-CB 4.38Å; P20-I81 HydrophobicContact CB-CD1 4.04Å; P20-I81 HydrophobicContact CB-CG2 4.08Å; A21-I81 WeakPolarHBondContact O-CD1 3.28Å; Y42-I81 HydrophobicContact CD1-CB 4.37Å; Y42-I81 HydrophobicContact CD2-CB 3.61Å; Y42-I81 HydrophobicContact CD2-CD1 3.72Å; Y42-I81 HydrophobicContact CD2-CG1 3.74Å; Y42-I81 HydrophobicContact CE1-CB 4.46Å; Y42-I81 HydrophobicContact CE2-CB 3.72Å; Y42-I81 HydrophobicContact CE2-CD1 3.46Å; Y42-I81 VanDerWaalsContact CE2-CD1 3.46Å; Y42-I81 HydrophobicContact CE2-CG1 3.36Å; Y42-I81 HydrophobicContact CG-CB 3.95Å; Y58-I81 HydrophobicContact CD1-CD1 4.31Å; Y58-I81 HydrophobicContact CD2-CD1 3.69Å; Y58-I81 HydrophobicContact CE1-CD1 4.48Å; Y58-I81 HydrophobicContact CE1-CG2 4.26Å; Y58-I81 HydrophobicContact CE2-CD1 3.88Å; Y58-I81 HydrophobicContact CE2-CG2 3.92Å; Y58-I81 HydrophobicContact CG-CD1 3.92Å; Y58-I81 WeakPolarHBondContact OH-CG2 3.33Å; A77-I81 WeakPolarHBondContact O-CG2 3.46Å; A77-I81 PolarHBondContact O-N 2.66Å; M78-I81 WeakPolarHBondContact O-CG2 3.25Å; N79-I81 PolarHBondContact O-N 3.07Å |
| 82 | E | 93.5 | Very high | 91.4 | Very high | 89 Ų | 89 | 53.7 Ų | 53.7 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -100.4 | -40.6 | -179.6 | -56.3 | -163.6 | 171.3 | 0 | 0 | 111.6 | Y58 K62 N79 E80 | Y58-E82 HydrophobicContact CE1-CG 4.33Å; Y58-E82 VanDerWaalsContact CE1-OE1 3.31Å; Y58-E82 WeakPolarHBondContact CE1-OE1 3.42Å; Y58-E82 PolarHBondContact OH-OE1 2.97Å; K62-E82 WeakPolarHBondContact CD-OE1 3.26Å; K62-E82 WeakPolarHBondContact CE-OE1 3.45Å; K62-E82 IonicContact NZ-OE1 2.75Å; K62-E82 PolarHBondContact NZ-OE1 3.4Å; K62-E82 IonicContact NZ-OE2 2.91Å; K62-E82 PolarHBondContact NZ-OE2 3.4Å; N79-E82 PolarHBondContact O-N 2.89Å; E80-E82 PolarHBondContact O-N 3.4Å |
| 83 | A | 93.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 51 Ų | 51 | 50% | 0.496 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -79.9 | -38.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | N79 | N79-A83 WeakPolarHBondContact O-CB 3.37Å; N79-A83 PolarHBondContact O-N 3Å |
| 84 | N | 91.3 | Very high | 91.1 | Very high | 98 Ų | 98 | 51 Ų | 51 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | trans | -140.5 | 56.7 | -170.7 | -73.6 | -78.7 | 0 | 0 | 0 | 113.4 | E80 G86 I87 | E80-N84 CarbonylContact O-C 3.52Å; E80-N84 WeakPolarHBondContact O-CA 3.45Å; E80-N84 PolarHBondContact O-N 3.23Å; N84-G86 PolarHBondContact O-N 3.19Å; N84-G86 VanDerWaalsContact O-N 3.09Å; N84-I87 HydrophobicContact CB-CB 4.37Å; N84-I87 WeakPolarHBondContact O-CB 3.4Å; N84-I87 VanDerWaalsContact O-CG2 3.22Å; N84-I87 WeakPolarHBondContact O-CG2 3.44Å; N84-I87 PolarHBondContact O-N 3.02Å; N84-I87 VanDerWaalsContact O-N 3.08Å | ||
| 85 | P | 92.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 32% | 0.318 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.6 | -179.1 | 24 | -34.5 | 0 | 0 | 0 | 114.1 | R22 Y42 I87 | R22-P85 PolarHBondContact NH1-O 3Å; Y42-P85 WeakPolarHBondContact OH-CA 3.41Å; Y42-P85 PolarHBondContact OH-O 3.28Å; P85-I87 VanDerWaalsContact C-N 3.34Å; P85-I87 PolarHBondContact O-N 3.35Å |
| 86 | G | 89.5 | Confident | 90.8 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | N84 Y88 M89 E92 | N84-G86 PolarHBondContact O-N 3.19Å; N84-G86 VanDerWaalsContact O-N 3.09Å; G86-Y88 PolarHBondContact O-N 2.71Å; G86-Y88 VanDerWaalsContact O-N 3.17Å; G86-M89 WeakPolarHBondContact O-CB 3.46Å; G86-M89 PolarHBondContact O-N 3.29Å; G86-E92 WeakPolarHBondContact CA-OE2 3.35Å |
| 87 | I | 92.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.138 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 119.4 | -173.7 | -167.7 | 168.3 | 0 | 0 | 0 | 112.2 | R22 F40 Y42 Y45 E80 N84 P85 M89 | R22-I87 PolarHBondContact NH1-O 3Å; R22-I87 PolarHBondContact NH2-O 2.92Å; F40-I87 HydrophobicContact CE1-CG2 4.23Å; F40-I87 HydrophobicContact CZ-CG2 4.13Å; Y42-I87 HydrophobicContact CD1-CG2 4.13Å; Y42-I87 HydrophobicContact CE1-CG2 4.04Å; Y45-I87 HydrophobicContact CE1-CD1 4.02Å; E80-I87 HydrophobicContact CG-CG2 4.19Å; N84-I87 HydrophobicContact CB-CB 4.37Å; N84-I87 WeakPolarHBondContact O-CB 3.4Å; N84-I87 VanDerWaalsContact O-CG2 3.22Å; N84-I87 WeakPolarHBondContact O-CG2 3.44Å; N84-I87 PolarHBondContact O-N 3.02Å; N84-I87 VanDerWaalsContact O-N 3.08Å; P85-I87 VanDerWaalsContact C-N 3.34Å; P85-I87 PolarHBondContact O-N 3.35Å; I87-M89 VanDerWaalsContact C-N 3.26Å; I87-M89 PolarHBondContact O-N 2.89Å |
| 88 | Y | 89.7 | Confident | 90 | Very high | 54 Ų | 54 | 59.7 Ų | 59.7 | 21% | 0.212 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 28.6 | -168.6 | -49.1 | -69.4 | 0 | 0 | 0 | 115.7 | R22 F40 Y45 G86 D93 R95 A96 F99 | R22-Y88 PolarHBondContact NH2-O 2.69Å; R22-Y88 VanDerWaalsContact NH2-O 3.13Å; F40-Y88 HydrophobicContact CE2-CD2 4.08Å; F40-Y88 HydrophobicContact CZ-CD2 4.11Å; Y45-Y88 HydrophobicContact CD1-CD2 4.16Å; Y45-Y88 AromaticContact CD1-CE2 3.92Å; Y45-Y88 HydrophobicContact CD1-CE2 3.92Å; Y45-Y88 HydrophobicContact CE1-CE2 4.15Å; Y45-Y88 HydrophobicContact CG-CE2 4.31Å; G86-Y88 PolarHBondContact O-N 2.71Å; G86-Y88 VanDerWaalsContact O-N 3.17Å; Y88-D93 PolarHBondContact N-OD2 3.33Å; Y88-R95 HydrophobicContact CD1-CB 4.09Å; Y88-R95 HydrophobicContact CE1-CB 4Å; Y88-A96 VanDerWaalsContact C-CB 3.46Å; Y88-A96 WeakPolarHBondContact O-CB 3.33Å; Y88-F99 HydrophobicContact CD1-CB 3.55Å; Y88-F99 HydrophobicContact CD1-CD1 4.32Å; Y88-F99 HydrophobicContact CD1-CD2 4.03Å; Y88-F99 AromaticContact CD1-CG 3.71Å; Y88-F99 HydrophobicContact CD1-CG 3.71Å; Y88-F99 HydrophobicContact CD2-CD2 4.14Å; Y88-F99 HydrophobicContact CD2-CE2 4.23Å; Y88-F99 HydrophobicContact CD2-CG 4.3Å; Y88-F99 HydrophobicContact CD2-CZ 4.49Å; Y88-F99 HydrophobicContact CE1-CB 4.09Å; Y88-F99 HydrophobicContact CE1-CD2 4.19Å; Y88-F99 HydrophobicContact CE1-CG 4.27Å; Y88-F99 HydrophobicContact CE2-CD2 4.31Å; Y88-F99 HydrophobicContact CE2-CE2 4.45Å; Y88-F99 HydrophobicContact CG-CB 4.07Å; Y88-F99 AromaticContact CG-CD1 3.95Å; Y88-F99 HydrophobicContact CG-CD1 3.95Å; Y88-F99 HydrophobicContact CG-CD2 4Å; Y88-F99 HydrophobicContact CG-CE1 4.42Å; Y88-F99 HydrophobicContact CG-CE2 4.46Å; Y88-F99 AromaticContact CG-CG 3.73Å; Y88-F99 HydrophobicContact CG-CG 3.73Å |
| 89 | M | 91.1 | Very high | 89.8 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | trans | -83.8 | 129.1 | 169.8 | -157.7 | -169.1 | -47.1 | 0 | 0 | 110.6 | P25 G86 I87 G91 E92 D93 A96 | P25-M89 HydrophobicContact CG-CG 3.57Å; P25-M89 HydrophobicContact CG-SD 4.02Å; G86-M89 WeakPolarHBondContact O-CB 3.46Å; G86-M89 PolarHBondContact O-N 3.29Å; I87-M89 VanDerWaalsContact C-N 3.26Å; I87-M89 PolarHBondContact O-N 2.89Å; M89-G91 PolarHBondContact O-N 3.33Å; M89-E92 HydrophobicContact CB-CB 4.31Å; M89-E92 HydrophobicContact CB-CG 4.49Å; M89-E92 WeakPolarHBondContact CE-OE2 3.34Å; M89-E92 PolarHBondContact O-N 3.5Å; M89-E92 VanDerWaalsContact O-N 3.07Å; M89-E92 HydrophobicContact SD-CG 4.47Å; M89-D93 PolarHBondContact O-N 2.88Å; M89-A96 VanDerWaalsContact C-CB 3.48Å; M89-A96 WeakPolarHBondContact O-CB 3.48Å | ||
| 90 | L | 85.7 | Confident | 89.6 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 116.4 | -179.2 | -177.8 | 63.4 | 0 | 0 | 0 | 110.9 | P25 P27 E97 L100 I109 | P25-L90 HydrophobicContact CG-CB 4.32Å; P27-L90 HydrophobicContact CG-CD2 4.07Å; L90-E97 HydrophobicContact CD1-CG 3.62Å; L90-L100 HydrophobicContact CB-CD1 4Å; L90-I109 HydrophobicContact CD2-CD1 4.4Å |
| 91 | G | 82.8 | Confident | 89.1 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 66% | 0.66 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | -6.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | M89 | M89-G91 PolarHBondContact O-N 3.33Š|
| 92 | E | 85.8 | Confident | 88.8 | Confident | 128 Ų | 128 | 63 Ų | 63 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | -47.1 | 172.4 | -60.8 | -175.1 | 168.7 | 0 | 0 | 111.4 | G86 M89 | G86-E92 WeakPolarHBondContact CA-OE2 3.35Å; M89-E92 HydrophobicContact CB-CB 4.31Å; M89-E92 HydrophobicContact CB-CG 4.49Å; M89-E92 WeakPolarHBondContact CE-OE2 3.34Å; M89-E92 PolarHBondContact O-N 3.5Å; M89-E92 VanDerWaalsContact O-N 3.07Å; M89-E92 HydrophobicContact SD-CG 4.47Å |
| 93 | D | 86.6 | Confident | 88.5 | Confident | 16 Ų | 16 | 62.2 Ų | 62.2 | 9% | 0.086 | 34% | 0.337 | C | S | . | . | trans | -103 | 119.7 | 178.6 | -174.6 | -20.9 | 0 | 0 | 0 | 110.1 | Y88 M89 R95 A96 | Y88-D93 PolarHBondContact N-OD2 3.33Å; M89-D93 PolarHBondContact O-N 2.88Å; D93-R95 PolarHBondContact O-N 2.87Å; D93-R95 VanDerWaalsContact O-N 3.11Å; D93-R95 WeakPolarHBondContact OD1-CB 3.43Å; D93-R95 WeakPolarHBondContact OD1-CG 3.45Å; D93-R95 IonicContact OD1-CZ 2.84Å; D93-R95 PolarHBondContact OD1-N 3.42Å; D93-R95 IonicContact OD1-NE 2.92Å; D93-R95 PolarHBondContact OD1-NE 3.36Å; D93-R95 IonicContact OD1-NH2 2.76Å; D93-R95 IonicContact OD2-CZ 2.59Å; D93-R95 IonicContact OD2-NE 2.85Å; D93-R95 PolarHBondContact OD2-NE 2.9Å; D93-R95 IonicContact OD2-NH2 2.67Å; D93-R95 PolarHBondContact OD2-NH2 2.97Å; D93-A96 HydrophobicContact CB-CB 4.36Å; D93-A96 WeakPolarHBondContact O-CB 3.5Å; D93-A96 PolarHBondContact O-N 2.83Å | ||
| 94 | P | 87.1 | Confident | 88.1 | Confident | 120 Ų | 120 | 60 Ų | 60 | 78% | 0.779 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.5 | 179.3 | 26.3 | -34.7 | 0 | 0 | 0 | 113.1 | A96 | P94-A96 VanDerWaalsContact C-N 3.28Š|
| 95 | R | 88.3 | Confident | 87.3 | Confident | 137 Ų | 137 | 61.2 Ų | 61.2 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.4 | 174.8 | -52.6 | 167 | -63.8 | -174.1 | 5.9 | 112.2 | Y88 D93 E97 N98 F99 | Y88-R95 HydrophobicContact CD1-CB 4.09Å; Y88-R95 HydrophobicContact CE1-CB 4Å; D93-R95 PolarHBondContact O-N 2.87Å; D93-R95 VanDerWaalsContact O-N 3.11Å; D93-R95 WeakPolarHBondContact OD1-CB 3.43Å; D93-R95 WeakPolarHBondContact OD1-CG 3.45Å; D93-R95 IonicContact OD1-CZ 2.84Å; D93-R95 PolarHBondContact OD1-N 3.42Å; D93-R95 IonicContact OD1-NE 2.92Å; D93-R95 PolarHBondContact OD1-NE 3.36Å; D93-R95 IonicContact OD1-NH2 2.76Å; D93-R95 IonicContact OD2-CZ 2.59Å; D93-R95 IonicContact OD2-NE 2.85Å; D93-R95 PolarHBondContact OD2-NE 2.9Å; D93-R95 IonicContact OD2-NH2 2.67Å; D93-R95 PolarHBondContact OD2-NH2 2.97Å; R95-E97 VanDerWaalsContact C-N 3.34Å; R95-E97 PolarHBondContact O-N 2.87Å; R95-N98 PolarHBondContact O-N 2.96Å; R95-F99 WeakPolarHBondContact O-CB 3.47Å; R95-F99 PolarHBondContact O-N 3.06Å |
| 96 | A | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -38.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y88 M89 D93 P94 F99 L100 | Y88-A96 VanDerWaalsContact C-CB 3.46Å; Y88-A96 WeakPolarHBondContact O-CB 3.33Å; M89-A96 VanDerWaalsContact C-CB 3.48Å; M89-A96 WeakPolarHBondContact O-CB 3.48Å; D93-A96 HydrophobicContact CB-CB 4.36Å; D93-A96 WeakPolarHBondContact O-CB 3.5Å; D93-A96 PolarHBondContact O-N 2.83Å; P94-A96 VanDerWaalsContact C-N 3.28Å; A96-F99 PolarHBondContact O-N 3.16Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.48Å; A96-L100 WeakPolarHBondContact O-CG 3.49Å; A96-L100 PolarHBondContact O-N 2.82Å |
| 97 | E | 85.6 | Confident | 85 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.4 | -52.8 | 179.6 | -66 | -166.4 | -175.1 | 0 | 0 | 111.4 | L90 R95 F99 L100 H101 | L90-E97 HydrophobicContact CD1-CG 3.62Å; R95-E97 VanDerWaalsContact C-N 3.34Å; R95-E97 PolarHBondContact O-N 2.87Å; E97-F99 VanDerWaalsContact C-N 3.29Å; E97-F99 PolarHBondContact O-N 3.17Å; E97-L100 PolarHBondContact O-N 3.18Å; E97-H101 WeakPolarHBondContact O-CB 3.44Å; E97-H101 VanDerWaalsContact O-CG 3.23Å; E97-H101 PolarHBondContact O-N 3.41Å; E97-H101 PolarHBondContact O-ND1 3.46Å |
| 98 | N | 87.6 | Confident | 83.4 | Confident | 130 Ų | 130 | 69.9 Ų | 69.9 | 70% | 0.695 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.9 | -35.4 | 177.8 | -73 | -29.6 | 0 | 0 | 0 | 112.8 | R95 | R95-N98 PolarHBondContact O-N 2.96Å |
| 99 | F | 90.8 | Very high | 81.8 | Confident | 27 Ų | 27 | 69 Ų | 69 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.2 | -49.8 | 173 | 173.1 | -94.3 | 0 | 0 | 0 | 111.8 | F40 Y45 V47 Y88 R95 A96 E97 H101 Q102 F103 | F40-F99 AromaticContact CD2-CE1 3.89Å; F40-F99 HydrophobicContact CD2-CE1 3.89Å; F40-F99 HydrophobicContact CD2-CZ 4.14Å; F40-F99 AromaticContact CE2-CE1 3.71Å; F40-F99 HydrophobicContact CE2-CE1 3.71Å; F40-F99 AromaticContact CE2-CZ 3.73Å; F40-F99 HydrophobicContact CE2-CZ 3.73Å; Y45-F99 WeakPolarHBondContact O-CZ 3.45Å; V47-F99 HydrophobicContact CG1-CE1 4.07Å; V47-F99 HydrophobicContact CG1-CZ 4.4Å; Y88-F99 HydrophobicContact CD1-CB 3.55Å; Y88-F99 HydrophobicContact CD1-CD1 4.32Å; Y88-F99 HydrophobicContact CD1-CD2 4.03Å; Y88-F99 AromaticContact CD1-CG 3.71Å; Y88-F99 HydrophobicContact CD1-CG 3.71Å; Y88-F99 HydrophobicContact CD2-CD2 4.14Å; Y88-F99 HydrophobicContact CD2-CE2 4.23Å; Y88-F99 HydrophobicContact CD2-CG 4.3Å; Y88-F99 HydrophobicContact CD2-CZ 4.49Å; Y88-F99 HydrophobicContact CE1-CB 4.09Å; Y88-F99 HydrophobicContact CE1-CD2 4.19Å; Y88-F99 HydrophobicContact CE1-CG 4.27Å; Y88-F99 HydrophobicContact CE2-CD2 4.31Å; Y88-F99 HydrophobicContact CE2-CE2 4.45Å; Y88-F99 HydrophobicContact CG-CB 4.07Å; Y88-F99 AromaticContact CG-CD1 3.95Å; Y88-F99 HydrophobicContact CG-CD1 3.95Å; Y88-F99 HydrophobicContact CG-CD2 4Å; Y88-F99 HydrophobicContact CG-CE1 4.42Å; Y88-F99 HydrophobicContact CG-CE2 4.46Å; Y88-F99 AromaticContact CG-CG 3.73Å; Y88-F99 HydrophobicContact CG-CG 3.73Å; R95-F99 WeakPolarHBondContact O-CB 3.47Å; R95-F99 PolarHBondContact O-N 3.06Å; A96-F99 PolarHBondContact O-N 3.16Å; E97-F99 VanDerWaalsContact C-N 3.29Å; E97-F99 PolarHBondContact O-N 3.17Å; F99-H101 PolarHBondContact O-N 3.35Å; F99-Q102 VanDerWaalsContact O-CB 3.25Å; F99-Q102 WeakPolarHBondContact O-CB 3.34Å; F99-Q102 PolarHBondContact O-N 3.45Å; F99-Q102 VanDerWaalsContact O-N 3.14Å; F99-F103 HydrophobicContact CD2-CE2 4.22Å; F99-F103 HydrophobicContact CE1-CD2 4.37Å; F99-F103 HydrophobicContact CE1-CE2 4.04Å; F99-F103 AromaticContact CE2-CE2 3.71Å; F99-F103 HydrophobicContact CE2-CE2 3.71Å; F99-F103 HydrophobicContact CE2-CZ 4.35Å; F99-F103 HydrophobicContact CZ-CD2 4.37Å; F99-F103 AromaticContact CZ-CE2 3.6Å; F99-F103 HydrophobicContact CZ-CE2 3.6Å; F99-F103 HydrophobicContact CZ-CZ 4.28Å; F99-F103 WeakPolarHBondContact O-CD2 3.47Å |
| 100 | L | 87.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.4 | -33.4 | -176.2 | -66.9 | 174.3 | 0 | 0 | 0 | 112.4 | N24 L26 L90 A96 E97 Q102 F103 Y104 F106 | N24-L100 VanDerWaalsContact ND2-CD2 3.32Å; N24-L100 WeakPolarHBondContact ND2-CD2 3.4Å; L26-L100 HydrophobicContact CD2-CD1 4.33Å; L26-L100 HydrophobicContact CD2-CD2 4.33Å; L90-L100 HydrophobicContact CB-CD1 4Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.48Å; A96-L100 WeakPolarHBondContact O-CG 3.49Å; A96-L100 PolarHBondContact O-N 2.82Å; E97-L100 PolarHBondContact O-N 3.18Å; L100-Q102 PolarHBondContact O-N 3.07Å; L100-Q102 VanDerWaalsContact O-N 3.12Å; L100-F103 PolarHBondContact O-N 2.85Å; L100-Y104 HydrophobicContact CB-CD2 4.34Å; L100-Y104 HydrophobicContact CD2-CD2 4.17Å; L100-Y104 HydrophobicContact CD2-CE2 3.98Å; L100-Y104 PolarHBondContact O-N 3.16Å; L100-F106 HydrophobicContact CB-CE1 3.75Å; L100-F106 HydrophobicContact CB-CZ 3.86Å |
| 101 | H | 85.7 | Confident | 78.2 | Confident | 54 Ų | 54 | 75 Ų | 75 | 25% | 0.25 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19.7 | 171.4 | -73 | 136.3 | 0 | 0 | 0 | 113.1 | E97 F99 F103 F106 | E97-H101 WeakPolarHBondContact O-CB 3.44Å; E97-H101 VanDerWaalsContact O-CG 3.23Å; E97-H101 PolarHBondContact O-N 3.41Å; E97-H101 PolarHBondContact O-ND1 3.46Å; F99-H101 PolarHBondContact O-N 3.35Å; H101-F103 VanDerWaalsContact C-N 3.3Å; H101-F106 AromaticContact CD2-CD1 3.9Å; H101-F106 AromaticContact CD2-CD2 3.89Å; H101-F106 AromaticContact CD2-CE1 3.6Å; H101-F106 AromaticContact CD2-CE2 3.6Å; H101-F106 AromaticContact CD2-CZ 3.44Å; H101-F106 VanDerWaalsContact CD2-CZ 3.44Å; H101-F106 WeakPolarHBondContact CD2-CZ 3.42Å; H101-F106 AromaticContact CE1-CE2 3.96Å; H101-F106 AromaticContact CG-CZ 3.93Å; H101-F106 AromaticContact NE2-CD2 3.62Å; H101-F106 AromaticContact NE2-CE2 3.28Å; H101-F106 VanDerWaalsContact NE2-CE2 3.28Å; H101-F106 WeakPolarHBondContact NE2-CE2 3.35Å; H101-F106 AromaticContact NE2-CZ 3.6Å |
| 102 | Q | 87.2 | Confident | 76.8 | Confident | 150 Ų | 150 | 79 Ų | 79 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -23.3 | 173.8 | -171.4 | 170.9 | 115 | 0 | 0 | 113.2 | F99 L100 | F99-Q102 VanDerWaalsContact O-CB 3.25Å; F99-Q102 WeakPolarHBondContact O-CB 3.34Å; F99-Q102 PolarHBondContact O-N 3.45Å; F99-Q102 VanDerWaalsContact O-N 3.14Å; L100-Q102 PolarHBondContact O-N 3.07Å; L100-Q102 VanDerWaalsContact O-N 3.12Å |
| 103 | F | 87.5 | Confident | 74.8 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 31% | 0.311 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -29.2 | -172.7 | -60.2 | -85 | 0 | 0 | 0 | 113.7 | V47 F99 L100 H101 | V47-F103 HydrophobicContact CG2-CB 3.42Å; V47-F103 VanDerWaalsContact CG2-CB 3.42Å; V47-F103 HydrophobicContact CG2-CD1 3.45Å; V47-F103 VanDerWaalsContact CG2-CD1 3.45Å; V47-F103 HydrophobicContact CG2-CD2 3.7Å; V47-F103 HydrophobicContact CG2-CE1 4.05Å; V47-F103 HydrophobicContact CG2-CE2 4.28Å; V47-F103 HydrophobicContact CG2-CG 3.24Å; V47-F103 HydrophobicContact CG2-CZ 4.43Å; F99-F103 HydrophobicContact CD2-CE2 4.22Å; F99-F103 HydrophobicContact CE1-CD2 4.37Å; F99-F103 HydrophobicContact CE1-CE2 4.04Å; F99-F103 AromaticContact CE2-CE2 3.71Å; F99-F103 HydrophobicContact CE2-CE2 3.71Å; F99-F103 HydrophobicContact CE2-CZ 4.35Å; F99-F103 HydrophobicContact CZ-CD2 4.37Å; F99-F103 AromaticContact CZ-CE2 3.6Å; F99-F103 HydrophobicContact CZ-CE2 3.6Å; F99-F103 HydrophobicContact CZ-CZ 4.28Å; F99-F103 WeakPolarHBondContact O-CD2 3.47Å; L100-F103 PolarHBondContact O-N 2.85Å; H101-F103 VanDerWaalsContact C-N 3.3Å |
| 104 | Y | 85.9 | Confident | 73 | Confident | 15 Ų | 15 | 77.8 Ų | 77.8 | 6% | 0.059 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -124.8 | 127.7 | -174.4 | -56.1 | -73.9 | 0 | 0 | 0 | 110.4 | L26 V30 V47 F49 L100 F106 | L26-Y104 HydrophobicContact CD1-CD1 4.05Å; L26-Y104 HydrophobicContact CD1-CD2 4.4Å; L26-Y104 HydrophobicContact CD1-CE1 3.62Å; L26-Y104 HydrophobicContact CD1-CE2 4.02Å; L26-Y104 HydrophobicContact CD1-CG 4.41Å; L26-Y104 HydrophobicContact CD2-CD2 3.69Å; L26-Y104 HydrophobicContact CD2-CE2 3.57Å; L26-Y104 HydrophobicContact CD2-CG 4.26Å; L26-Y104 HydrophobicContact CG-CE2 4.45Å; V30-Y104 HydrophobicContact CG1-CD1 3.79Å; V30-Y104 HydrophobicContact CG1-CE1 4.49Å; V30-Y104 HydrophobicContact CG1-CG 4.32Å; V47-Y104 HydrophobicContact CB-CE2 4.24Å; V47-Y104 HydrophobicContact CG2-CE2 3.75Å; F49-Y104 HydrophobicContact CE1-CE1 4.25Å; F49-Y104 HydrophobicContact CE2-CE1 4.13Å; F49-Y104 HydrophobicContact CZ-CD1 4.3Å; F49-Y104 AromaticContact CZ-CE1 3.65Å; F49-Y104 HydrophobicContact CZ-CE1 3.65Å; L100-Y104 HydrophobicContact CB-CD2 4.34Å; L100-Y104 HydrophobicContact CD2-CD2 4.17Å; L100-Y104 HydrophobicContact CD2-CE2 3.98Å; L100-Y104 PolarHBondContact O-N 3.16Å; Y104-F106 VanDerWaalsContact O-CD1 3.26Å; Y104-F106 WeakPolarHBondContact O-CD1 3.45Å; Y104-F106 PolarHBondContact O-N 3.32Å; Y104-F106 VanDerWaalsContact O-N 3.11Å |
| 105 | D | 74.5 | Confident | 71 | Confident | 123 Ų | 123 | 81.2 Ų | 81.2 | 66% | 0.658 | 41% | 0.414 | S | S | * | . | trans | -80.5 | 86.5 | 177.1 | -58.4 | -13.4 | 0 | 0 | 0 | 108.4 | K257 | D105-K257 IonicContact OD2-NZ 2.74Å; D105-K257 PolarHBondContact OD2-NZ 2.82Å | ||
| 106 | F | 71.6 | Confident | 69.1 | Low | 22 Ų | 22 | 79.6 Ų | 79.6 | 10% | 0.096 | 41% | 0.412 | C | S | . | . | trans | -126.1 | 167.3 | 175.4 | 66 | -83.3 | 0 | 0 | 0 | 112.9 | P27 V30 L100 H101 Y104 | P27-F106 HydrophobicContact CG-CD2 3.73Å; P27-F106 HydrophobicContact CG-CE2 4.08Å; P27-F106 HydrophobicContact CG-CG 4.12Å; V30-F106 HydrophobicContact CG2-CB 3.84Å; V30-F106 HydrophobicContact CG2-CD1 4.28Å; V30-F106 HydrophobicContact CG2-CG 4.32Å; L100-F106 HydrophobicContact CB-CE1 3.75Å; L100-F106 HydrophobicContact CB-CZ 3.86Å; H101-F106 AromaticContact CD2-CD1 3.9Å; H101-F106 AromaticContact CD2-CD2 3.89Å; H101-F106 AromaticContact CD2-CE1 3.6Å; H101-F106 AromaticContact CD2-CE2 3.6Å; H101-F106 AromaticContact CD2-CZ 3.44Å; H101-F106 VanDerWaalsContact CD2-CZ 3.44Å; H101-F106 WeakPolarHBondContact CD2-CZ 3.42Å; H101-F106 AromaticContact CE1-CE2 3.96Å; H101-F106 AromaticContact CG-CZ 3.93Å; H101-F106 AromaticContact NE2-CD2 3.62Å; H101-F106 AromaticContact NE2-CE2 3.28Å; H101-F106 VanDerWaalsContact NE2-CE2 3.28Å; H101-F106 WeakPolarHBondContact NE2-CE2 3.35Å; H101-F106 AromaticContact NE2-CZ 3.6Å; Y104-F106 VanDerWaalsContact O-CD1 3.26Å; Y104-F106 WeakPolarHBondContact O-CD1 3.45Å; Y104-F106 PolarHBondContact O-N 3.32Å; Y104-F106 VanDerWaalsContact O-N 3.11Å | ||
| 107 | K | 62.5 | Low | 66.8 | Low | 156 Ų | 156 | 81.9 Ų | 81.9 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | trans | -84.1 | 136.7 | 175.7 | -67.7 | 176.5 | -179.9 | 173.4 | 0 | 110.4 | I109 | K107-I109 PolarHBondContact O-N 2.8Š| ||
| 108 | P | 58.6 | Low | 65 | Low | 96 Ų | 96 | 87.8 Ų | 87.8 | 62% | 0.623 | 45% | 0.446 | S | S | * | . | trans | -51.7 | 135.2 | 171.2 | -26.3 | 34.2 | 0 | 0 | 0 | 111.3 | G110 | P108-G110 PolarHBondContact O-N 3.13Š| ||
| 109 | I | 54.8 | Low | 63.1 | Low | 36 Ų | 36 | 89 Ų | 89 | 19% | 0.185 | 44% | 0.441 | C | S | . | . | trans | -80.8 | 103.5 | -175.8 | -88.2 | 169.6 | 0 | 0 | 0 | 108.7 | P27 L90 K107 C113 | P27-I109 HydrophobicContact CB-CD1 4.47Å; P27-I109 HydrophobicContact CG-CD1 3.96Å; L90-I109 HydrophobicContact CD2-CD1 4.4Å; K107-I109 PolarHBondContact O-N 2.8Å; I109-C113 HydrophobicContact CB-CB 4.42Å; I109-C113 HydrophobicContact CD1-CB 4.21Å; I109-C113 HydrophobicContact CG1-CB 4.08Å; I109-C113 HydrophobicContact CG2-CB 3.59Å | ||
| 110 | G | 50.5 | Low | 61 | Low | 54 Ų | 54 | 93 Ų | 93 | 56% | 0.557 | 46% | 0.46 | S | S | * | . | trans | -56 | 147.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P108 E112 C113 | P108-G110 PolarHBondContact O-N 3.13Å; G110-E112 PolarHBondContact O-N 3.3Å; G110-C113 PolarHBondContact O-N 2.96Å | ||
| 111 | S | 51.1 | Low | 59 | Low | 116 Ų | 116 | 99.2 Ų | 99.2 | 81% | 0.811 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -2.8 | -164.1 | 45.3 | 0 | 0 | 0 | 0 | 117.5 | ||
| 112 | E | 52.8 | Low | 57 | Low | 147 Ų | 147 | 100.5 Ų | 100.5 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -40.6 | 174.3 | -151.4 | 74.3 | -118.1 | 0 | 0 | 113.7 | G110 V114 R115 | G110-E112 PolarHBondContact O-N 3.3Å; E112-V114 PolarHBondContact O-N 3.44Å; E112-R115 PolarHBondContact O-N 3.48Å |
| 113 | C | 45 | Very low | 54.8 | Low | 29 Ų | 29 | 102.3 Ų | 102.3 | 20% | 0.196 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -25.3 | -160.8 | -166.1 | 0 | 0 | 0 | 0 | 114.8 | I109 G110 R115 Q116 Y117 | I109-C113 HydrophobicContact CB-CB 4.42Å; I109-C113 HydrophobicContact CD1-CB 4.21Å; I109-C113 HydrophobicContact CG1-CB 4.08Å; I109-C113 HydrophobicContact CG2-CB 3.59Å; G110-C113 PolarHBondContact O-N 2.96Å; C113-R115 PolarHBondContact O-N 3.25Å; C113-R115 VanDerWaalsContact O-N 3.13Å; C113-Q116 WeakPolarHBondContact O-CB 3.44Å; C113-Q116 PolarHBondContact O-N 3.32Å; C113-Y117 PolarHBondContact O-N 3.1Å |
| 114 | V | 47.6 | Very low | 52.3 | Low | 90 Ų | 90 | 108.4 Ų | 108.4 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.9 | -34.2 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | E112 Q116 | E112-V114 PolarHBondContact O-N 3.44Å; V114-Q116 VanDerWaalsContact C-N 3.3Å; V114-Q116 PolarHBondContact O-N 2.86Å |
| 115 | R | 46.9 | Very low | 49.9 | Very low | 192 Ų | 192 | 112.7 Ų | 112.7 | 73% | 0.725 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73 | -19 | 177.4 | -61.4 | -176.1 | -174.9 | -122.3 | -1.7 | 113.5 | E112 C113 R119 | E112-R115 PolarHBondContact O-N 3.48Å; C113-R115 PolarHBondContact O-N 3.25Å; C113-R115 VanDerWaalsContact O-N 3.13Å; R115-R119 VanDerWaalsContact O-CB 3.31Å; R115-R119 WeakPolarHBondContact O-CB 3.36Å |
| 116 | Q | 47.9 | Very low | 48.1 | Very low | 102 Ų | 102 | 115.2 Ų | 115.2 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -82.4 | -41.4 | 177.3 | -62.7 | -166.7 | -0.2 | 0 | 0 | 111.9 | C113 V114 K118 R119 Q120 | C113-Q116 WeakPolarHBondContact O-CB 3.44Å; C113-Q116 PolarHBondContact O-N 3.32Å; V114-Q116 VanDerWaalsContact C-N 3.3Å; V114-Q116 PolarHBondContact O-N 2.86Å; Q116-K118 PolarHBondContact O-N 3.06Å; Q116-R119 CarbonylContact O-C 3.6Å; Q116-R119 PolarHBondContact O-N 3.38Å; Q116-Q120 WeakPolarHBondContact O-CG 3.14Å; Q116-Q120 PolarHBondContact O-N 2.94Å |
| 117 | Y | 40.3 | Very low | 46.3 | Very low | 48 Ų | 48 | 120.4 Ų | 120.4 | 19% | 0.188 | 60% | 0.596 | C | S | . | * | H | α-helix | trans | -53.4 | -52.5 | 179.7 | -97 | -90.2 | 0 | 0 | 0 | 112.9 | L26 P27 H28 C113 R119 | L26-Y117 VanDerWaalsContact C-OH 3.27Å; L26-Y117 PolarHBondContact O-OH 3.28Å; P27-Y117 WeakPolarHBondContact CA-OH 3.45Å; H28-Y117 PolarHBondContact N-OH 2.89Å; C113-Y117 PolarHBondContact O-N 3.1Å; Y117-R119 PolarHBondContact O-N 3.29Å |
| 118 | K | 47.6 | Very low | 45.2 | Very low | 185 Ų | 185 | 119.2 Ų | 119.2 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.6 | -18.1 | -179.9 | -155.4 | 162.9 | -172.9 | 168.7 | 0 | 113.4 | Q116 S122 | Q116-K118 PolarHBondContact O-N 3.06Å; K118-S122 WeakPolarHBondContact O-CB 3.48Å; K118-S122 PolarHBondContact O-OG 3.43Å |
| 119 | R | 48.3 | Very low | 44 | Very low | 157 Ų | 157 | 122 Ų | 122 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -102.1 | -19.6 | -175.6 | -167.2 | 176.4 | -69 | -160.4 | -4 | 114 | R115 Q116 Y117 R123 | R115-R119 VanDerWaalsContact O-CB 3.31Å; R115-R119 WeakPolarHBondContact O-CB 3.36Å; Q116-R119 CarbonylContact O-C 3.6Å; Q116-R119 PolarHBondContact O-N 3.38Å; Y117-R119 PolarHBondContact O-N 3.29Å; R119-R123 WeakPolarHBondContact O-CD 3.24Å |
| 120 | Q | 47.3 | Very low | 43.3 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 51% | 0.509 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -74.1 | -47.6 | 170.9 | -73.6 | -78.8 | -2 | 0 | 0 | 110.8 | Q116 | Q116-Q120 WeakPolarHBondContact O-CG 3.14Å; Q116-Q120 PolarHBondContact O-N 2.94Å |
| 121 | Y | 46.3 | Very low | 42.7 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 52% | 0.518 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -81.1 | -24 | -174.3 | -76.8 | -88.2 | 0 | 0 | 0 | 114.3 | P5 R123 | P5-Y121 HydrophobicContact CG-CE1 4.15Å; P5-Y121 HydrophobicContact CG-CE2 4.47Å; Y121-R123 PolarHBondContact O-N 3.16Å |
| 122 | S | 43.3 | Very low | 41.8 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 57% | 0.566 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 17.6 | 177.8 | 80.5 | 0 | 0 | 0 | 0 | 114.7 | K118 | K118-S122 WeakPolarHBondContact O-CB 3.48Å; K118-S122 PolarHBondContact O-OG 3.43Å |
| 123 | R | 40.5 | Very low | 40.8 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 20 | -171.9 | -69.4 | -176.4 | 173 | -171.8 | -3.6 | 113.9 | R119 Y121 | R119-R123 WeakPolarHBondContact O-CD 3.24Å; Y121-R123 PolarHBondContact O-N 3.16Å |
| 124 | K | 35.7 | Very low | 40.2 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 87% | 0.865 | 67% | 0.668 | S | S | * | * | trans | -125.3 | 38.2 | 179.4 | -147.9 | 69.4 | -179.2 | 169.4 | 0 | 113.6 | ||||
| 125 | S | 34.2 | Very low | 39.4 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | trans | -136.9 | 59.2 | 177.2 | 61 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 126 | K | 36.6 | Very low | 38.7 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | trans | -143.9 | 112.1 | 161 | -144.4 | 171.1 | -178.8 | -178.6 | 0 | 103.5 | ||||
| 127 | V | 34 | Very low | 38 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 79% | 0.788 | 70% | 0.695 | S | S | * | * | 60.8 | 69.9 | 61.8 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 128 | D | 39.1 | Very low | 37.5 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | -129.2 | 114.6 | 156.6 | -66 | -59.8 | 0 | 0 | 0 | 105.3 | ||||
| 129 | N | 33.4 | Very low | 36.8 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | -106 | 69 | -179.5 | 177.8 | 48 | 0 | 0 | 0 | 108.4 | Q131 | N129-Q131 PolarHBondContact O-N 3.02Š| ||
| 130 | D | 40.4 | Very low | 36 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -75.6 | 92.9 | -179.3 | -72.4 | -37 | 0 | 0 | 0 | 110.6 | P132 | D130-P132 WeakPolarHBondContact O-CD 3.35Š| ||
| 131 | Q | 37.5 | Very low | 35.2 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | -83.5 | 116.8 | 156.6 | -170.7 | 178.4 | 62.1 | 0 | 0 | 108.1 | N129 | N129-Q131 PolarHBondContact O-N 3.02Š| ||
| 132 | P | 32.2 | Very low | 34.8 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -81.2 | 178 | 176.9 | 35.4 | -36.5 | 0 | 0 | 0 | 111.6 | D130 | D130-P132 WeakPolarHBondContact O-CD 3.35Š| ||
| 133 | L | 33.6 | Very low | 34.4 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | 88 | 134.2 | -176.9 | -55 | 157.8 | 0 | 0 | 0 | 113.4 | ||||
| 134 | S | 31.7 | Very low | 34.4 | Very low | 83 Ų | 83 | 138 Ų | 138 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | cis | 157.2 | 130.4 | -24 | 47 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 135 | T | 31.4 | Very low | 34.8 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | 60.2 | 128 | 169.2 | 65.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 136 | T | 30.5 | Very low | 34.9 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | -168.3 | 147.6 | 72.1 | -76.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 137 | K | 33.3 | Very low | 34.9 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -26.9 | 131.9 | 168.4 | -51.7 | 169.4 | -176.7 | 176.2 | 0 | 118.2 | ||||
| 138 | R | 31 | Very low | 34.9 | Very low | 243 Ų | 243 | 141.4 Ų | 141.4 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | 165 | 145.1 | 131.6 | -92.6 | 166.8 | -70.1 | -174.5 | 3.3 | 108.4 | ||||
| 139 | G | 33.4 | Very low | 34.7 | Very low | 59 Ų | 59 | 141 Ų | 141 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | cis | -169.9 | 145.3 | -7.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 140 | T | 30.8 | Very low | 34.9 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | 101 | 131.6 | 103.3 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 141 | S | 31.1 | Very low | 34.6 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | 62.6 | 147.9 | 175.8 | -85.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 142 | S | 36.7 | Very low | 34.6 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | cis | -165.6 | 147.4 | 4.1 | 37.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 143 | N | 35.9 | Very low | 34.6 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 64.1 | 147.2 | 154.7 | -63 | 40.1 | 0 | 0 | 0 | 117.8 | ||||
| 144 | D | 40.4 | Very low | 34.6 | Very low | 111 Ų | 111 | 134 Ų | 134 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | cis | -152.7 | 162 | -5.3 | -124.5 | -46.1 | 0 | 0 | 0 | 112 | ||||
| 145 | Q | 43.6 | Very low | 34.7 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | trans | 26.4 | 125.3 | 157.7 | -71 | 155 | 72.5 | 0 | 0 | 121.2 | ||||
| 146 | I | 35.7 | Very low | 35.1 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | cis | 104.3 | 151.8 | 47 | -78.3 | 166.4 | 0 | 0 | 0 | 112.5 | ||||
| 147 | N | 36.9 | Very low | 35.3 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 70.1 | 118.5 | -172.1 | -56.4 | -16.2 | 0 | 0 | 0 | 115.4 | ||||
| 148 | R | 33.8 | Very low | 35.6 | Very low | 234 Ų | 234 | 134 Ų | 134 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | cis | 80.4 | 125.4 | -3.7 | -124 | -174.1 | -161.5 | -155.7 | 4.9 | 119.1 | ||||
| 149 | V | 36.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | trans | 82.6 | 148.6 | 160.8 | -157 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 150 | S | 36.1 | Very low | 36.1 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 74.6 | 129.2 | 174.8 | -57 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 151 | D | 34.1 | Very low | 36.5 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | cis | 93.6 | 155.5 | 36.9 | -65.7 | -49.7 | 0 | 0 | 0 | 113.1 | ||||
| 152 | D | 39.2 | Very low | 36.9 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | 65.1 | 125.2 | -166.1 | -72.1 | -50.4 | 0 | 0 | 0 | 115.6 | ||||
| 153 | T | 31 | Very low | 37.1 | Very low | 110 Ų | 110 | 138 Ų | 138 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | 74.2 | 145.6 | 50.3 | 87.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 154 | S | 34.1 | Very low | 37.3 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | 72.6 | 120.7 | 170.9 | -43.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 155 | S | 33.3 | Very low | 37.2 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | 84 | 137.6 | 91.5 | 80.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 156 | E | 39.9 | Very low | 36.9 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | cis | -151.4 | 176.2 | 11.1 | -60.3 | 179.7 | 117.4 | 0 | 0 | 110.5 | ||||
| 157 | I | 35.8 | Very low | 37.1 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 80% | 0.795 | 74% | 0.736 | S | S | * | * | trans | 65.1 | 147.8 | 144.7 | -122.4 | 84.2 | 0 | 0 | 0 | 117.8 | ||||
| 158 | S | 39.1 | Very low | 37.1 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | cis | -152.4 | 141.4 | 2.8 | -156.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 159 | T | 36.7 | Very low | 37.4 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | 44.4 | 128.6 | 126.4 | -41.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 160 | D | 37.4 | Very low | 37.7 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | cis | -149.9 | 173.4 | 31.9 | -145.2 | -6.8 | 0 | 0 | 0 | 116.7 | ||||
| 161 | Q | 40.5 | Very low | 37.8 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | trans | -58.8 | 171.7 | -180 | -56.4 | 156.2 | 75 | 0 | 0 | 113.9 | ||||
| 162 | S | 39.3 | Very low | 37.9 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | -161 | 151.1 | 22.5 | 76.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 163 | R | 39.4 | Very low | 37.9 | Very low | 231 Ų | 231 | 131.8 Ų | 131.8 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | 61.1 | 140.8 | 141.7 | -73.6 | -173.2 | 158.6 | -174.8 | -5.4 | 120.1 | ||||
| 164 | V | 41.1 | Very low | 38.5 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -151.9 | 142.5 | -4.3 | -100.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 165 | N | 37.9 | Very low | 38.7 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | 47.4 | 143.2 | 132.7 | -54.1 | 24.5 | 0 | 0 | 0 | 121.6 | ||||
| 166 | S | 37.1 | Very low | 39 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | cis | -169.4 | 145.8 | -12 | -99.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 167 | L | 39.7 | Very low | 39.2 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | 55.6 | 113.5 | 138 | -59.8 | 167.9 | 0 | 0 | 0 | 121.1 | ||||
| 168 | D | 38.3 | Very low | 39.6 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | -60.2 | 154.1 | 134.4 | -74.7 | -57.9 | 0 | 0 | 0 | 109.9 | ||||
| 169 | P | 39.3 | Very low | 39.6 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | -145.5 | 164.9 | 99 | 39.9 | -25.9 | 0 | 0 | 0 | 115.2 | |||||
| 170 | A | 41.6 | Very low | 39.7 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -72 | 168.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 171 | P | 40.2 | Very low | 39.9 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | -149.3 | -177.7 | 94.3 | 41.9 | -25.9 | 0 | 0 | 0 | 116.4 | |||||
| 172 | E | 35.8 | Very low | 39.9 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -32.5 | 166.3 | 164.3 | -53.5 | -68.7 | 118.4 | 0 | 0 | 119.9 | ||||
| 173 | D | 39.2 | Very low | 39.8 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | 90 | 171.1 | 145.2 | -127.7 | -33.4 | 0 | 0 | 0 | 120.3 | ||||
| 174 | S | 42 | Very low | 39.9 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 57% | 0.566 | 77% | 0.773 | S | S | * | * | trans | -114.6 | 162.5 | -148.7 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 175 | N | 38.6 | Very low | 39.8 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | 177 | 153.2 | 120.7 | -94.9 | -74.1 | 0 | 0 | 0 | 110 | |||||
| 176 | D | 39.4 | Very low | 39.8 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -90 | 149.2 | 172 | -52.2 | -85.2 | 0 | 0 | 0 | 110.5 | ||||
| 177 | E | 44.6 | Very low | 39.5 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -152.1 | 167 | 145.8 | -140.4 | 177.4 | -176.4 | 0 | 0 | 111.2 | ||||
| 178 | E | 45 | Very low | 39.2 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -94.2 | -159.6 | -157.7 | -50 | -176.4 | 123.6 | 0 | 0 | 114.4 | ||||
| 179 | T | 38.1 | Very low | 38.9 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | 105.3 | 127.3 | 168.3 | 67.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 180 | L | 39 | Very low | 38.7 | Very low | 145 Ų | 145 | 145 Ų | 145 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | cis | -165 | 159.6 | -14.4 | -164 | 72.1 | 0 | 0 | 0 | 108.5 | ||||
| 181 | I | 42.8 | Very low | 38.2 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 65.2 | 124.2 | 169.2 | -23.8 | 174 | 0 | 0 | 0 | 113 | ||||
| 182 | D | 40.3 | Very low | 38 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | cis | -153.8 | 113.4 | 44.4 | -168.1 | 24.8 | 0 | 0 | 0 | 112 | ||||
| 183 | D | 37.3 | Very low | 38 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -101.2 | 127.3 | 168.1 | -93.4 | -49.8 | 0 | 0 | 0 | 108.8 | ||||
| 184 | T | 39.9 | Very low | 38 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -168.7 | 116.9 | 155.4 | -84.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 185 | N | 39 | Very low | 37.5 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | trans | 62.7 | 152.3 | 151.8 | -70.2 | -20.6 | 0 | 0 | 0 | 121.2 | ||||
| 186 | H | 38.3 | Very low | 37.6 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | cis | -141 | 138.7 | -3.8 | -115.7 | -36.5 | 0 | 0 | 0 | 112.2 | L188 | H186-L188 PolarHBondContact O-N 2.98Š| ||
| 187 | H | 30.4 | Very low | 37.3 | Very low | 141 Ų | 141 | 150 Ų | 150 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | trans | -44.4 | 122.7 | 156.9 | 169 | 85.5 | 0 | 0 | 0 | 112.6 | Q189 | H187-Q189 WeakPolarHBondContact NE2-CB 3.46Å; H187-Q189 PolarHBondContact NE2-OE1 3.24Å | ||
| 188 | L | 35.2 | Very low | 37.2 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -120.9 | 104.5 | 168.1 | -100.3 | 173.7 | 0 | 0 | 0 | 110.6 | H186 F190 | H186-L188 PolarHBondContact O-N 2.98Å; L188-F190 HydrophobicContact CD2-CE2 4.26Å | ||
| 189 | Q | 32.1 | Very low | 37 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | trans | -95 | 111.9 | -173 | -179.2 | 175.1 | 2.1 | 0 | 0 | 110.4 | H187 | H187-Q189 WeakPolarHBondContact NE2-CB 3.46Å; H187-Q189 PolarHBondContact NE2-OE1 3.24Å | ||
| 190 | F | 33.6 | Very low | 36.9 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -125.9 | 59.4 | 175.9 | -94.8 | -77.4 | 0 | 0 | 0 | 112.8 | L188 | L188-F190 HydrophobicContact CD2-CE2 4.26Š| ||
| 191 | N | 31.9 | Very low | 36.8 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -87.5 | 104.4 | 151.8 | -79.5 | -5.9 | 0 | 0 | 0 | 108.1 | ||||
| 192 | N | 34.8 | Very low | 36.6 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | trans | -168.7 | 121.9 | 149.8 | -115.3 | -44.7 | 0 | 0 | 0 | 113.4 | ||||
| 193 | Y | 36.2 | Very low | 36.4 | Very low | 212 Ų | 212 | 145.2 Ų | 145.2 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | trans | 174.2 | 102.1 | 135.9 | -97 | -69.6 | 0 | 0 | 0 | 103.1 | ||||
| 194 | Q | 38.8 | Very low | 36.7 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | 46.3 | 135.5 | 76.9 | -69.1 | -174.1 | -16.8 | 0 | 0 | 113.6 | |||||
| 195 | Q | 33.4 | Very low | 36.5 | Very low | 144 Ų | 144 | 146 Ų | 146 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | cis | -173.2 | 130.7 | -16.7 | 169.8 | 175.2 | -6.2 | 0 | 0 | 106.2 | ||||
| 196 | V | 39 | Very low | 36.9 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | -164.1 | 146.4 | 145.9 | -101.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 197 | D | 34.8 | Very low | 36.7 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | -81.9 | 163.1 | -170.3 | -46.4 | -92.3 | 0 | 0 | 0 | 113.4 | ||||
| 198 | I | 42.2 | Very low | 37.3 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | -169.7 | 140.9 | 118.1 | -95.2 | 154.4 | 0 | 0 | 0 | 110 | |||||
| 199 | S | 39 | Very low | 37.6 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -84.1 | 153.3 | -170.1 | -48.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 200 | C | 36.9 | Very low | 38.4 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 86% | 0.858 | 78% | 0.779 | S | S | * | * | -164.9 | 118.6 | 123.3 | -155.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 201 | P | 37.3 | Very low | 39.1 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | -123.2 | 128.7 | 174.4 | 36.6 | -22.9 | 0 | 0 | 0 | 114.5 | ||||
| 202 | E | 38 | Very low | 39.7 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -149.1 | 117.9 | 164.2 | -140.8 | 157.7 | -174.7 | 0 | 0 | 106.7 | ||||
| 203 | L | 37.1 | Very low | 40.4 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | 59.1 | 129.7 | 71.2 | -53.7 | 175.6 | 0 | 0 | 0 | 110.8 | |||||
| 204 | L | 42.5 | Very low | 40.9 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | cis | -140.4 | -173.4 | 27.2 | -74.7 | 169 | 0 | 0 | 0 | 114.2 | ||||
| 205 | S | 36.6 | Very low | 41.7 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -93.6 | 173.9 | -169 | -107 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 206 | P | 46.2 | Very low | 42.5 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -104.4 | 175.9 | -160.7 | 41.4 | -38.4 | 0 | 0 | 0 | 115.6 | ||||
| 207 | S | 35.5 | Very low | 43.3 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | 168.6 | 121.5 | 124.2 | -176.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 208 | S | 42.3 | Very low | 44.4 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -168.4 | 100 | 143.1 | 47.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 209 | T | 41.3 | Very low | 45.1 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 15.7 | 125.6 | 137 | -31 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 210 | I | 49.3 | Very low | 46.4 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 175 | 139.3 | 116.4 | -89.5 | 161.9 | 0 | 0 | 0 | 112.2 | |||||
| 211 | D | 47.6 | Very low | 48.1 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | trans | 61.4 | 155.5 | 165.3 | -84.5 | -46.7 | 0 | 0 | 0 | 123.6 | ||||
| 212 | R | 43.9 | Very low | 49.9 | Very low | 225 Ų | 225 | 137.6 Ų | 137.6 | 85% | 0.849 | 74% | 0.736 | S | S | * | * | trans | -157.9 | 121.7 | -167.4 | 175.4 | -166.2 | -177.2 | -165.6 | 4.4 | 112.5 | ||||
| 213 | P | 51.3 | Low | 52 | Low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | trans | -110.7 | 165.9 | 159 | 6.1 | 16 | 0 | 0 | 0 | 113.2 | D215 | P213-D215 PolarHBondContact O-N 3.23Š| ||
| 214 | S | 46.6 | Very low | 54.2 | Low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | trans | -88.1 | 15.9 | -156.7 | -56.9 | 0 | 0 | 0 | 0 | 117.7 | E216 | S214-E216 VanDerWaalsContact C-N 3.25Å; S214-E216 PolarHBondContact O-N 3.44Å | ||
| 215 | D | 54 | Low | 56.3 | Low | 131 Ų | 131 | 130.7 Ų | 130.7 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 11 | -156.7 | -57.4 | -24.8 | 0 | 0 | 0 | 116.2 | P213 K217 | P213-D215 PolarHBondContact O-N 3.23Å; D215-K217 VanDerWaalsContact C-N 3.33Å; D215-K217 PolarHBondContact O-N 3.29Å |
| 216 | E | 51.9 | Low | 58.7 | Low | 135 Ų | 135 | 127.5 Ų | 127.5 | 63% | 0.631 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68 | -27.2 | -172.4 | -152.6 | -168.8 | 147.3 | 0 | 0 | 113.9 | S214 Y220 | S214-E216 VanDerWaalsContact C-N 3.25Å; S214-E216 PolarHBondContact O-N 3.44Å; E216-Y220 HydrophobicContact CG-CE2 4.16Å; E216-Y220 VanDerWaalsContact O-CD2 3.28Å; E216-Y220 WeakPolarHBondContact O-CD2 3.48Å |
| 217 | K | 54.4 | Low | 60.8 | Low | 179 Ų | 179 | 129.7 Ų | 129.7 | 78% | 0.778 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.2 | -36.5 | -171.7 | -80.1 | -172.2 | 175.2 | 179.3 | 0 | 114.8 | D215 Y220 | D215-K217 VanDerWaalsContact C-N 3.33Å; D215-K217 PolarHBondContact O-N 3.29Å; K217-Y220 PolarHBondContact O-N 3.31Å |
| 218 | D | 57.8 | Low | 63.5 | Low | 131 Ų | 131 | 130.2 Ų | 130.2 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.4 | -32.3 | -175.6 | -71 | -23.2 | 0 | 0 | 0 | 111.6 | Y220 Q221 E222 | D218-Y220 VanDerWaalsContact C-N 3.31Å; D218-Y220 PolarHBondContact O-N 3.08Å; D218-Q221 PolarHBondContact O-N 3.4Å; D218-E222 PolarHBondContact O-N 3.38Å |
| 219 | S | 57.5 | Low | 65.9 | Low | 72 Ų | 72 | 129.9 Ų | 129.9 | 50% | 0.503 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -52.4 | -43.7 | 171.7 | 178.4 | 0 | 0 | 0 | 0 | 113 | Q221 E222 N223 | S219-Q221 VanDerWaalsContact C-N 3.35Å; S219-Q221 PolarHBondContact O-N 3.04Å; S219-E222 PolarHBondContact O-N 3.11Å; S219-N223 VanDerWaalsContact O-CB 3.25Å; S219-N223 WeakPolarHBondContact O-CB 3.5Å; S219-N223 PolarHBondContact O-N 3.44Å |
| 220 | Y | 65.9 | Low | 68.3 | Low | 161 Ų | 161 | 126.7 Ų | 126.7 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.6 | -35.2 | 177.4 | -76.3 | -78.2 | 0 | 0 | 0 | 113 | E216 K217 D218 R224 | E216-Y220 HydrophobicContact CG-CE2 4.16Å; E216-Y220 VanDerWaalsContact O-CD2 3.28Å; E216-Y220 WeakPolarHBondContact O-CD2 3.48Å; K217-Y220 PolarHBondContact O-N 3.31Å; D218-Y220 VanDerWaalsContact C-N 3.31Å; D218-Y220 PolarHBondContact O-N 3.08Å; Y220-R224 WeakPolarHBondContact O-CB 3.28Å; Y220-R224 PolarHBondContact O-N 3.33Å; Y220-R224 VanDerWaalsContact O-N 3.17Å |
| 221 | Q | 73 | Confident | 70.4 | Confident | 96 Ų | 96 | 126.9 Ų | 126.9 | 45% | 0.449 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -76.2 | -41.6 | 178 | -174.6 | 78.4 | -39.7 | 0 | 0 | 111.1 | D218 S219 N223 R224 E225 | D218-Q221 PolarHBondContact O-N 3.4Å; S219-Q221 VanDerWaalsContact C-N 3.35Å; S219-Q221 PolarHBondContact O-N 3.04Å; Q221-N223 PolarHBondContact O-N 3.02Å; Q221-R224 WeakPolarHBondContact O-CB 3.41Å; Q221-R224 PolarHBondContact O-N 3.49Å; Q221-R224 VanDerWaalsContact O-N 3.16Å; Q221-E225 WeakPolarHBondContact O-CG 3.28Å; Q221-E225 PolarHBondContact O-N 3.31Å |
| 222 | E | 75.4 | Confident | 72.7 | Confident | 150 Ų | 150 | 126.1 Ų | 126.1 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61 | -44.1 | 174.2 | -176.1 | 172.3 | -160.3 | 0 | 0 | 111.3 | D218 S219 R224 E225 A226 | D218-E222 PolarHBondContact O-N 3.38Å; S219-E222 PolarHBondContact O-N 3.11Å; E222-R224 VanDerWaalsContact C-N 3.27Å; E222-R224 PolarHBondContact O-N 2.92Å; E222-E225 CarbonylContact O-C 3.6Å; E222-E225 WeakPolarHBondContact O-CB 3.39Å; E222-E225 PolarHBondContact O-N 3.35Å; E222-E225 VanDerWaalsContact O-N 3.08Å; E222-A226 WeakPolarHBondContact O-CB 3.1Å; E222-A226 PolarHBondContact O-N 3.02Å |
| 223 | N | 81.1 | Confident | 75.1 | Confident | 104 Ų | 104 | 120.9 Ų | 120.9 | 56% | 0.556 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.5 | -37.3 | 175.6 | -165.7 | -27.5 | 0 | 0 | 0 | 111.6 | S219 Q221 R227 | S219-N223 VanDerWaalsContact O-CB 3.25Å; S219-N223 WeakPolarHBondContact O-CB 3.5Å; S219-N223 PolarHBondContact O-N 3.44Å; Q221-N223 PolarHBondContact O-N 3.02Å; N223-R227 VanDerWaalsContact O-CB 3.3Å; N223-R227 WeakPolarHBondContact O-CB 3.31Å; N223-R227 PolarHBondContact O-N 2.94Å |
| 224 | R | 84.6 | Confident | 77.1 | Confident | 144 Ų | 144 | 121.1 Ų | 121.1 | 54% | 0.543 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.4 | -40 | 173.1 | -166.1 | -174.9 | -168.6 | -167.2 | 6.7 | 112.6 | Y220 Q221 E222 R228 | Y220-R224 WeakPolarHBondContact O-CB 3.28Å; Y220-R224 PolarHBondContact O-N 3.33Å; Y220-R224 VanDerWaalsContact O-N 3.17Å; Q221-R224 WeakPolarHBondContact O-CB 3.41Å; Q221-R224 PolarHBondContact O-N 3.49Å; Q221-R224 VanDerWaalsContact O-N 3.16Å; E222-R224 VanDerWaalsContact C-N 3.27Å; E222-R224 PolarHBondContact O-N 2.92Å; R224-R228 VanDerWaalsContact O-CG 3.28Å; R224-R228 WeakPolarHBondContact O-CG 3.48Å; R224-R228 PolarHBondContact O-N 3.4Å; R224-R228 VanDerWaalsContact O-N 3.07Å |
| 225 | E | 86.8 | Confident | 79.4 | Confident | 99 Ų | 99 | 122.9 Ų | 122.9 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.8 | -46.1 | 175.3 | -68.8 | -78.9 | 105.7 | 0 | 0 | 111.3 | Q221 E222 R227 R228 L229 | Q221-E225 WeakPolarHBondContact O-CG 3.28Å; Q221-E225 PolarHBondContact O-N 3.31Å; E222-E225 CarbonylContact O-C 3.6Å; E222-E225 WeakPolarHBondContact O-CB 3.39Å; E222-E225 PolarHBondContact O-N 3.35Å; E222-E225 VanDerWaalsContact O-N 3.08Å; E225-R227 PolarHBondContact O-N 2.73Å; E225-R228 CarbonylContact O-C 3.58Å; E225-R228 WeakPolarHBondContact O-CA 3.47Å; E225-R228 WeakPolarHBondContact O-CB 3.48Å; E225-R228 PolarHBondContact O-N 2.83Å; E225-R228 VanDerWaalsContact O-N 3.11Å; E225-R228 IonicContact OE1-CZ 3.87Å; E225-R228 IonicContact OE1-NH1 2.77Å; E225-R228 PolarHBondContact OE1-NH1 3.4Å; E225-L229 PolarHBondContact O-N 2.86Å |
| 226 | A | 86.5 | Confident | 81.3 | Confident | 52 Ų | 52 | 123.1 Ų | 123.1 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58.4 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E222 R228 L229 A230 | E222-A226 WeakPolarHBondContact O-CB 3.1Å; E222-A226 PolarHBondContact O-N 3.02Å; A226-R228 VanDerWaalsContact C-N 3.31Å; A226-R228 PolarHBondContact O-N 3.18Å; A226-L229 PolarHBondContact O-N 3.17Å; A226-L229 VanDerWaalsContact O-N 3.14Å; A226-A230 WeakPolarHBondContact O-CB 3.48Å; A226-A230 PolarHBondContact O-N 3.47Å |
| 227 | R | 89.9 | Confident | 83.2 | Confident | 165 Ų | 165 | 119.4 Ų | 119.4 | 62% | 0.623 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.9 | -30.8 | 175.9 | -159.3 | 175.4 | -169.7 | -155.5 | 5.2 | 112.6 | N223 E225 R231 | N223-R227 VanDerWaalsContact O-CB 3.3Å; N223-R227 WeakPolarHBondContact O-CB 3.31Å; N223-R227 PolarHBondContact O-N 2.94Å; E225-R227 PolarHBondContact O-N 2.73Å; R227-R231 WeakPolarHBondContact O-CB 3.44Å; R227-R231 WeakPolarHBondContact O-CG 3.44Å; R227-R231 PolarHBondContact O-N 3.04Å |
| 228 | R | 92.2 | Very high | 85 | Confident | 119 Ų | 119 | 115.3 Ų | 115.3 | 45% | 0.449 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.1 | -42.2 | 169.5 | -75.2 | 163.7 | 163.4 | 178.5 | -4.1 | 111.6 | R224 E225 A226 R231 K232 | R224-R228 VanDerWaalsContact O-CG 3.28Å; R224-R228 WeakPolarHBondContact O-CG 3.48Å; R224-R228 PolarHBondContact O-N 3.4Å; R224-R228 VanDerWaalsContact O-N 3.07Å; E225-R228 CarbonylContact O-C 3.58Å; E225-R228 WeakPolarHBondContact O-CA 3.47Å; E225-R228 WeakPolarHBondContact O-CB 3.48Å; E225-R228 PolarHBondContact O-N 2.83Å; E225-R228 VanDerWaalsContact O-N 3.11Å; E225-R228 IonicContact OE1-CZ 3.87Å; E225-R228 IonicContact OE1-NH1 2.77Å; E225-R228 PolarHBondContact OE1-NH1 3.4Å; A226-R228 VanDerWaalsContact C-N 3.31Å; A226-R228 PolarHBondContact O-N 3.18Å; R228-R231 PolarHBondContact O-N 3.33Å; R228-K232 WeakPolarHBondContact O-CG 3.39Å; R228-K232 PolarHBondContact O-N 2.85Å |
| 229 | L | 92.8 | Very high | 86.8 | Confident | 107 Ų | 107 | 117.1 Ų | 117.1 | 56% | 0.56 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.6 | -44.1 | 179.2 | -175.1 | 61.6 | 0 | 0 | 0 | 111.7 | E225 A226 R231 K232 M233 | E225-L229 PolarHBondContact O-N 2.86Å; A226-L229 PolarHBondContact O-N 3.17Å; A226-L229 VanDerWaalsContact O-N 3.14Å; L229-R231 PolarHBondContact O-N 3.09Å; L229-K232 WeakPolarHBondContact O-CB 3.21Å; L229-K232 PolarHBondContact O-N 3.22Å; L229-K232 VanDerWaalsContact O-N 3.11Å; L229-M233 WeakPolarHBondContact O-CG 3.49Å; L229-M233 PolarHBondContact O-N 2.82Å |
| 230 | A | 92.5 | Very high | 88.6 | Confident | 58 Ų | 58 | 121.1 Ų | 121.1 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -56.3 | -48.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A226 K232 M233 Q234 | A226-A230 WeakPolarHBondContact O-CB 3.48Å; A226-A230 PolarHBondContact O-N 3.47Å; A230-K232 VanDerWaalsContact C-N 3.33Å; A230-K232 PolarHBondContact O-N 2.8Å; A230-M233 PolarHBondContact O-N 3.36Å; A230-M233 VanDerWaalsContact O-N 3.14Å; A230-Q234 WeakPolarHBondContact O-CB 3.32Å; A230-Q234 PolarHBondContact O-N 3.08Å |
| 231 | R | 93.6 | Very high | 89.9 | Confident | 154 Ų | 154 | 116.3 Ų | 116.3 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.2 | -35.3 | 174.7 | -76.3 | 175.6 | 169.8 | -169.5 | -3.3 | 113.3 | R227 R228 L229 K235 | R227-R231 WeakPolarHBondContact O-CB 3.44Å; R227-R231 WeakPolarHBondContact O-CG 3.44Å; R227-R231 PolarHBondContact O-N 3.04Å; R228-R231 PolarHBondContact O-N 3.33Å; L229-R231 PolarHBondContact O-N 3.09Å; R231-K235 WeakPolarHBondContact O-CG 3.38Å; R231-K235 PolarHBondContact O-N 3.34Å; R231-K235 VanDerWaalsContact O-N 3.16Å |
| 232 | K | 95.2 | Very high | 90.9 | Very high | 148 Ų | 148 | 117.9 Ų | 117.9 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -42.2 | 172.5 | -74.6 | 172.2 | 179.7 | 173.5 | 0 | 111.6 | R228 L229 A230 K236 | R228-K232 WeakPolarHBondContact O-CG 3.39Å; R228-K232 PolarHBondContact O-N 2.85Å; L229-K232 WeakPolarHBondContact O-CB 3.21Å; L229-K232 PolarHBondContact O-N 3.22Å; L229-K232 VanDerWaalsContact O-N 3.11Å; A230-K232 VanDerWaalsContact C-N 3.33Å; A230-K232 PolarHBondContact O-N 2.8Å; K232-K236 WeakPolarHBondContact O-CB 3.27Å; K232-K236 PolarHBondContact O-N 3.22Å |
| 233 | M | 93.8 | Very high | 91.9 | Very high | 115 Ų | 115 | 118.6 Ų | 118.6 | 57% | 0.567 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.7 | -42.5 | 179.1 | -73.5 | -68.9 | -84.2 | 0 | 0 | 112 | L229 A230 K236 A237 | L229-M233 WeakPolarHBondContact O-CG 3.49Å; L229-M233 PolarHBondContact O-N 2.82Å; A230-M233 PolarHBondContact O-N 3.36Å; A230-M233 VanDerWaalsContact O-N 3.14Å; M233-K236 CarbonylContact O-C 3.55Å; M233-K236 WeakPolarHBondContact O-CB 3.48Å; M233-K236 PolarHBondContact O-N 2.98Å; M233-K236 VanDerWaalsContact O-N 3.16Å; M233-K236 HydrophobicContact SD-CD 4.35Å; M233-A237 PolarHBondContact O-N 3.31Å |
| 234 | Q | 93 | Very high | 92.5 | Very high | 112 Ų | 112 | 118.2 Ų | 118.2 | 52% | 0.523 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.4 | -53.2 | 173.1 | -175.1 | -175 | -17.9 | 0 | 0 | 111.1 | A230 K236 A237 E238 | A230-Q234 WeakPolarHBondContact O-CB 3.32Å; A230-Q234 PolarHBondContact O-N 3.08Å; Q234-K236 PolarHBondContact O-N 3.24Å; Q234-A237 CarbonylContact O-C 3.53Å; Q234-A237 WeakPolarHBondContact O-CA 3.32Å; Q234-A237 WeakPolarHBondContact O-CB 3.38Å; Q234-A237 PolarHBondContact O-N 2.89Å; Q234-E238 HydrophobicContact CG-CG 4.38Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.39Å; Q234-E238 PolarHBondContact NE2-OE1 2.8Å; Q234-E238 WeakPolarHBondContact O-CG 3.32Å; Q234-E238 PolarHBondContact O-N 3.45Å |
| 235 | K | 95 | Very high | 92.8 | Very high | 149 Ų | 149 | 113.6 Ų | 113.6 | 65% | 0.648 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.7 | -29.8 | 176.4 | -72.8 | -175.1 | 176 | -170.2 | 0 | 113.4 | R231 E238 K239 | R231-K235 WeakPolarHBondContact O-CG 3.38Å; R231-K235 PolarHBondContact O-N 3.34Å; R231-K235 VanDerWaalsContact O-N 3.16Å; K235-E238 WeakPolarHBondContact CA-OE2 3.39Å; K235-K239 VanDerWaalsContact O-CB 3.25Å; K235-K239 WeakPolarHBondContact O-CB 3.49Å; K235-K239 PolarHBondContact O-N 3.46Å; K235-K239 VanDerWaalsContact O-N 3.09Å |
| 236 | K | 94.6 | Very high | 93.2 | Very high | 135 Ų | 135 | 111.4 Ų | 111.4 | 59% | 0.587 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -73.7 | -34.1 | 174.2 | -170.5 | 179.3 | -179 | -177 | 0 | 111.9 | K232 M233 Q234 K240 | K232-K236 WeakPolarHBondContact O-CB 3.27Å; K232-K236 PolarHBondContact O-N 3.22Å; M233-K236 CarbonylContact O-C 3.55Å; M233-K236 WeakPolarHBondContact O-CB 3.48Å; M233-K236 PolarHBondContact O-N 2.98Å; M233-K236 VanDerWaalsContact O-N 3.16Å; M233-K236 HydrophobicContact SD-CD 4.35Å; Q234-K236 PolarHBondContact O-N 3.24Å; K236-K240 WeakPolarHBondContact O-CG 3.32Å; K236-K240 PolarHBondContact O-N 2.98Å |
| 237 | A | 92.2 | Very high | 93.6 | Very high | 58 Ų | 58 | 116.3 Ų | 116.3 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.2 | -48.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M233 Q234 K239 K240 A241 | M233-A237 PolarHBondContact O-N 3.31Å; Q234-A237 CarbonylContact O-C 3.53Å; Q234-A237 WeakPolarHBondContact O-CA 3.32Å; Q234-A237 WeakPolarHBondContact O-CB 3.38Å; Q234-A237 PolarHBondContact O-N 2.89Å; A237-K239 VanDerWaalsContact C-N 3.33Å; A237-K239 PolarHBondContact O-N 2.88Å; A237-K240 CarbonylContact O-C 3.37Å; A237-K240 WeakPolarHBondContact O-CA 3.29Å; A237-K240 WeakPolarHBondContact O-CB 3.27Å; A237-K240 PolarHBondContact O-N 3.36Å; A237-A241 PolarHBondContact O-N 2.91Å |
| 238 | E | 92.3 | Very high | 93.8 | Very high | 93 Ų | 93 | 113.5 Ų | 113.5 | 44% | 0.435 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -54.1 | -47.1 | 174 | -69.8 | 165.2 | 173.8 | 0 | 0 | 111.4 | Q234 K235 K240 A241 L242 | Q234-E238 HydrophobicContact CG-CG 4.38Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.39Å; Q234-E238 PolarHBondContact NE2-OE1 2.8Å; Q234-E238 WeakPolarHBondContact O-CG 3.32Å; Q234-E238 PolarHBondContact O-N 3.45Å; K235-E238 WeakPolarHBondContact CA-OE2 3.39Å; E238-K240 VanDerWaalsContact C-N 3.29Å; E238-K240 PolarHBondContact O-N 2.71Å; E238-A241 PolarHBondContact O-N 3.31Å; E238-L242 WeakPolarHBondContact O-CB 3.36Å; E238-L242 PolarHBondContact O-N 2.87Å |
| 239 | K | 95.5 | Very high | 93.7 | Very high | 168 Ų | 168 | 113.3 Ų | 113.3 | 73% | 0.73 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -26.7 | 176.5 | -170.7 | 168.4 | -176.2 | 171 | 0 | 113.5 | K235 A237 K243 | K235-K239 VanDerWaalsContact O-CB 3.25Å; K235-K239 WeakPolarHBondContact O-CB 3.49Å; K235-K239 PolarHBondContact O-N 3.46Å; K235-K239 VanDerWaalsContact O-N 3.09Å; A237-K239 VanDerWaalsContact C-N 3.33Å; A237-K239 PolarHBondContact O-N 2.88Å; K239-K243 WeakPolarHBondContact O-CB 3.43Å; K239-K243 PolarHBondContact O-N 3.28Å |
| 240 | K | 95.1 | Very high | 93.7 | Very high | 156 Ų | 156 | 111 Ų | 111 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.1 | -45 | 169.3 | -80.8 | -179.3 | 172.8 | -172.2 | 0 | 111.3 | K236 A237 E238 K243 K244 | K236-K240 WeakPolarHBondContact O-CG 3.32Å; K236-K240 PolarHBondContact O-N 2.98Å; A237-K240 CarbonylContact O-C 3.37Å; A237-K240 WeakPolarHBondContact O-CA 3.29Å; A237-K240 WeakPolarHBondContact O-CB 3.27Å; A237-K240 PolarHBondContact O-N 3.36Å; E238-K240 VanDerWaalsContact C-N 3.29Å; E238-K240 PolarHBondContact O-N 2.71Å; K240-K243 CarbonylContact O-C 3.5Å; K240-K243 PolarHBondContact O-N 3.48Å; K240-K244 PolarHBondContact O-N 2.87Å |
| 241 | A | 93.3 | Very high | 93.9 | Very high | 60 Ų | 60 | 113.4 Ų | 113.4 | 50% | 0.496 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.5 | -49.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A237 E238 K243 K244 A245 | A237-A241 PolarHBondContact O-N 2.91Å; E238-A241 PolarHBondContact O-N 3.31Å; A241-K243 PolarHBondContact O-N 3.34Å; A241-K244 WeakPolarHBondContact O-CA 3.47Å; A241-K244 PolarHBondContact O-N 3.46Å; A241-A245 PolarHBondContact O-N 3.33Å |
| 242 | L | 94.2 | Very high | 93.9 | Very high | 130 Ų | 130 | 114.2 Ų | 114.2 | 68% | 0.681 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -57.6 | -33.6 | 174.9 | -169.5 | 67 | 0 | 0 | 0 | 112 | E238 A246 | E238-L242 WeakPolarHBondContact O-CB 3.36Å; E238-L242 PolarHBondContact O-N 2.87Å; L242-A246 WeakPolarHBondContact O-CB 3.34Å; L242-A246 PolarHBondContact O-N 3.15Å |
| 243 | K | 95.3 | Very high | 93.9 | Very high | 165 Ų | 165 | 111.4 Ų | 111.4 | 72% | 0.717 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -75.9 | -30.2 | 173.8 | -168.3 | 176 | 179.8 | -179.4 | 0 | 113.5 | K239 K240 A241 K247 | K239-K243 WeakPolarHBondContact O-CB 3.43Å; K239-K243 PolarHBondContact O-N 3.28Å; K240-K243 CarbonylContact O-C 3.5Å; K240-K243 PolarHBondContact O-N 3.48Å; A241-K243 PolarHBondContact O-N 3.34Å; K243-K247 WeakPolarHBondContact O-CB 3.35Å; K243-K247 PolarHBondContact O-N 3.39Å |
| 244 | K | 94.8 | Very high | 93.9 | Very high | 95 Ų | 95 | 108.9 Ų | 108.9 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 169.2 | -156.5 | -178.3 | -170.5 | -171.8 | 0 | 109 | K240 A241 K247 R248 D917 | K240-K244 PolarHBondContact O-N 2.87Å; A241-K244 WeakPolarHBondContact O-CA 3.47Å; A241-K244 PolarHBondContact O-N 3.46Å; K244-K247 PolarHBondContact O-N 3.12Å; K244-R248 PolarHBondContact O-N 3.01Å; K244-D917 IonicContact NZ-OD1 2.93Å; K244-D917 PolarHBondContact NZ-OD1 3.45Å |
| 245 | A | 91.2 | Very high | 94 | Very high | 48 Ų | 48 | 109 Ų | 109 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.9 | -56 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A241 K247 R248 E249 | A241-A245 PolarHBondContact O-N 3.33Å; A245-K247 PolarHBondContact O-N 2.86Å; A245-K247 VanDerWaalsContact O-N 3.15Å; A245-R248 WeakPolarHBondContact O-CA 3.31Å; A245-R248 WeakPolarHBondContact O-CB 3.39Å; A245-R248 PolarHBondContact O-N 2.93Å; A245-E249 PolarHBondContact O-N 2.94Å |
| 246 | A | 94.4 | Very high | 93.9 | Very high | 53 Ų | 53 | 107.2 Ų | 107.2 | 44% | 0.438 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -29.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L242 A250 | L242-A246 WeakPolarHBondContact O-CB 3.34Å; L242-A246 PolarHBondContact O-N 3.15Å; A246-A250 VanDerWaalsContact O-CB 3.31Å; A246-A250 WeakPolarHBondContact O-CB 3.42Å; A246-A250 PolarHBondContact O-N 2.74Å |
| 247 | K | 95.7 | Very high | 93.9 | Very high | 154 Ų | 154 | 105.6 Ų | 105.6 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71 | -36.3 | 172.3 | -172.6 | -172.4 | 175.2 | -165.3 | 0 | 112.3 | K243 K244 A245 K251 | K243-K247 WeakPolarHBondContact O-CB 3.35Å; K243-K247 PolarHBondContact O-N 3.39Å; K244-K247 PolarHBondContact O-N 3.12Å; A245-K247 PolarHBondContact O-N 2.86Å; A245-K247 VanDerWaalsContact O-N 3.15Å; K247-K251 PolarHBondContact O-N 3.14Å |
| 248 | R | 93.3 | Very high | 94 | Very high | 106 Ų | 106 | 112.3 Ų | 112.3 | 40% | 0.4 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68 | -44.9 | 173.2 | -72.3 | 179.8 | -179.5 | 148.7 | 7.7 | 111.4 | K244 A245 A250 K251 R252 E918 | K244-R248 PolarHBondContact O-N 3.01Å; A245-R248 WeakPolarHBondContact O-CA 3.31Å; A245-R248 WeakPolarHBondContact O-CB 3.39Å; A245-R248 PolarHBondContact O-N 2.93Å; R248-A250 PolarHBondContact O-N 2.98Å; R248-K251 CarbonylContact O-C 3.58Å; R248-K251 WeakPolarHBondContact O-CA 3.47Å; R248-K251 VanDerWaalsContact O-CB 3.28Å; R248-K251 WeakPolarHBondContact O-CB 3.35Å; R248-K251 PolarHBondContact O-N 3.38Å; R248-K251 VanDerWaalsContact O-N 3.14Å; R248-R252 PolarHBondContact O-N 3.41Å; R248-E918 IonicContact CZ-OE1 2.71Å; R248-E918 VanDerWaalsContact CZ-OE1 3.28Å; R248-E918 IonicContact CZ-OE2 2.67Å; R248-E918 IonicContact NE-OE2 3.63Å; R248-E918 PolarHBondContact NE-OE2 2.94Å; R248-E918 IonicContact NH1-OE1 3.94Å; R248-E918 IonicContact NH2-OE1 3.66Å; R248-E918 PolarHBondContact NH2-OE1 3.24Å; R248-E918 IonicContact NH2-OE2 2.73Å; R248-E918 PolarHBondContact NH2-OE2 3.35Å |
| 249 | E | 90.5 | Very high | 94 | Very high | 116 Ų | 116 | 110.7 Ų | 110.7 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 176 | -172 | -177 | -173 | 0 | 0 | 111.6 | A245 K251 R252 L253 | A245-E249 PolarHBondContact O-N 2.94Å; E249-K251 VanDerWaalsContact C-N 3.33Å; E249-K251 PolarHBondContact O-N 3.47Å; E249-R252 WeakPolarHBondContact O-CB 3.46Å; E249-R252 PolarHBondContact O-N 3.49Å; E249-L253 HydrophobicContact CG-CD1 4.23Å; E249-L253 PolarHBondContact O-N 2.71Å |
| 250 | A | 92.9 | Very high | 93.9 | Very high | 59 Ų | 59 | 108.8 Ų | 108.8 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -35.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | A246 R248 A254 | A246-A250 VanDerWaalsContact O-CB 3.31Å; A246-A250 WeakPolarHBondContact O-CB 3.42Å; A246-A250 PolarHBondContact O-N 2.74Å; R248-A250 PolarHBondContact O-N 2.98Å; A250-A254 VanDerWaalsContact O-CB 3.29Å; A250-A254 WeakPolarHBondContact O-CB 3.23Å; A250-A254 PolarHBondContact O-N 3.33Å; A250-A254 VanDerWaalsContact O-N 3.14Å |
| 251 | K | 95.5 | Very high | 93.9 | Very high | 108 Ų | 108 | 107.4 Ų | 107.4 | 47% | 0.47 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 168.4 | -102.7 | -170.2 | 170.6 | -172.7 | 0 | 110.4 | K247 R248 E249 A254 K255 D920 | K247-K251 PolarHBondContact O-N 3.14Å; R248-K251 CarbonylContact O-C 3.58Å; R248-K251 WeakPolarHBondContact O-CA 3.47Å; R248-K251 VanDerWaalsContact O-CB 3.28Å; R248-K251 WeakPolarHBondContact O-CB 3.35Å; R248-K251 PolarHBondContact O-N 3.38Å; R248-K251 VanDerWaalsContact O-N 3.14Å; E249-K251 VanDerWaalsContact C-N 3.33Å; E249-K251 PolarHBondContact O-N 3.47Å; K251-A254 PolarHBondContact O-N 2.73Å; K251-K255 PolarHBondContact O-N 3.37Å; K251-D920 IonicContact NZ-OD1 2.62Å; K251-D920 PolarHBondContact NZ-OD1 2.72Å; K251-D920 IonicContact NZ-OD2 3.26Å; K251-D920 PolarHBondContact NZ-OD2 2.96Å |
| 252 | R | 94.3 | Very high | 93.9 | Very high | 171 Ų | 171 | 113.5 Ų | 113.5 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.9 | -52.7 | -178.5 | -164.3 | -179.7 | 83.5 | 168.5 | 2.2 | 111.9 | R248 E249 A254 K255 E256 | R248-R252 PolarHBondContact O-N 3.41Å; E249-R252 WeakPolarHBondContact O-CB 3.46Å; E249-R252 PolarHBondContact O-N 3.49Å; R252-A254 PolarHBondContact O-N 2.67Å; R252-K255 WeakPolarHBondContact O-CA 3.35Å; R252-K255 WeakPolarHBondContact O-CB 3.31Å; R252-K255 PolarHBondContact O-N 3.44Å; R252-E256 WeakPolarHBondContact O-CB 3.44Å; R252-E256 PolarHBondContact O-N 2.68Å |
| 253 | L | 94.3 | Very high | 93.9 | Very high | 88 Ų | 88 | 110 Ų | 110 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -30.9 | 178.4 | -66.9 | 171.6 | 0 | 0 | 0 | 112.4 | E249 K257 | E249-L253 HydrophobicContact CG-CD1 4.23Å; E249-L253 PolarHBondContact O-N 2.71Å; L253-K257 WeakPolarHBondContact O-CB 3.5Å; L253-K257 PolarHBondContact O-N 3.26Å |
| 254 | A | 94.7 | Very high | 94 | Very high | 62 Ų | 62 | 111.7 Ų | 111.7 | 51% | 0.512 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.7 | -37.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A250 K251 R252 E256 R258 | A250-A254 VanDerWaalsContact O-CB 3.29Å; A250-A254 WeakPolarHBondContact O-CB 3.23Å; A250-A254 PolarHBondContact O-N 3.33Å; A250-A254 VanDerWaalsContact O-N 3.14Å; K251-A254 PolarHBondContact O-N 2.73Å; R252-A254 PolarHBondContact O-N 2.67Å; A254-E256 VanDerWaalsContact C-N 3.34Å; A254-R258 VanDerWaalsContact O-CB 3.27Å; A254-R258 WeakPolarHBondContact O-CB 3.27Å; A254-R258 PolarHBondContact O-N 3.3Å |
| 255 | K | 94.4 | Very high | 94 | Very high | 114 Ų | 114 | 116 Ų | 116 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 172 | -161.5 | 178.5 | -174.4 | -173.8 | 0 | 109.9 | K251 R252 R258 A259 E921 | K251-K255 PolarHBondContact O-N 3.37Å; R252-K255 WeakPolarHBondContact O-CA 3.35Å; R252-K255 WeakPolarHBondContact O-CB 3.31Å; R252-K255 PolarHBondContact O-N 3.44Å; K255-R258 WeakPolarHBondContact O-CB 3.43Å; K255-R258 PolarHBondContact O-N 3.43Å; K255-A259 PolarHBondContact O-N 3.28Å; K255-E921 IonicContact NZ-OE2 3.79Å; K255-E921 PolarHBondContact NZ-OE2 3.04Å |
| 256 | E | 92.8 | Very high | 94.1 | Very high | 112 Ų | 112 | 119.5 Ų | 119.5 | 52% | 0.523 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.4 | -54.1 | 178.5 | -171.7 | 171.1 | -166.9 | 0 | 0 | 113.3 | R252 A254 R258 A259 E260 | R252-E256 WeakPolarHBondContact O-CB 3.44Å; R252-E256 PolarHBondContact O-N 2.68Å; A254-E256 VanDerWaalsContact C-N 3.34Å; E256-R258 PolarHBondContact O-N 2.91Å; E256-A259 WeakPolarHBondContact O-CA 3.39Å; E256-A259 WeakPolarHBondContact O-CB 3.45Å; E256-A259 PolarHBondContact O-N 3.27Å; E256-E260 PolarHBondContact O-N 3.5Å |
| 257 | K | 94.7 | Very high | 94.2 | Very high | 102 Ų | 102 | 120 Ų | 120 | 44% | 0.443 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.2 | -22.5 | 174.8 | -170.9 | 174 | 178.2 | -177.9 | 0 | 112.2 | D105 L253 R261 | D105-K257 IonicContact OD2-NZ 2.74Å; D105-K257 PolarHBondContact OD2-NZ 2.82Å; L253-K257 WeakPolarHBondContact O-CB 3.5Å; L253-K257 PolarHBondContact O-N 3.26Å; K257-R261 WeakPolarHBondContact O-CB 3.43Å; K257-R261 VanDerWaalsContact O-CG 3.27Å; K257-R261 WeakPolarHBondContact O-CG 3.26Å; K257-R261 PolarHBondContact O-N 2.86Å |
| 258 | R | 94 | Very high | 94.3 | Very high | 199 Ų | 199 | 119.6 Ų | 119.6 | 75% | 0.751 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -79.6 | -39.7 | 171.5 | -175.1 | 179.2 | -179.3 | 86.6 | -4.4 | 112.7 | A254 K255 E256 R262 | A254-R258 VanDerWaalsContact O-CB 3.27Å; A254-R258 WeakPolarHBondContact O-CB 3.27Å; A254-R258 PolarHBondContact O-N 3.3Å; K255-R258 WeakPolarHBondContact O-CB 3.43Å; K255-R258 PolarHBondContact O-N 3.43Å; E256-R258 PolarHBondContact O-N 2.91Å; R258-R262 PolarHBondContact O-N 3.06Å; R258-R262 VanDerWaalsContact O-N 3.14Å |
| 259 | A | 92.5 | Very high | 94.4 | Very high | 59 Ų | 59 | 123.7 Ų | 123.7 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.8 | -45.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K255 E256 R261 R262 A263 | K255-A259 PolarHBondContact O-N 3.28Å; E256-A259 WeakPolarHBondContact O-CA 3.39Å; E256-A259 WeakPolarHBondContact O-CB 3.45Å; E256-A259 PolarHBondContact O-N 3.27Å; A259-R261 PolarHBondContact O-N 3.49Å; A259-R262 WeakPolarHBondContact O-CA 3.25Å; A259-R262 VanDerWaalsContact O-CB 3.31Å; A259-R262 WeakPolarHBondContact O-CB 3.19Å; A259-R262 PolarHBondContact O-N 3.17Å; A259-A263 PolarHBondContact O-N 3.18Å |
| 260 | E | 93.7 | Very high | 94.6 | Very high | 128 Ų | 128 | 121.9 Ų | 121.9 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.9 | -44.7 | 174.9 | -168.2 | -160.1 | -178.2 | 0 | 0 | 111.5 | E256 R262 A263 R264 | E256-E260 PolarHBondContact O-N 3.5Å; E260-R262 PolarHBondContact O-N 3.22Å; E260-A263 PolarHBondContact O-N 2.91Å; E260-R264 WeakPolarHBondContact O-CB 3.47Å; E260-R264 PolarHBondContact O-N 3.34Å |
| 261 | R | 95.2 | Very high | 94.8 | Very high | 127 Ų | 127 | 125 Ų | 125 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.9 | -21.6 | 173.1 | -80.4 | 179.4 | 168.6 | -167.1 | -2.9 | 113.3 | K257 A259 R265 | K257-R261 WeakPolarHBondContact O-CB 3.43Å; K257-R261 VanDerWaalsContact O-CG 3.27Å; K257-R261 WeakPolarHBondContact O-CG 3.26Å; K257-R261 PolarHBondContact O-N 2.86Å; A259-R261 PolarHBondContact O-N 3.49Å; R261-R265 WeakPolarHBondContact O-CD 3.23Å; R261-R265 VanDerWaalsContact O-CG 3.29Å; R261-R265 WeakPolarHBondContact O-CG 3.49Å |
| 262 | R | 93.7 | Very high | 94.8 | Very high | 188 Ų | 188 | 127.2 Ų | 127.2 | 71% | 0.709 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.4 | -52 | 170.1 | -170.7 | 175.8 | -178.4 | 135.9 | -1.8 | 110.6 | R258 A259 E260 R264 R265 E266 | R258-R262 PolarHBondContact O-N 3.06Å; R258-R262 VanDerWaalsContact O-N 3.14Å; A259-R262 WeakPolarHBondContact O-CA 3.25Å; A259-R262 VanDerWaalsContact O-CB 3.31Å; A259-R262 WeakPolarHBondContact O-CB 3.19Å; A259-R262 PolarHBondContact O-N 3.17Å; E260-R262 PolarHBondContact O-N 3.22Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R262-R264 PolarHBondContact O-N 3.05Å; R262-R265 WeakPolarHBondContact O-CB 3.37Å; R262-R265 PolarHBondContact O-N 2.91Å; R262-E266 PolarHBondContact O-N 3.14Å |
| 263 | A | 94.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 125.2 Ų | 125.2 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -56.4 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A259 E260 R265 E266 A267 | A259-A263 PolarHBondContact O-N 3.18Å; E260-A263 PolarHBondContact O-N 2.91Å; A263-R265 VanDerWaalsContact C-N 3.3Å; A263-R265 PolarHBondContact O-N 3.45Å; A263-E266 WeakPolarHBondContact O-CB 3.24Å; A263-E266 PolarHBondContact O-N 3.07Å; A263-E266 VanDerWaalsContact O-N 3.17Å; A263-A267 PolarHBondContact O-N 3.33Å |
| 264 | R | 96.2 | Very high | 94.9 | Very high | 201 Ų | 201 | 125.2 Ų | 125.2 | 76% | 0.758 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66 | -28.3 | 176.6 | -170.7 | 171.8 | 179.3 | 179.2 | -0.5 | 113.5 | E260 R262 K268 | E260-R264 WeakPolarHBondContact O-CB 3.47Å; E260-R264 PolarHBondContact O-N 3.34Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R262-R264 PolarHBondContact O-N 3.05Å; R264-K268 WeakPolarHBondContact O-CB 3.22Å; R264-K268 PolarHBondContact O-N 3.37Å |
| 265 | R | 95.9 | Very high | 94.9 | Very high | 186 Ų | 186 | 129 Ų | 129 | 70% | 0.702 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.9 | -34.4 | 173 | -73.1 | 171 | 174.2 | -173.6 | -4.4 | 111.7 | R261 R262 A263 R269 | R261-R265 WeakPolarHBondContact O-CD 3.23Å; R261-R265 VanDerWaalsContact O-CG 3.29Å; R261-R265 WeakPolarHBondContact O-CG 3.49Å; R262-R265 WeakPolarHBondContact O-CB 3.37Å; R262-R265 PolarHBondContact O-N 2.91Å; A263-R265 VanDerWaalsContact C-N 3.3Å; A263-R265 PolarHBondContact O-N 3.45Å; R265-R269 WeakPolarHBondContact O-CG 3.4Å; R265-R269 PolarHBondContact O-N 2.93Å; R265-R269 VanDerWaalsContact O-N 3.11Å |
| 266 | E | 93.9 | Very high | 94.9 | Very high | 122 Ų | 122 | 130.9 Ų | 130.9 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.9 | -50.7 | 175.9 | -159.7 | 169.6 | 148.8 | 0 | 0 | 111 | R262 A263 K268 R269 E270 | R262-E266 PolarHBondContact O-N 3.14Å; A263-E266 WeakPolarHBondContact O-CB 3.24Å; A263-E266 PolarHBondContact O-N 3.07Å; A263-E266 VanDerWaalsContact O-N 3.17Å; E266-K268 VanDerWaalsContact C-N 3.28Å; E266-K268 PolarHBondContact O-N 3.01Å; E266-R269 WeakPolarHBondContact O-CA 3.43Å; E266-R269 WeakPolarHBondContact O-CB 3.47Å; E266-R269 PolarHBondContact O-N 2.98Å; E266-E270 PolarHBondContact O-N 2.92Å |
| 267 | A | 95.8 | Very high | 94.9 | Very high | 62 Ų | 62 | 129.8 Ų | 129.8 | 51% | 0.512 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.2 | -37.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A263 R269 E270 L271 | A263-A267 PolarHBondContact O-N 3.33Å; A267-R269 VanDerWaalsContact C-N 3.32Å; A267-R269 PolarHBondContact O-N 2.86Å; A267-E270 PolarHBondContact O-N 3.16Å; A267-L271 WeakPolarHBondContact O-CB 3.4Å; A267-L271 PolarHBondContact O-N 3.39Å |
| 268 | K | 97.2 | Very high | 94.7 | Very high | 147 Ų | 147 | 128.8 Ų | 128.8 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71 | -22.6 | 174.6 | -172.6 | 167.5 | -177.5 | 173.7 | 0 | 113.5 | R264 E266 | R264-K268 WeakPolarHBondContact O-CB 3.22Å; R264-K268 PolarHBondContact O-N 3.37Å; E266-K268 VanDerWaalsContact C-N 3.28Å; E266-K268 PolarHBondContact O-N 3.01Å |
| 269 | R | 96.3 | Very high | 94.6 | Very high | 191 Ų | 191 | 126.1 Ų | 126.1 | 72% | 0.721 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.8 | -45.3 | 169.9 | -73.9 | 167.2 | 173 | 175 | -6.2 | 110.5 | R265 E266 A267 K272 R273 | R265-R269 WeakPolarHBondContact O-CG 3.4Å; R265-R269 PolarHBondContact O-N 2.93Å; R265-R269 VanDerWaalsContact O-N 3.11Å; E266-R269 WeakPolarHBondContact O-CA 3.43Å; E266-R269 WeakPolarHBondContact O-CB 3.47Å; E266-R269 PolarHBondContact O-N 2.98Å; A267-R269 VanDerWaalsContact C-N 3.32Å; A267-R269 PolarHBondContact O-N 2.86Å; R269-K272 CarbonylContact O-C 3.54Å; R269-K272 WeakPolarHBondContact O-CA 3.37Å; R269-K272 WeakPolarHBondContact O-CB 3.33Å; R269-K272 PolarHBondContact O-N 2.96Å; R269-K272 VanDerWaalsContact O-N 3.12Å; R269-R273 PolarHBondContact O-N 3.25Å |
| 270 | E | 94.6 | Very high | 94.3 | Very high | 79 Ų | 79 | 125.7 Ų | 125.7 | 37% | 0.369 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -41.8 | -179.5 | -171.7 | 54.6 | -156.7 | 0 | 0 | 112 | E266 A267 K272 R273 L274 | E266-E270 PolarHBondContact O-N 2.92Å; A267-E270 PolarHBondContact O-N 3.16Å; E270-K272 PolarHBondContact O-N 3.03Å; E270-R273 VanDerWaalsContact CD-NE 3.28Å; E270-R273 CarbonylContact O-C 3.56Å; E270-R273 WeakPolarHBondContact O-CA 3.4Å; E270-R273 WeakPolarHBondContact O-CB 3.39Å; E270-R273 PolarHBondContact O-N 3.06Å; E270-R273 IonicContact OE1-CZ 3.69Å; E270-R273 IonicContact OE1-NE 3.65Å; E270-R273 PolarHBondContact OE1-NE 3.35Å; E270-R273 IonicContact OE1-NH2 2.62Å; E270-R273 PolarHBondContact OE1-NH2 3.1Å; E270-R273 WeakPolarHBondContact OE2-CD 3.31Å; E270-R273 IonicContact OE2-CZ 2.71Å; E270-R273 IonicContact OE2-NE 3.4Å; E270-R273 PolarHBondContact OE2-NE 3.39Å; E270-L274 HydrophobicContact CG-CD1 4.35Å; E270-L274 HydrophobicContact CG-CG 4.47Å; E270-L274 WeakPolarHBondContact O-CG 3.37Å; E270-L274 PolarHBondContact O-N 3.18Å |
| 271 | L | 95.7 | Very high | 94 | Very high | 123 Ų | 123 | 124.5 Ų | 124.5 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.3 | -34.8 | 171.9 | -175.7 | 63.3 | 0 | 0 | 0 | 112.5 | A267 H275 | A267-L271 WeakPolarHBondContact O-CB 3.4Å; A267-L271 PolarHBondContact O-N 3.39Å; L271-H275 VanDerWaalsContact O-CB 3.28Å; L271-H275 WeakPolarHBondContact O-CB 3.5Å; L271-H275 PolarHBondContact O-N 3.19Å |
| 272 | K | 96.2 | Very high | 93.2 | Very high | 155 Ų | 155 | 123.1 Ų | 123.1 | 67% | 0.674 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.7 | -32.8 | 172 | -83.2 | -167.6 | 168.5 | -156.2 | 0 | 113 | R269 E270 K276 | R269-K272 CarbonylContact O-C 3.54Å; R269-K272 WeakPolarHBondContact O-CA 3.37Å; R269-K272 WeakPolarHBondContact O-CB 3.33Å; R269-K272 PolarHBondContact O-N 2.96Å; R269-K272 VanDerWaalsContact O-N 3.12Å; E270-K272 PolarHBondContact O-N 3.03Å; K272-K276 PolarHBondContact O-N 3.45Å |
| 273 | R | 95.7 | Very high | 92.4 | Very high | 130 Ų | 130 | 118.2 Ų | 118.2 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.5 | -48.6 | 175.2 | -163.5 | -173.1 | 72.9 | 88.1 | 9 | 110.3 | R269 E270 K276 L277 | R269-R273 PolarHBondContact O-N 3.25Å; E270-R273 VanDerWaalsContact CD-NE 3.28Å; E270-R273 CarbonylContact O-C 3.56Å; E270-R273 WeakPolarHBondContact O-CA 3.4Å; E270-R273 WeakPolarHBondContact O-CB 3.39Å; E270-R273 PolarHBondContact O-N 3.06Å; E270-R273 IonicContact OE1-CZ 3.69Å; E270-R273 IonicContact OE1-NE 3.65Å; E270-R273 PolarHBondContact OE1-NE 3.35Å; E270-R273 IonicContact OE1-NH2 2.62Å; E270-R273 PolarHBondContact OE1-NH2 3.1Å; E270-R273 WeakPolarHBondContact OE2-CD 3.31Å; E270-R273 IonicContact OE2-CZ 2.71Å; E270-R273 IonicContact OE2-NE 3.4Å; E270-R273 PolarHBondContact OE2-NE 3.39Å; R273-K276 WeakPolarHBondContact O-CB 3.31Å; R273-K276 PolarHBondContact O-N 2.91Å; R273-K276 VanDerWaalsContact O-N 3.14Å; R273-L277 WeakPolarHBondContact O-CG 3.47Å; R273-L277 PolarHBondContact O-N 3.01Å |
| 274 | L | 95.4 | Very high | 91.5 | Very high | 87 Ų | 87 | 121.7 Ų | 121.7 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.5 | -46.2 | 175.4 | -64.6 | 174.1 | 0 | 0 | 0 | 111.8 | E270 K276 L277 E278 | E270-L274 HydrophobicContact CG-CD1 4.35Å; E270-L274 HydrophobicContact CG-CG 4.47Å; E270-L274 WeakPolarHBondContact O-CG 3.37Å; E270-L274 PolarHBondContact O-N 3.18Å; L274-K276 VanDerWaalsContact C-N 3.27Å; L274-K276 PolarHBondContact O-N 2.87Å; L274-L277 PolarHBondContact O-N 3.47Å; L274-L277 VanDerWaalsContact O-N 3.13Å; L274-E278 PolarHBondContact O-N 3.33Å |
| 275 | H | 95.2 | Very high | 90.1 | Very high | 141 Ų | 141 | 117.3 Ų | 117.3 | 65% | 0.653 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -27 | 175.2 | -174.9 | -78.8 | 0 | 0 | 0 | 113.3 | L271 K279 | L271-H275 VanDerWaalsContact O-CB 3.28Å; L271-H275 WeakPolarHBondContact O-CB 3.5Å; L271-H275 PolarHBondContact O-N 3.19Å; H275-K279 WeakPolarHBondContact O-CB 3.28Å; H275-K279 PolarHBondContact O-N 2.93Å |
| 276 | K | 93.8 | Very high | 88.4 | Confident | 154 Ų | 154 | 111.1 Ų | 111.1 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.9 | -44.8 | 170.4 | -168.9 | -172 | 175.7 | -167 | 0 | 110.8 | K272 R273 L274 K279 C280 | K272-K276 PolarHBondContact O-N 3.45Å; R273-K276 WeakPolarHBondContact O-CB 3.31Å; R273-K276 PolarHBondContact O-N 2.91Å; R273-K276 VanDerWaalsContact O-N 3.14Å; L274-K276 VanDerWaalsContact C-N 3.27Å; L274-K276 PolarHBondContact O-N 2.87Å; K276-K279 PolarHBondContact O-N 2.91Å; K276-C280 PolarHBondContact O-N 2.85Å; K276-C280 PolarHBondContact O-SG 3.05Å; K276-C280 VanDerWaalsContact O-SG 3.41Å |
| 277 | L | 92.3 | Very high | 86.6 | Confident | 89 Ų | 89 | 109.7 Ų | 109.7 | 47% | 0.466 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 178.6 | -71.2 | 171.7 | 0 | 0 | 0 | 112.1 | R273 L274 K279 C280 R281 | R273-L277 WeakPolarHBondContact O-CG 3.47Å; R273-L277 PolarHBondContact O-N 3.01Å; L274-L277 PolarHBondContact O-N 3.47Å; L274-L277 VanDerWaalsContact O-N 3.13Å; L277-K279 VanDerWaalsContact C-N 3.29Å; L277-K279 PolarHBondContact O-N 3.15Å; L277-C280 WeakPolarHBondContact O-CA 3.36Å; L277-C280 WeakPolarHBondContact O-CB 3.44Å; L277-C280 PolarHBondContact O-N 2.92Å; L277-R281 PolarHBondContact O-N 3.35Å |
| 278 | E | 90.9 | Very high | 84.6 | Confident | 82 Ų | 82 | 113.7 Ų | 113.7 | 38% | 0.383 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.4 | -34.4 | 177.9 | -172.3 | 59.4 | -164.9 | 0 | 0 | 111.6 | L274 C280 R281 L282 | L274-E278 PolarHBondContact O-N 3.33Å; E278-C280 PolarHBondContact O-N 3.39Å; E278-R281 PolarHBondContact O-N 3.41Å; E278-R281 IonicContact OE1-CZ 2.71Å; E278-R281 IonicContact OE1-NE 3.86Å; E278-R281 PolarHBondContact OE1-NE 3.22Å; E278-R281 IonicContact OE1-NH2 3.36Å; E278-R281 PolarHBondContact OE1-NH2 2.92Å; E278-R281 IonicContact OE2-CZ 2.68Å; E278-R281 IonicContact OE2-NE 3.38Å; E278-R281 PolarHBondContact OE2-NE 3.3Å; E278-R281 IonicContact OE2-NH2 2.82Å; E278-L282 HydrophobicContact CG-CD1 4.29Å; E278-L282 WeakPolarHBondContact O-CB 3.2Å; E278-L282 VanDerWaalsContact O-CG 3.29Å; E278-L282 WeakPolarHBondContact O-CG 3.33Å; E278-L282 PolarHBondContact O-N 3.13Å |
| 279 | K | 91.3 | Very high | 82.5 | Confident | 142 Ų | 142 | 113.3 Ų | 113.3 | 62% | 0.617 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.9 | -40.4 | 170.3 | -174.8 | 172.7 | -179.9 | 179.8 | 0 | 112.1 | H275 K276 L277 T283 | H275-K279 WeakPolarHBondContact O-CB 3.28Å; H275-K279 PolarHBondContact O-N 2.93Å; K276-K279 PolarHBondContact O-N 2.91Å; L277-K279 VanDerWaalsContact C-N 3.29Å; L277-K279 PolarHBondContact O-N 3.15Å; K279-T283 PolarHBondContact O-N 2.94Å; K279-T283 VanDerWaalsContact O-N 3.08Å; K279-T283 PolarHBondContact O-OG1 2.83Å; K279-T283 VanDerWaalsContact O-OG1 3.12Å |
| 280 | C | 86.9 | Confident | 80.3 | Confident | 50 Ų | 50 | 113.3 Ų | 113.3 | 34% | 0.338 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.5 | -46.8 | 174.5 | -69.3 | 0 | 0 | 0 | 0 | 111.5 | K276 L277 E278 L282 T283 E284 | K276-C280 PolarHBondContact O-N 2.85Å; K276-C280 PolarHBondContact O-SG 3.05Å; K276-C280 VanDerWaalsContact O-SG 3.41Å; L277-C280 WeakPolarHBondContact O-CA 3.36Å; L277-C280 WeakPolarHBondContact O-CB 3.44Å; L277-C280 PolarHBondContact O-N 2.92Å; E278-C280 PolarHBondContact O-N 3.39Å; C280-L282 VanDerWaalsContact C-N 3.3Å; C280-L282 PolarHBondContact O-N 3.5Å; C280-T283 WeakPolarHBondContact CA-OG1 3.33Å; C280-T283 PolarHBondContact O-N 3.37Å; C280-T283 PolarHBondContact O-OG1 2.95Å; C280-E284 WeakPolarHBondContact O-CG 3.37Å; C280-E284 PolarHBondContact O-N 2.91Å |
| 281 | R | 86.3 | Confident | 77.9 | Confident | 103 Ų | 103 | 117 Ų | 117 | 39% | 0.389 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.1 | -40.8 | 178.1 | -159 | -172.7 | 71.6 | 68.6 | 10.3 | 112.3 | L277 E278 E284 Q285 | L277-R281 PolarHBondContact O-N 3.35Å; E278-R281 PolarHBondContact O-N 3.41Å; E278-R281 IonicContact OE1-CZ 2.71Å; E278-R281 IonicContact OE1-NE 3.86Å; E278-R281 PolarHBondContact OE1-NE 3.22Å; E278-R281 IonicContact OE1-NH2 3.36Å; E278-R281 PolarHBondContact OE1-NH2 2.92Å; E278-R281 IonicContact OE2-CZ 2.68Å; E278-R281 IonicContact OE2-NE 3.38Å; E278-R281 PolarHBondContact OE2-NE 3.3Å; E278-R281 IonicContact OE2-NH2 2.82Å; R281-E284 PolarHBondContact O-N 3.2Å; R281-Q285 WeakPolarHBondContact O-CG 3.34Å; R281-Q285 PolarHBondContact O-N 2.99Å |
| 282 | L | 80.4 | Confident | 75.6 | Confident | 98 Ų | 98 | 117.7 Ų | 117.7 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.3 | -34.2 | 175.5 | -70.4 | 169.9 | 0 | 0 | 0 | 113 | E278 C280 G286 | E278-L282 HydrophobicContact CG-CD1 4.29Å; E278-L282 WeakPolarHBondContact O-CB 3.2Å; E278-L282 VanDerWaalsContact O-CG 3.29Å; E278-L282 WeakPolarHBondContact O-CG 3.33Å; E278-L282 PolarHBondContact O-N 3.13Å; C280-L282 VanDerWaalsContact C-N 3.3Å; C280-L282 PolarHBondContact O-N 3.5Å; L282-G286 PolarHBondContact O-N 3.25Å |
| 283 | T | 75.7 | Confident | 72.8 | Confident | 85 Ų | 85 | 119.8 Ų | 119.8 | 52% | 0.521 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.1 | -27.9 | 172.8 | 47 | 0 | 0 | 0 | 0 | 113.3 | K279 C280 S287 | K279-T283 PolarHBondContact O-N 2.94Å; K279-T283 VanDerWaalsContact O-N 3.08Å; K279-T283 PolarHBondContact O-OG1 2.83Å; K279-T283 VanDerWaalsContact O-OG1 3.12Å; C280-T283 WeakPolarHBondContact CA-OG1 3.33Å; C280-T283 PolarHBondContact O-N 3.37Å; C280-T283 PolarHBondContact O-OG1 2.95Å; T283-S287 WeakPolarHBondContact O-CB 3.49Å; T283-S287 PolarHBondContact O-N 3.03Å |
| 284 | E | 75.3 | Confident | 70 | Confident | 128 Ų | 128 | 122.7 Ų | 122.7 | 60% | 0.598 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.6 | -45.5 | 174.1 | -73.9 | 161.8 | -175.7 | 0 | 0 | 111 | C280 R281 S287 | C280-E284 WeakPolarHBondContact O-CG 3.37Å; C280-E284 PolarHBondContact O-N 2.91Å; R281-E284 PolarHBondContact O-N 3.2Å; E284-S287 PolarHBondContact O-N 3.17Å |
| 285 | Q | 67.3 | Low | 67.6 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 51% | 0.514 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.2 | -43.9 | 174.2 | -68.1 | -165.5 | -70.9 | 0 | 0 | 112.1 | R281 S287 L288 | R281-Q285 WeakPolarHBondContact O-CG 3.34Å; R281-Q285 PolarHBondContact O-N 2.99Å; Q285-S287 PolarHBondContact O-N 3.04Å; Q285-S287 VanDerWaalsContact O-N 3.08Å; Q285-L288 PolarHBondContact O-N 2.93Å |
| 286 | G | 59.5 | Low | 65 | Low | 55 Ų | 55 | 124.8 Ų | 124.8 | 57% | 0.567 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 0.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L282 | L282-G286 PolarHBondContact O-N 3.25Š|
| 287 | S | 57.3 | Low | 62.4 | Low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 4.2 | 177 | -168.7 | 0 | 0 | 0 | 0 | 113.4 | T283 E284 Q285 | T283-S287 WeakPolarHBondContact O-CB 3.49Å; T283-S287 PolarHBondContact O-N 3.03Å; E284-S287 PolarHBondContact O-N 3.17Å; Q285-S287 PolarHBondContact O-N 3.04Å; Q285-S287 VanDerWaalsContact O-N 3.08Å |
| 288 | L | 53.7 | Low | 59.9 | Low | 146 Ų | 146 | 131.1 Ų | 131.1 | 76% | 0.764 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -112.6 | -5.8 | 179.2 | -76 | 166.3 | 0 | 0 | 0 | 114 | Q285 | Q285-L288 PolarHBondContact O-N 2.93Š|
| 289 | D | 53.5 | Low | 57.5 | Low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -103.8 | 31.8 | -179.8 | -74.6 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 290 | F | 48.7 | Very low | 55.6 | Low | 191 Ų | 191 | 132.2 Ų | 132.2 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -134.7 | 7.8 | -175.3 | -121.6 | -84.9 | 0 | 0 | 0 | 117 | ||
| 291 | D | 45.3 | Very low | 53.4 | Low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -127.6 | 151.4 | 166.3 | -88 | -61.8 | 0 | 0 | 0 | 109.1 | ||
| 292 | V | 47.3 | Very low | 51.4 | Low | 138 Ų | 138 | 137.5 Ų | 137.5 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | 71.1 | 78.4 | -176.4 | -165.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 293 | Q | 36.2 | Very low | 49.3 | Very low | 199 Ų | 199 | 138.7 Ų | 138.7 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | -167.8 | 86.9 | 125.5 | -108.8 | 176.1 | 7.3 | 0 | 0 | 113.6 | |||||
| 294 | E | 38.6 | Very low | 47.6 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -145 | 76.2 | 162.1 | -169 | 172 | -136.7 | 0 | 0 | 111 | ||||
| 295 | S | 44.7 | Very low | 45.9 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | 174.7 | 97.1 | 156.2 | 33.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 296 | N | 40.9 | Very low | 44.5 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | 173.6 | 135.2 | 120.8 | -97.9 | -58.6 | 0 | 0 | 0 | 112.3 | |||||
| 297 | T | 38.8 | Very low | 43.5 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -134.5 | 90.2 | -179.3 | 42.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 298 | R | 39 | Very low | 42.6 | Very low | 239 Ų | 239 | 146.3 Ų | 146.3 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -169 | 113.9 | 156.3 | -106 | 156.3 | 179.8 | 171.3 | 0 | 108 | ||||
| 299 | N | 41.4 | Very low | 42 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | 73.9 | 135.6 | 37 | -155.3 | 51.2 | 0 | 0 | 0 | 112.5 | ||||
| 300 | P | 51 | Low | 41.2 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | -135 | 177.6 | -52.5 | 38.7 | -24.4 | 0 | 0 | 0 | 112.2 | |||||
| 301 | D | 39.9 | Very low | 40.6 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -156.5 | 167.7 | 147.1 | -130.4 | -29 | 0 | 0 | 0 | 114.4 | ||||
| 302 | V | 44.4 | Very low | 40.2 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -44.3 | 165.4 | -178.8 | -65.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 303 | N | 37.2 | Very low | 39.7 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 66% | 0.658 | 79% | 0.787 | S | S | * | * | cis | -165.4 | 158 | 12.2 | -134.6 | -12.1 | 0 | 0 | 0 | 111.9 | ||||
| 304 | L | 39.6 | Very low | 39.8 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 71% | 0.707 | 78% | 0.778 | S | S | * | * | trans | 58.2 | 152 | 152.8 | -60.4 | 157.9 | 0 | 0 | 0 | 118.3 | ||||
| 305 | E | 39.1 | Very low | 39.9 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | cis | -148.2 | 167.9 | 4.4 | -141.4 | 158.5 | 137 | 0 | 0 | 113.1 | ||||
| 306 | S | 38 | Very low | 39.4 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -79.9 | 144.4 | -158 | -49.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 307 | S | 39.3 | Very low | 39.1 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -177.2 | 159.6 | 149.2 | -84.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 308 | S | 39.3 | Very low | 38.9 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | cis | -166.5 | 175.3 | -36.8 | -155.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 309 | N | 40.1 | Very low | 38.4 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 49.6 | 88.2 | 158.2 | -54.4 | -6.2 | 0 | 0 | 0 | 117.4 | ||||
| 310 | H | 37.4 | Very low | 38.1 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | 61.3 | 109.4 | 90.1 | -74.8 | 35.1 | 0 | 0 | 0 | 114.5 | |||||
| 311 | A | 35.5 | Very low | 37.3 | Very low | 83 Ų | 83 | 138.2 Ų | 138.2 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | 74.5 | 111.3 | 57 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 312 | W | 37 | Very low | 37.1 | Very low | 263 Ų | 263 | 139.2 Ų | 139.2 | 100% | 0.996 | 76% | 0.755 | S | S | * | * | trans | -129.2 | 113.3 | 156.3 | -81.5 | 62.4 | 0 | 0 | 0 | 105.4 | ||||
| 313 | D | 37.1 | Very low | 36.7 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -112.2 | -162.4 | -179.5 | -154.6 | -27.5 | 0 | 0 | 0 | 108.6 | ||||
| 314 | E | 38.5 | Very low | 36.5 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 77 | 122.4 | -175.3 | -50.3 | -171.1 | 162.8 | 0 | 0 | 114 | ||||
| 315 | N | 40.2 | Very low | 36.9 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | cis | -134.2 | 147.3 | 30.9 | -95.9 | -79.9 | 0 | 0 | 0 | 115.6 | ||||
| 316 | H | 33.2 | Very low | 36.8 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | trans | -81.2 | 143.5 | 173.9 | -74.3 | -110 | 0 | 0 | 0 | 112.9 | ||||
| 317 | W | 34.6 | Very low | 36.8 | Very low | 249 Ų | 249 | 139.7 Ų | 139.7 | 94% | 0.943 | 76% | 0.757 | S | S | * | * | -160.9 | 121.4 | 121.8 | -81.6 | -29.5 | 0 | 0 | 0 | 106.5 | |||||
| 318 | S | 34.5 | Very low | 36.6 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | cis | 67.2 | 136.9 | 47 | -52.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 319 | S | 29.9 | Very low | 36.6 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | cis | -169.9 | 177 | -11.3 | -97.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 320 | A | 34.1 | Very low | 36.6 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | 74 | 133.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 321 | S | 34 | Very low | 36.7 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | cis | 101.5 | 157.1 | 22.9 | -64.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 322 | H | 35.6 | Very low | 36.9 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | 80.3 | 112.4 | 176 | -64.2 | -70.3 | 0 | 0 | 0 | 115.1 | ||||
| 323 | S | 35.6 | Very low | 37.1 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | 92.1 | 139.8 | 53.8 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 324 | E | 34.5 | Very low | 37 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | cis | -156.2 | -172 | 3.4 | -121.5 | -162.5 | 133.7 | 0 | 0 | 110 | ||||
| 325 | P | 48.3 | Very low | 37 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | -105 | -132.7 | -162.5 | 44.2 | -41.5 | 0 | 0 | 0 | 115.6 | ||||
| 326 | V | 35.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | trans | 83.1 | 142 | -179.3 | -171.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 327 | Q | 39.3 | Very low | 37.3 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | cis | -140.4 | 124 | 17.4 | -135.7 | 130.2 | 25.7 | 0 | 0 | 109.6 | ||||
| 328 | T | 35 | Very low | 37.4 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | 50.8 | 131.7 | 100.6 | 75.7 | 0 | 0 | 0 | 0 | 119 | |||||
| 329 | N | 38.5 | Very low | 37.6 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | 157.2 | 164.1 | 124.4 | -75.1 | 4 | 0 | 0 | 0 | 112.8 | |||||
| 330 | E | 40 | Very low | 38.3 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | -149 | -171.2 | -68.7 | -71.9 | -141.5 | 148.4 | 0 | 0 | 109.3 | |||||
| 331 | D | 40.6 | Very low | 38.4 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 69.9 | 125.7 | 177.3 | -93.3 | -13.2 | 0 | 0 | 0 | 118.7 | ||||
| 332 | S | 39.8 | Very low | 38.8 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 89.2 | 141 | 54.5 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 333 | T | 41.2 | Very low | 39.2 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | cis | -136.7 | 142.4 | 8.9 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 334 | D | 33.4 | Very low | 39.2 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | 68.2 | 148.8 | 72.1 | -162.7 | 32.7 | 0 | 0 | 0 | 117 | |||||
| 335 | S | 39.8 | Very low | 39.6 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 97.8 | 139.7 | -174.9 | -52.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 336 | S | 37.1 | Very low | 39.2 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | 175.7 | 168.1 | -57.3 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 337 | S | 41.2 | Very low | 39.5 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | 75.9 | 158.8 | 172 | 83.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 338 | N | 37.7 | Very low | 39.6 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | -171 | 118.6 | -56.1 | -111.5 | -52.1 | 0 | 0 | 0 | 111.2 | |||||
| 339 | K | 39.2 | Very low | 39.8 | Very low | 186 Ų | 186 | 131.2 Ų | 131.2 | 81% | 0.809 | 75% | 0.745 | S | S | * | * | trans | 66.5 | -173.3 | 149.6 | -50.4 | -179.4 | 179.9 | -178.9 | 0 | 116.5 | ||||
| 340 | P | 43.2 | Very low | 40.1 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | -136.5 | -163.9 | -93 | 42.7 | -23.2 | 0 | 0 | 0 | 113.9 | |||||
| 341 | I | 37.5 | Very low | 40.1 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | trans | 145.2 | 148.8 | 145.5 | -75.7 | 157.6 | 0 | 0 | 0 | 111.7 | ||||
| 342 | V | 41.4 | Very low | 40.3 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -134.4 | 135 | 178.7 | -179 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 343 | P | 43.7 | Very low | 40.4 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | -132.7 | 153.9 | 121.8 | 13.2 | 8.7 | 0 | 0 | 0 | 111.7 | |||||
| 344 | T | 37.3 | Very low | 40.3 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | cis | 92.4 | 138.2 | 33.6 | -50.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 345 | L | 41.7 | Very low | 40.5 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 76.2 | 147.1 | 178.9 | -64.9 | 119.3 | 0 | 0 | 0 | 117.7 | ||||
| 346 | D | 41.3 | Very low | 40.6 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 58% | 0.578 | 73% | 0.725 | S | S | * | * | cis | -169.7 | -177.2 | -33.8 | -136.5 | -68.4 | 0 | 0 | 0 | 110.6 | K348 | D346-K348 IonicContact OD1-NZ 2.86Å; D346-K348 PolarHBondContact OD1-NZ 2.93Å | ||
| 347 | D | 40.5 | Very low | 40.7 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | trans | 70.6 | 154 | 156.5 | -73.2 | -32.6 | 0 | 0 | 0 | 121.1 | ||||
| 348 | K | 42.2 | Very low | 40.6 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | cis | -179.4 | 147.7 | -49.7 | -108.3 | -179.1 | -148.9 | 76.6 | 0 | 109.4 | D346 | D346-K348 IonicContact OD1-NZ 2.86Å; D346-K348 PolarHBondContact OD1-NZ 2.93Å | ||
| 349 | C | 39.5 | Very low | 41 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | trans | 169.7 | 115.4 | 145.9 | -91.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 350 | A | 43.5 | Very low | 41 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | 78.5 | 139.7 | 57.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 351 | N | 39.9 | Very low | 40.8 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | cis | -155.2 | 155.5 | 13.3 | -138.7 | 11.2 | 0 | 0 | 0 | 113.8 | ||||
| 352 | P | 46 | Very low | 41 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | trans | -117.4 | 178.4 | 176.7 | 42.6 | -32.4 | 0 | 0 | 0 | 115.2 | ||||
| 353 | L | 42.1 | Very low | 41.1 | Very low | 159 Ų | 159 | 130 Ų | 130 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | trans | -154.6 | 163.1 | 171.9 | -56.6 | 174.2 | 0 | 0 | 0 | 106.2 | ||||
| 354 | L | 38.8 | Very low | 41.1 | Very low | 133 Ų | 133 | 132 Ų | 132 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | cis | -174.7 | 173.7 | -14.4 | -122.5 | 61.2 | 0 | 0 | 0 | 104.7 | ||||
| 355 | F | 37.9 | Very low | 41.2 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 74% | 0.737 | 72% | 0.719 | S | S | * | * | cis | -176.3 | 160.1 | -19.2 | -122.5 | -157.3 | 0 | 0 | 0 | 105.5 | ||||
| 356 | I | 41.4 | Very low | 40.9 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 54% | 0.544 | 71% | 0.713 | S | S | . | * | cis | -166 | 157.3 | -14.2 | -140.8 | -167.7 | 0 | 0 | 0 | 109.1 | ||||
| 357 | H | 39.4 | Very low | 40.6 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | trans | 63 | 159.6 | 165 | -73.5 | -146 | 0 | 0 | 0 | 118.6 | ||||
| 358 | Q | 39.2 | Very low | 40.3 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | cis | -158.3 | 166.1 | -24.8 | -112 | -178.7 | -52.2 | 0 | 0 | 109.1 | ||||
| 359 | P | 44.8 | Very low | 40.1 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | trans | -96.2 | -158.3 | 175.5 | 37.1 | -28.3 | 0 | 0 | 0 | 113.3 | ||||
| 360 | N | 38.9 | Very low | 40 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | trans | 87.4 | 146.2 | 178.4 | -63.5 | 54.4 | 0 | 0 | 0 | 115.1 | ||||
| 361 | D | 40 | Very low | 39.7 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | cis | -160.7 | 164.7 | -8.5 | -96.3 | -14.9 | 0 | 0 | 0 | 111.3 | ||||
| 362 | D | 41.7 | Very low | 39.3 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | trans | 67.2 | 146.5 | 145.7 | -61.5 | -17.7 | 0 | 0 | 0 | 127.3 | ||||
| 363 | D | 43.1 | Very low | 39 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | trans | 78 | 116 | 146.4 | -65.2 | -11.6 | 0 | 0 | 0 | 127.3 | ||||
| 364 | D | 43.7 | Very low | 38.8 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | 64.8 | 149 | 134.1 | -79.7 | -19 | 0 | 0 | 0 | 125.1 | ||||
| 365 | G | 38.7 | Very low | 38.6 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | trans | 167.2 | 5.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 366 | I | 36.3 | Very low | 38.4 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 68% | 0.677 | 71% | 0.706 | S | S | * | * | trans | -2.2 | 129.1 | 169.8 | -51.9 | 172.2 | 0 | 0 | 0 | 119.5 | ||||
| 367 | F | 35.1 | Very low | 38.3 | Very low | 192 Ų | 192 | 128.9 Ų | 128.9 | 84% | 0.842 | 72% | 0.72 | S | S | * | * | 168.7 | 120.8 | 127.2 | -103.5 | -86.8 | 0 | 0 | 0 | 108.6 | |||||
| 368 | S | 34.7 | Very low | 38.2 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | 68.8 | 135.7 | 56.8 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 369 | T | 36.9 | Very low | 38.1 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 61% | 0.613 | 73% | 0.733 | S | S | * | * | cis | -169.6 | 165.6 | 10 | 4.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 370 | H | 38.8 | Very low | 37.8 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | trans | 66 | 158.7 | 149.6 | -66.2 | -33.8 | 0 | 0 | 0 | 119.2 | ||||
| 371 | Q | 36.4 | Very low | 37.6 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | cis | -152.1 | 165.8 | -11 | -124.9 | 154.5 | -11.5 | 0 | 0 | 112.9 | ||||
| 372 | N | 32.3 | Very low | 37.4 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -55.8 | 164.6 | 173.1 | -44.9 | -13.8 | 0 | 0 | 0 | 114.9 | ||||
| 373 | D | 39.2 | Very low | 36.9 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | 169.3 | 149.2 | 101 | -95.2 | -20.8 | 0 | 0 | 0 | 115.8 | |||||
| 374 | N | 36.7 | Very low | 36.8 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 62.4 | 114.2 | 153.1 | -65.9 | -42 | 0 | 0 | 0 | 120.6 | ||||
| 375 | S | 35.1 | Very low | 36.4 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | 81.3 | 109 | 83.1 | -61.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 376 | S | 34.2 | Very low | 36.6 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | 77.7 | 115.6 | 66.5 | -168.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 377 | S | 38.6 | Very low | 36.6 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -169.8 | 132.4 | 157.9 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 378 | D | 37.9 | Very low | 36.7 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -82.8 | 170.7 | -179.5 | -58.9 | -83.4 | 0 | 0 | 0 | 114.1 | ||||
| 379 | G | 37.8 | Very low | 36.7 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | -158.2 | 114.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 380 | E | 37.7 | Very low | 36.4 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -116.1 | 172 | -157 | -158.4 | -164.9 | -150.7 | 0 | 0 | 113.4 | ||||
| 381 | L | 35.6 | Very low | 36.2 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | 74.7 | 154.7 | 165.9 | -47.4 | 176.4 | 0 | 0 | 0 | 115.9 | ||||
| 382 | L | 33.9 | Very low | 36 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | cis | -144.1 | 142.2 | 4.9 | -165.9 | 76.8 | 0 | 0 | 0 | 110.8 | ||||
| 383 | T | 31.5 | Very low | 36.4 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -91.7 | 148.9 | 169 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 384 | K | 41.5 | Very low | 36.2 | Very low | 192 Ų | 192 | 134 Ų | 134 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -142 | 131.1 | 158.8 | -75.6 | -163.7 | 174.6 | -179.6 | 0 | 111.2 | ||||
| 385 | E | 35.6 | Very low | 36.1 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -78.3 | 163.7 | 175.7 | -57.4 | -174.7 | 131.5 | 0 | 0 | 112.6 | K387 | E385-K387 WeakPolarHBondContact OE1-CE 3.44Å; E385-K387 IonicContact OE1-NZ 3.69Å; E385-K387 PolarHBondContact OE1-NZ 3.36Å; E385-K387 WeakPolarHBondContact OE2-CE 3.26Å; E385-K387 IonicContact OE2-NZ 2.79Å; E385-K387 PolarHBondContact OE2-NZ 2.7Å | ||
| 386 | M | 42.1 | Very low | 36.2 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -143.6 | 115.4 | 135.8 | -158 | 68.9 | 176.7 | 0 | 0 | 109.2 | ||||
| 387 | K | 38 | Very low | 36.6 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 60% | 0.604 | 77% | 0.769 | S | S | * | * | trans | -84.7 | 154.8 | -179.4 | -69.3 | 171.9 | 168.7 | 121.3 | 0 | 111.5 | E385 | E385-K387 WeakPolarHBondContact OE1-CE 3.44Å; E385-K387 IonicContact OE1-NZ 3.69Å; E385-K387 PolarHBondContact OE1-NZ 3.36Å; E385-K387 WeakPolarHBondContact OE2-CE 3.26Å; E385-K387 IonicContact OE2-NZ 2.79Å; E385-K387 PolarHBondContact OE2-NZ 2.7Å | ||
| 388 | F | 36.6 | Very low | 36.6 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 171.4 | 107.1 | 142.8 | -77.9 | -54.1 | 0 | 0 | 0 | 106.5 | ||||
| 389 | S | 33.5 | Very low | 36.9 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | 56.7 | 129.2 | 68.8 | 77.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 390 | N | 31.6 | Very low | 36.7 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -142.3 | -171.6 | -6.1 | -79.7 | -26.5 | 0 | 0 | 0 | 106.4 | ||||
| 391 | T | 33.6 | Very low | 36.7 | Very low | 129 Ų | 129 | 153 Ų | 153 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | cis | -168.7 | 153.9 | 34.1 | -53.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 392 | T | 33 | Very low | 36.6 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -129.1 | 153.9 | 168.1 | 43.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 393 | P | 40 | Very low | 36.9 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -119.5 | 143.3 | 139.6 | -0.9 | 23 | 0 | 0 | 0 | 109.9 | ||||
| 394 | S | 34.9 | Very low | 37.2 | Very low | 105 Ų | 105 | 149.9 Ų | 149.9 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | 61.7 | 96 | 60.4 | -166.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 395 | E | 34.8 | Very low | 37.1 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | 87.3 | 130.2 | 61.5 | -174.4 | 161.1 | -149.1 | 0 | 0 | 112.6 | |||||
| 396 | Y | 38.4 | Very low | 37.3 | Very low | 211 Ų | 211 | 150.7 Ų | 150.7 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -160.2 | 115.6 | 171.9 | -120.3 | -75.2 | 0 | 0 | 0 | 112.1 | ||||
| 397 | D | 41.1 | Very low | 37.1 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 49 | 140.3 | 153.1 | -60 | -11.6 | 0 | 0 | 0 | 124.2 | ||||
| 398 | K | 40.4 | Very low | 37.1 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -152.7 | 125.1 | 178.1 | -171.9 | -167.7 | -174.1 | -166.9 | 0 | 108 | ||||
| 399 | P | 44.2 | Very low | 37 | Very low | 126 Ų | 126 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -85.6 | 141.3 | 174.1 | 32.4 | -32.2 | 0 | 0 | 0 | 111.5 | ||||
| 400 | E | 33.7 | Very low | 37.2 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -90.3 | 159.1 | 168.9 | -65.2 | -166.1 | 118.1 | 0 | 0 | 112.1 | ||||
| 401 | Y | 36.7 | Very low | 37.3 | Very low | 244 Ų | 244 | 154.5 Ų | 154.5 | 96% | 0.957 | 81% | 0.811 | S | S | * | * | trans | -141.3 | 142.9 | 139.7 | -111.8 | -86.5 | 0 | 0 | 0 | 107.9 | ||||
| 402 | S | 34.4 | Very low | 37.4 | Very low | 96 Ų | 96 | 155.1 Ų | 155.1 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -128.5 | -168 | -166.4 | -166.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 403 | I | 39 | Very low | 37.6 | Very low | 172 Ų | 172 | 156.7 Ų | 156.7 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | 75.8 | 134.1 | -166.8 | -47.6 | 159.6 | 0 | 0 | 0 | 110.6 | ||||
| 404 | G | 38.6 | Very low | 37.3 | Very low | 64 Ų | 64 | 154.9 Ų | 154.9 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | cis | 141.9 | 141 | 7.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 405 | N | 39.3 | Very low | 37.4 | Very low | 158 Ų | 158 | 156.6 Ų | 156.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | cis | -151.2 | -171.7 | 16 | -128.9 | -23.1 | 0 | 0 | 0 | 112.3 | ||||
| 406 | K | 40.3 | Very low | 37.4 | Very low | 190 Ų | 190 | 156.5 Ų | 156.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -71.3 | 172 | -178.3 | -61.9 | 154.2 | -172.2 | 171.7 | 0 | 111.8 | ||||
| 407 | R | 38.2 | Very low | 37.4 | Very low | 243 Ų | 243 | 150.8 Ų | 150.8 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | cis | -164.5 | -175.4 | 43.3 | -158 | 171.3 | -177.6 | 162.7 | -0.7 | 112.7 | ||||
| 408 | T | 37.5 | Very low | 37.1 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -123.1 | 153.1 | -166.6 | 50.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 409 | G | 34.4 | Very low | 36.9 | Very low | 71 Ų | 71 | 148.5 Ų | 148.5 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 91.7 | 161.1 | 170 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 410 | I | 38 | Very low | 36.6 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | cis | -145 | -167.2 | 3.5 | -5 | 173.4 | 0 | 0 | 0 | 112.3 | ||||
| 411 | F | 32.5 | Very low | 36.6 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -81 | 174.9 | -166.9 | -128.3 | -103.2 | 0 | 0 | 0 | 115.5 | ||||
| 412 | L | 36.4 | Very low | 36.5 | Very low | 142 Ų | 142 | 140 Ų | 140 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 90.6 | 115.6 | 160.5 | -65.3 | 173.4 | 0 | 0 | 0 | 121.3 | ||||
| 413 | H | 36.2 | Very low | 36.4 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | 55.9 | 122.7 | 126.2 | -95.4 | -83.8 | 0 | 0 | 0 | 124.5 | |||||
| 414 | S | 34.7 | Very low | 36 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 53% | 0.531 | 77% | 0.77 | S | S | . | * | 73.3 | 129 | 123.5 | -88.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 415 | D | 37.4 | Very low | 35.8 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | 63.9 | 154.7 | 137 | -39.3 | -11.8 | 0 | 0 | 0 | 118.4 | ||||
| 416 | E | 33.9 | Very low | 35.3 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | cis | -164.6 | -178.5 | -35.1 | -175.8 | 157 | 171 | 0 | 0 | 105.9 | ||||
| 417 | S | 37.8 | Very low | 35 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | 69.3 | 108 | 169.6 | 64.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 418 | D | 36.6 | Very low | 34.6 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | 60.3 | 118.1 | 120.7 | -47.4 | -30.7 | 0 | 0 | 0 | 121.5 | |||||
| 419 | N | 36 | Very low | 34.7 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | -163 | 130.7 | 101 | -98.2 | -67.2 | 0 | 0 | 0 | 112.4 | |||||
| 420 | E | 36.4 | Very low | 34.6 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | 30.5 | 151.1 | 124.8 | -65.2 | -95.6 | 80.5 | 0 | 0 | 120.8 | |||||
| 421 | S | 34.1 | Very low | 34.6 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | cis | 169.7 | 122.3 | -22.7 | -102.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 422 | S | 35.2 | Very low | 34.7 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 167.5 | 118.9 | 157.5 | -82.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 423 | Q | 32 | Very low | 34.8 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | 89.1 | 147.3 | 54.3 | -76.1 | -154.1 | 67.9 | 0 | 0 | 114.9 | |||||
| 424 | L | 31.4 | Very low | 34.8 | Very low | 159 Ų | 159 | 135 Ų | 135 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | 73.1 | 148.8 | -177.4 | -46.7 | -178.9 | 0 | 0 | 0 | 114.9 | ||||
| 425 | L | 33.1 | Very low | 35 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | cis | -142.2 | 146.8 | 6.2 | -168.5 | 65.1 | 0 | 0 | 0 | 112.1 | ||||
| 426 | N | 29.2 | Very low | 35.2 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -83 | 143.3 | 169.2 | -74.1 | -42.4 | 0 | 0 | 0 | 111.4 | ||||
| 427 | G | 33.9 | Very low | 35.7 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -156.4 | 84.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 428 | A | 30.8 | Very low | 36.2 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -91 | 132.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 429 | M | 38.6 | Very low | 36.4 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | trans | -124.2 | 145.2 | 166.6 | -72.4 | -66.4 | -84.8 | 0 | 0 | 110 | ||||
| 430 | K | 33 | Very low | 36.7 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | trans | -136.6 | 151.4 | -167.2 | 172.1 | -172 | 174.2 | -168.7 | 0 | 108.3 | ||||
| 431 | L | 38.1 | Very low | 36.7 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 160.3 | 118 | 158 | -86.1 | 156.9 | 0 | 0 | 0 | 105.8 | ||||
| 432 | E | 34.3 | Very low | 37 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | 73.6 | 138.5 | 84.7 | -73.9 | -153.1 | 69.9 | 0 | 0 | 114.6 | |||||
| 433 | S | 37.4 | Very low | 37 | Very low | 84 Ų | 84 | 145.5 Ų | 145.5 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | cis | -162.5 | 171.5 | -2.5 | -106.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 434 | S | 38.1 | Very low | 37.1 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 54.7 | 155.7 | 162.3 | 40.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 435 | E | 37.2 | Very low | 37.2 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | -157.5 | 139.5 | -17 | -105.4 | 175.3 | 107.6 | 0 | 0 | 107.6 | ||||
| 436 | I | 42.9 | Very low | 37.3 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | 60.8 | 128.2 | 83.5 | -61.8 | -179.1 | 0 | 0 | 0 | 112.8 | |||||
| 437 | P | 43.6 | Very low | 37.7 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | cis | -143.8 | 179.6 | 46 | 33 | -8.9 | 0 | 0 | 0 | 119.7 | ||||
| 438 | P | 47.5 | Very low | 37.6 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -134.3 | -167.9 | -174.7 | 39.7 | -20.1 | 0 | 0 | 0 | 117 | ||||
| 439 | K | 41.3 | Very low | 37.8 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 81% | 0.809 | 74% | 0.736 | S | S | * | * | trans | 91.7 | 154.1 | 170.2 | -51.7 | 149.4 | -175.5 | 170.4 | 0 | 114.6 | ||||
| 440 | K | 41.9 | Very low | 37.7 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | cis | -139 | -178.9 | 3.3 | -82.5 | 107.4 | 167.3 | -165.4 | 0 | 109 | ||||
| 441 | K | 37.4 | Very low | 38 | Very low | 207 Ų | 207 | 136.4 Ų | 136.4 | 90% | 0.9 | 72% | 0.72 | S | S | * | * | cis | 156.2 | 121 | -32.2 | -142.7 | -172.6 | -170.9 | -168.3 | 0 | 110.9 | ||||
| 442 | A | 39.7 | Very low | 38.3 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | trans | -177.5 | 164.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 443 | K | 36.3 | Very low | 38.8 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 61% | 0.613 | 72% | 0.718 | S | S | * | * | cis | 61 | 117.9 | -13.2 | -158.1 | -164 | 179 | -73.5 | 0 | 122.6 | E445 | K443-E445 WeakPolarHBondContact CE-OE1 3.1Å; K443-E445 IonicContact NZ-OE1 2.78Å; K443-E445 PolarHBondContact NZ-OE1 3.42Å; K443-E445 IonicContact NZ-OE2 2.61Å; K443-E445 PolarHBondContact NZ-OE2 3.07Å | ||
| 444 | T | 34.3 | Very low | 39.2 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | 155.4 | 108.3 | 123.5 | -65.7 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 445 | E | 32.6 | Very low | 39.6 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 61% | 0.607 | 73% | 0.73 | S | S | * | * | 106.2 | 161 | 51.7 | -98.7 | 178.2 | -158.9 | 0 | 0 | 111.4 | K443 | K443-E445 WeakPolarHBondContact CE-OE1 3.1Å; K443-E445 IonicContact NZ-OE1 2.78Å; K443-E445 PolarHBondContact NZ-OE1 3.42Å; K443-E445 IonicContact NZ-OE2 2.61Å; K443-E445 PolarHBondContact NZ-OE2 3.07Å | |||
| 446 | L | 36 | Very low | 39.8 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | trans | 75.3 | 142.7 | 173.3 | -45.8 | -173.4 | 0 | 0 | 0 | 114.6 | ||||
| 447 | I | 36.6 | Very low | 39.7 | Very low | 136 Ų | 136 | 141 Ų | 141 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | cis | -158.7 | 154.6 | -15.6 | -130.5 | 168.4 | 0 | 0 | 0 | 110.5 | ||||
| 448 | N | 32.5 | Very low | 39.6 | Very low | 115 Ų | 115 | 142 Ų | 142 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | trans | 10.2 | 151.6 | 134.1 | -68.2 | 50.7 | 0 | 0 | 0 | 119.7 | ||||
| 449 | D | 34.9 | Very low | 39.2 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | cis | -166.3 | 178.2 | 1.4 | -93.2 | -22.5 | 0 | 0 | 0 | 109 | ||||
| 450 | N | 37.2 | Very low | 38.9 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | 70.9 | 157.8 | 158 | -50.2 | -28.2 | 0 | 0 | 0 | 118.2 | ||||
| 451 | D | 38.1 | Very low | 38.6 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | cis | -165.7 | -177.8 | -30.2 | -97.1 | -26.3 | 0 | 0 | 0 | 108.9 | ||||
| 452 | D | 45 | Very low | 38.5 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | 66.6 | 96.8 | 155.7 | -58.5 | -19.9 | 0 | 0 | 0 | 120.8 | ||||
| 453 | D | 44.8 | Very low | 38.3 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | 59.6 | 142.9 | 112.9 | -63.4 | -5.8 | 0 | 0 | 0 | 124.3 | |||||
| 454 | D | 45.8 | Very low | 38.5 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | trans | 40 | 130.8 | 146.8 | -59 | -20.1 | 0 | 0 | 0 | 120.1 | ||||
| 455 | D | 45.3 | Very low | 38.6 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | -165.7 | 162.2 | 60.6 | -141.3 | -15.8 | 0 | 0 | 0 | 116 | |||||
| 456 | D | 42.8 | Very low | 38.9 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 57% | 0.572 | 73% | 0.731 | S | S | * | * | trans | -35.3 | 130.2 | 168 | -166 | 38.9 | 0 | 0 | 0 | 118 | ||||
| 457 | R | 40.2 | Very low | 39 | Very low | 224 Ų | 224 | 140 Ų | 140 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | 177.1 | 159.6 | 114.3 | -94.9 | 154.7 | -164 | -137.4 | 1.6 | 119.7 | |||||
| 458 | M | 41.6 | Very low | 39.1 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -72.1 | 159.2 | 177.6 | -40.7 | 174.6 | 70.3 | 0 | 0 | 113.6 | ||||
| 459 | C | 38.8 | Very low | 39.5 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | -168.2 | -176.3 | 96.9 | -142.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 460 | H | 35.4 | Very low | 39.7 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | trans | -102.8 | 165.1 | -162.8 | -70.7 | -97.5 | 0 | 0 | 0 | 115.4 | ||||
| 461 | S | 36.3 | Very low | 39.9 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -60.5 | 147.5 | 161.8 | -43.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 462 | E | 33.6 | Very low | 39.9 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | -176.9 | 177.1 | 104 | -98.5 | -158.2 | 152.1 | 0 | 0 | 115.7 | |||||
| 463 | M | 35.9 | Very low | 39.5 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | trans | -29.9 | 125.7 | -177.5 | -81.4 | 175 | -82.2 | 0 | 0 | 122.9 | ||||
| 464 | K | 40.3 | Very low | 39.4 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | 63.2 | 101.6 | 99.4 | -164.9 | -177.9 | -180 | 178.1 | 0 | 120.4 | |||||
| 465 | I | 36.8 | Very low | 39.3 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | trans | 66.3 | 112.6 | 146 | -48 | 165.3 | 0 | 0 | 0 | 118 | ||||
| 466 | M | 38.9 | Very low | 39 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | -173.1 | 135.6 | 107.7 | -94.7 | -169.3 | 78.7 | 0 | 0 | 113.4 | |||||
| 467 | S | 38 | Very low | 38.9 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | 46.2 | 122.9 | 147 | -56.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 468 | S | 39.7 | Very low | 38.8 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | 105.9 | 131.6 | 128.5 | 78 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 469 | S | 39.9 | Very low | 38.7 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 71.5 | 111.4 | 148.6 | -60.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 470 | K | 39.2 | Very low | 38.6 | Very low | 203 Ų | 203 | 133.3 Ų | 133.3 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | trans | 42 | 140.2 | 132.3 | -63.3 | 179.2 | 179.5 | 179 | 0 | 120.4 | ||||
| 471 | S | 40.9 | Very low | 39 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | cis | -173.4 | 164.4 | -6.1 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 472 | T | 37.9 | Very low | 39.3 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 83% | 0.828 | 72% | 0.722 | S | S | * | * | trans | 53.2 | 131.5 | 152.9 | 49.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 473 | G | 38 | Very low | 39.7 | Very low | 62 Ų | 62 | 131.4 Ų | 131.4 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | cis | 159.8 | 178 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 474 | H | 42.5 | Very low | 40 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | trans | 71.6 | 121.4 | 166.2 | -65.2 | -73.3 | 0 | 0 | 0 | 118.1 | ||||
| 475 | H | 43.9 | Very low | 40.2 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | 78.5 | 147.2 | 83.7 | -89.1 | -0.6 | 0 | 0 | 0 | 114 | |||||
| 476 | S | 38.1 | Very low | 40.3 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 54% | 0.538 | 71% | 0.713 | S | S | . | * | cis | -150.2 | 159.1 | 21.1 | -121.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 477 | Q | 40.6 | Very low | 40.4 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | 55 | 154.6 | 100.4 | -66.6 | 178.6 | -47.4 | 0 | 0 | 116.4 | |||||
| 478 | T | 39.2 | Very low | 40.5 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | cis | -171.7 | 162.9 | 16.3 | 8.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 479 | N | 39.5 | Very low | 40.5 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | cis | -171.9 | -171.5 | -14.2 | -135.3 | 62.5 | 0 | 0 | 0 | 111 | ||||
| 480 | N | 37.1 | Very low | 40.6 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | trans | 78.2 | 154.3 | 149.9 | -79.1 | 24.9 | 0 | 0 | 0 | 122.9 | ||||
| 481 | E | 42.7 | Very low | 40.5 | Very low | 130 Ų | 130 | 125 Ų | 125 | 61% | 0.607 | 70% | 0.704 | S | S | * | * | cis | -174.9 | 155.2 | -24.3 | 174.6 | 158.5 | -165.6 | 0 | 0 | 113.1 | ||||
| 482 | Q | 43.4 | Very low | 40.4 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | trans | 72.2 | 153.8 | 156 | -92.3 | 169.5 | 46.7 | 0 | 0 | 120.9 | ||||
| 483 | D | 41.2 | Very low | 40.5 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | cis | -162.8 | -177.6 | -4.4 | -158.5 | 1.4 | 0 | 0 | 0 | 112.6 | K485 | D483-K485 IonicContact OD1-NZ 2.71Å; D483-K485 PolarHBondContact OD1-NZ 3.26Å; D483-K485 IonicContact OD2-NZ 3.01Å; D483-K485 PolarHBondContact OD2-NZ 3.32Å | ||
| 484 | V | 42.8 | Very low | 40.7 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | trans | 82.7 | 151.3 | 160.6 | 162.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 485 | K | 43.4 | Very low | 40.4 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 55% | 0.548 | 70% | 0.703 | S | S | . | * | -173.8 | 139.5 | -58.2 | -99.8 | 166.3 | -156.8 | 73.8 | 0 | 112.2 | D483 | D483-K485 IonicContact OD1-NZ 2.71Å; D483-K485 PolarHBondContact OD1-NZ 3.26Å; D483-K485 IonicContact OD2-NZ 3.01Å; D483-K485 PolarHBondContact OD2-NZ 3.32Å | |||
| 486 | Q | 40 | Very low | 40.2 | Very low | 181 Ų | 181 | 125.2 Ų | 125.2 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | trans | 67.8 | 155.7 | 151.8 | -69.4 | 168.2 | -42 | 0 | 0 | 122.8 | ||||
| 487 | S | 41 | Very low | 40.2 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | cis | -179.2 | 160.7 | -25 | 59.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 488 | V | 39.8 | Very low | 40 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | 75.7 | 148.2 | 150.2 | 161.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 489 | A | 39.9 | Very low | 40 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | cis | -173.4 | -165.8 | -31.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 490 | V | 41.4 | Very low | 39.8 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 84% | 0.836 | 72% | 0.715 | S | S | * | * | trans | 93.9 | 145.2 | 169.8 | -170.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 491 | T | 37.9 | Very low | 39.7 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | trans | -146.7 | -146.1 | -164.4 | 39.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 492 | E | 37.9 | Very low | 39.3 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 68.8 | 157.5 | 173.6 | -69.5 | 56.4 | -91.4 | 0 | 0 | 119.4 | ||||
| 493 | A | 41.4 | Very low | 38.9 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | cis | -171.8 | 150.3 | -33.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 494 | T | 40.8 | Very low | 38.6 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | trans | 63.9 | 160.3 | 151.5 | 48.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 495 | D | 36.3 | Very low | 38.2 | Very low | 132 Ų | 132 | 127 Ų | 127 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | cis | -159.1 | 168.8 | 10.8 | -145.1 | -9.3 | 0 | 0 | 0 | 116.2 | ||||
| 496 | L | 40 | Very low | 37.9 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | trans | 66.9 | 171.3 | 163.5 | -54.9 | -173.9 | 0 | 0 | 0 | 117.9 | ||||
| 497 | L | 38.7 | Very low | 37.6 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | cis | -171.9 | -175.3 | -28.5 | -92.3 | 175.4 | 0 | 0 | 0 | 106.4 | ||||
| 498 | A | 36.8 | Very low | 37.8 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 65% | 0.645 | 74% | 0.743 | S | S | * | * | cis | -179.2 | 169 | -38.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 499 | V | 37.9 | Very low | 37.6 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | cis | -169.1 | 140.2 | -19.3 | 135.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 500 | E | 35.7 | Very low | 37.5 | Very low | 189 Ų | 189 | 127.5 Ų | 127.5 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | 53.9 | 165.9 | 156.7 | -68.2 | 163.5 | -158.2 | 0 | 0 | 122.3 | ||||
| 501 | G | 35 | Very low | 37.3 | Very low | 65 Ų | 65 | 128.8 Ų | 128.8 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | cis | 165.6 | 131.6 | -16 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 502 | F | 34.9 | Very low | 37.2 | Very low | 195 Ų | 195 | 130 Ų | 130 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | trans | 67.4 | 137.3 | 142.7 | -80.4 | -69 | 0 | 0 | 0 | 127.6 | ||||
| 503 | N | 35 | Very low | 37.2 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | trans | 98.8 | 115.5 | 130.2 | -76.1 | -25.2 | 0 | 0 | 0 | 127.3 | ||||
| 504 | N | 33.5 | Very low | 36.9 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | 84.6 | 117.9 | 122.4 | -67.8 | -26.8 | 0 | 0 | 0 | 127.9 | |||||
| 505 | S | 35.7 | Very low | 36.9 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 75.4 | 157.4 | 135.5 | 78.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 506 | K | 37.2 | Very low | 37.1 | Very low | 202 Ų | 202 | 129.3 Ų | 129.3 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | cis | -166.2 | 164.4 | 11.4 | -150.9 | 179.3 | 176.3 | -171.7 | 0 | 113 | ||||
| 507 | S | 32.7 | Very low | 37 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -103.7 | -161 | 179.9 | 63.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 508 | P | 44.9 | Very low | 36.9 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | cis | -144.5 | -163.2 | -9.2 | 30.7 | -3.9 | 0 | 0 | 0 | 117.4 | ||||
| 509 | V | 36.8 | Very low | 37.2 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | trans | 127.3 | 146.8 | 138.6 | -176.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 510 | S | 37.6 | Very low | 37.3 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | 76.5 | 149.4 | 161.6 | 28.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 511 | E | 36.9 | Very low | 37.3 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 77% | 0.771 | 75% | 0.747 | S | S | * | * | cis | -163.6 | 157.7 | -10.2 | -122.7 | -171.6 | 150.3 | 0 | 0 | 115.2 | ||||
| 512 | L | 35.9 | Very low | 37.4 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 69.3 | 157.8 | 142.9 | -79.8 | 169.4 | 0 | 0 | 0 | 126.9 | ||||
| 513 | L | 38.4 | Very low | 37.4 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | 74.2 | 148.3 | 167.9 | -56.4 | -179 | 0 | 0 | 0 | 120.4 | ||||
| 514 | S | 34.2 | Very low | 37.4 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -178.8 | 171.5 | -45.7 | -102.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 515 | D | 41.1 | Very low | 37.2 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 82.8 | 111.2 | 168.6 | -59 | -12.3 | 0 | 0 | 0 | 117.3 | ||||
| 516 | A | 39.9 | Very low | 37 | Very low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | 91 | 139.5 | 71.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 517 | V | 38.2 | Very low | 36.9 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | cis | -145 | 135.1 | 28 | 166.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 518 | T | 37.7 | Very low | 36.9 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | cis | 91.2 | 101.7 | 43.7 | -56.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 519 | K | 42.9 | Very low | 36.6 | Very low | 192 Ų | 192 | 126.8 Ų | 126.8 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | 173.9 | 121.3 | 144 | -93.7 | 151.2 | -171.8 | 176.8 | 0 | 108.7 | ||||
| 520 | H | 38.8 | Very low | 36.5 | Very low | 179 Ų | 179 | 126.2 Ų | 126.2 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | 58.3 | 123.7 | 64.2 | -64 | -74.6 | 0 | 0 | 0 | 113 | |||||
| 521 | G | 36.6 | Very low | 36.7 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | cis | -150.4 | -139 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 522 | V | 36.9 | Very low | 36.5 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 87% | 0.873 | 72% | 0.723 | S | S | * | * | cis | -147.3 | -177.4 | 1.5 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 523 | I | 33.9 | Very low | 36.4 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | trans | -99 | 142.1 | -173 | -62.2 | 154.7 | 0 | 0 | 0 | 112.9 | T525 | I523-T525 HydrophobicContact CG2-CG2 3.78Š| ||
| 524 | T | 34.9 | Very low | 36.3 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | 177.8 | 113.4 | 128.6 | 38.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 525 | T | 30.9 | Very low | 36.4 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | 84.4 | 147.4 | 55.8 | 62.1 | 0 | 0 | 0 | 0 | 115.9 | I523 | I523-T525 HydrophobicContact CG2-CG2 3.78Š| |||
| 526 | T | 31.5 | Very low | 36.2 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | 73.7 | 142.2 | 172.4 | 69.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 527 | T | 34.1 | Very low | 36.1 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | cis | -150 | 154.1 | -6.5 | -112.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 528 | S | 33.2 | Very low | 35.9 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 43% | 0.434 | 73% | 0.729 | S | S | . | * | trans | -30.9 | 137.6 | 169 | 178.4 | 0 | 0 | 0 | 0 | 118.4 | N530 | S528-N530 PolarHBondContact OG-ND2 2.93Š| ||
| 529 | N | 37.6 | Very low | 35.7 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | -163.1 | 121.9 | 101.4 | -86.4 | -25.2 | 0 | 0 | 0 | 111.5 | |||||
| 530 | N | 35.1 | Very low | 35.5 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | 57.2 | 105.2 | 59.2 | -76.4 | -46.7 | 0 | 0 | 0 | 112.3 | S528 | S528-N530 PolarHBondContact OG-ND2 2.93Š| |||
| 531 | N | 41.3 | Very low | 35.4 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | -165.8 | 133.1 | 62.5 | -92.3 | -64.2 | 0 | 0 | 0 | 111.3 | |||||
| 532 | N | 33.9 | Very low | 35.5 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 58% | 0.583 | 73% | 0.731 | S | S | * | * | 69.3 | 114.7 | 84.6 | -78.6 | -52.3 | 0 | 0 | 0 | 115.3 | |||||
| 533 | S | 33.5 | Very low | 35.5 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | 76.1 | 121.4 | 63.6 | -62.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 534 | K | 35.7 | Very low | 35.8 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 83% | 0.83 | 72% | 0.724 | S | S | * | * | trans | 160.2 | 145.6 | 159.1 | -87.6 | 143.5 | -163.8 | 169 | 0 | 107.4 | ||||
| 535 | R | 37.3 | Very low | 36.1 | Very low | 212 Ų | 212 | 145.4 Ų | 145.4 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | cis | -151.2 | 140.5 | -2 | -100.8 | 156.8 | 169.2 | 172.3 | -6.6 | 106.5 | ||||
| 536 | K | 36.8 | Very low | 36.6 | Very low | 204 Ų | 204 | 151.4 Ų | 151.4 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | 60.6 | 111.8 | 73.3 | -73.9 | -163.4 | 174.5 | -168.3 | 0 | 116.8 | |||||
| 537 | K | 37.1 | Very low | 37.1 | Very low | 169 Ų | 169 | 154.6 Ų | 154.6 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | -150.5 | 175.9 | 123 | -150.9 | -148.5 | 176.8 | -166.5 | 0 | 107.5 | E539 | K537-E539 WeakPolarHBondContact CE-OE1 3.42Å; K537-E539 WeakPolarHBondContact CE-OE2 3.46Å; K537-E539 IonicContact NZ-OE1 2.84Å; K537-E539 PolarHBondContact NZ-OE1 3.41Å; K537-E539 IonicContact NZ-OE2 2.65Å; K537-E539 PolarHBondContact NZ-OE2 3.28Å | |||
| 538 | S | 33.4 | Very low | 37.4 | Very low | 96 Ų | 96 | 158.5 Ų | 158.5 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | -168 | 107.7 | -177 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 539 | E | 35.2 | Very low | 37.4 | Very low | 143 Ų | 143 | 164.9 Ų | 164.9 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | -133.2 | 129.7 | 159.7 | -77.2 | 103 | -161.7 | 0 | 0 | 108.5 | K537 | K537-E539 WeakPolarHBondContact CE-OE1 3.42Å; K537-E539 WeakPolarHBondContact CE-OE2 3.46Å; K537-E539 IonicContact NZ-OE1 2.84Å; K537-E539 PolarHBondContact NZ-OE1 3.41Å; K537-E539 IonicContact NZ-OE2 2.65Å; K537-E539 PolarHBondContact NZ-OE2 3.28Å | ||
| 540 | Q | 38.2 | Very low | 37.5 | Very low | 162 Ų | 162 | 162.7 Ų | 162.7 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | cis | 85.5 | 111.3 | 38.9 | -70.3 | -155.4 | 14.5 | 0 | 0 | 115.2 | ||||
| 541 | H | 36.5 | Very low | 37.4 | Very low | 166 Ų | 166 | 164.4 Ų | 164.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | -175.1 | 113.2 | 122.4 | -107.6 | -122.8 | 0 | 0 | 0 | 107 | |||||
| 542 | R | 38.2 | Very low | 36.9 | Very low | 222 Ų | 222 | 163.1 Ų | 163.1 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | 62.4 | 134.3 | 89.9 | -95.6 | -175.2 | 171.4 | -169.4 | -1.2 | 114 | |||||
| 543 | S | 38 | Very low | 36.9 | Very low | 83 Ų | 83 | 165.9 Ų | 165.9 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | cis | -164.2 | 171.1 | 11.6 | 71.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 544 | R | 40.3 | Very low | 36.8 | Very low | 226 Ų | 226 | 166.4 Ų | 166.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 67.9 | 137 | 157.2 | -69.2 | 166.9 | 171 | 161.9 | -4.5 | 116.2 | ||||
| 545 | L | 40.7 | Very low | 36.8 | Very low | 153 Ų | 153 | 164.2 Ų | 164.2 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | cis | -150.3 | -178.2 | -4.9 | -96.5 | 165.4 | 0 | 0 | 0 | 107.1 | ||||
| 546 | R | 41.5 | Very low | 36.8 | Very low | 228 Ų | 228 | 160.6 Ų | 160.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | cis | -129.1 | -116.7 | 5.5 | -154 | 167.4 | -172.2 | 166 | 1 | 109.6 | ||||
| 547 | K | 40.9 | Very low | 36.8 | Very low | 199 Ų | 199 | 155 Ų | 155 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | trans | -158.6 | 144.6 | 173.6 | -63.3 | -177.2 | -177.3 | 176.8 | 0 | 112.5 | ||||
| 548 | K | 40.6 | Very low | 37 | Very low | 213 Ų | 213 | 154.6 Ų | 154.6 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | 179.4 | 157.2 | 125.2 | -99.4 | 179.8 | 178.8 | -173.4 | 0 | 112.3 | |||||
| 549 | K | 34.1 | Very low | 37.2 | Very low | 195 Ų | 195 | 157.8 Ų | 157.8 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -175 | 179.6 | -170.4 | -147.6 | -164 | -178.8 | -173.9 | 0 | 107.6 | ||||
| 550 | P | 39 | Very low | 37.4 | Very low | 102 Ų | 102 | 159 Ų | 159 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | -95.3 | -160.5 | -67.1 | 37.5 | -21.7 | 0 | 0 | 0 | 111.2 | |||||
| 551 | I | 34.4 | Very low | 37.4 | Very low | 146 Ų | 146 | 159.6 Ų | 159.6 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | 169.2 | 158.9 | 130.1 | -88.8 | 160.3 | 0 | 0 | 0 | 111.3 | I553 | I551-I553 HydrophobicContact CG2-CD1 4.31Å; I551-I553 HydrophobicContact CG2-CG1 3.92Å | ||
| 552 | S | 30.1 | Very low | 37.7 | Very low | 110 Ų | 110 | 158 Ų | 158 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -136.1 | 131.2 | 173.5 | 52.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 553 | I | 34.2 | Very low | 37.6 | Very low | 168 Ų | 168 | 154.6 Ų | 154.6 | 86% | 0.862 | 78% | 0.778 | S | S | * | * | trans | -163.5 | 171.6 | 172.4 | 27.4 | 172.4 | 0 | 0 | 0 | 111 | I551 | I551-I553 HydrophobicContact CG2-CD1 4.31Å; I551-I553 HydrophobicContact CG2-CG1 3.92Å | ||
| 554 | S | 30.7 | Very low | 37.7 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -139 | 178.3 | -179.3 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 555 | L | 36.1 | Very low | 37.5 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 86.5 | 109.6 | 169.1 | -52.9 | 174.4 | 0 | 0 | 0 | 118.9 | ||||
| 556 | D | 36.1 | Very low | 37.5 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 59.9 | 152.2 | 110 | -53.5 | -13.5 | 0 | 0 | 0 | 125.7 | |||||
| 557 | S | 38.4 | Very low | 37.4 | Very low | 87 Ų | 87 | 148.8 Ų | 148.8 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | trans | 68.5 | 117.3 | 152.3 | -64.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 558 | E | 40 | Very low | 37.2 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | 92.6 | 165 | 92.1 | -77 | 160.2 | -100.3 | 0 | 0 | 110.3 | |||||
| 559 | E | 37.4 | Very low | 37.2 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | cis | -77.2 | -146 | 13.9 | -42.5 | -53.3 | 160.5 | 0 | 0 | 113.9 | ||||
| 560 | D | 39.5 | Very low | 37.2 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 90% | 0.898 | 74% | 0.737 | S | S | * | * | cis | -130.6 | 158.5 | 29.5 | -73.3 | -54.3 | 0 | 0 | 0 | 114.8 | ||||
| 561 | E | 38 | Very low | 37.1 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -103.9 | 149 | 179.8 | -164.8 | -179.6 | -138.2 | 0 | 0 | 110.1 | ||||
| 562 | I | 43.9 | Very low | 37.3 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | 173.7 | 130 | 96.3 | -82.5 | 156.3 | 0 | 0 | 0 | 110.2 | |||||
| 563 | N | 35 | Very low | 37.5 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | 55.3 | 164 | 158.9 | -78 | -18.2 | 0 | 0 | 0 | 120.2 | ||||
| 564 | S | 40 | Very low | 37.5 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | cis | -170.6 | 136.7 | -33.9 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 565 | E | 37.3 | Very low | 37.5 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | trans | 52.4 | 131.5 | 148.9 | -61.9 | -156.1 | 130.8 | 0 | 0 | 122.8 | ||||
| 566 | K | 40.1 | Very low | 37.3 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 70% | 0.704 | 73% | 0.726 | S | S | * | * | trans | 71.1 | 145 | 138.4 | -68.5 | 165.7 | -165 | 157.6 | 0 | 117.5 | ||||
| 567 | K | 39.6 | Very low | 37.2 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | cis | 178.1 | 152 | 2.2 | 145.7 | -180 | 170.2 | -169.2 | 0 | 110.5 | ||||
| 568 | V | 37.5 | Very low | 37.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | trans | 55.5 | 160.1 | 179.4 | -86.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 569 | I | 39.9 | Very low | 36.9 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | cis | -128.3 | 122.5 | 14.1 | -61.6 | 171.5 | 0 | 0 | 0 | 107.7 | ||||
| 570 | N | 33.6 | Very low | 37.1 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | 59.2 | 136.2 | 90.7 | -93.6 | 24.2 | 0 | 0 | 0 | 114.2 | |||||
| 571 | L | 38.5 | Very low | 36.9 | Very low | 136 Ų | 136 | 127 Ų | 127 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | cis | -152.5 | 172.1 | 18.5 | -102.3 | 148.6 | 0 | 0 | 0 | 114.4 | ||||
| 572 | H | 36.5 | Very low | 37.3 | Very low | 176 Ų | 176 | 123.6 Ų | 123.6 | 82% | 0.815 | 73% | 0.727 | S | S | * | * | trans | -46.1 | 173.2 | 172.1 | -57.5 | -174 | 0 | 0 | 0 | 117.4 | ||||
| 573 | G | 35.1 | Very low | 36.8 | Very low | 60 Ų | 60 | 124.7 Ų | 124.7 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | cis | -172.1 | 167.3 | 5.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 574 | S | 33.4 | Very low | 36.8 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | 56.1 | 136.4 | 99.4 | 66.8 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 575 | S | 32.8 | Very low | 36.6 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | cis | -174.7 | 171.5 | -11.2 | 53 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 576 | S | 31.8 | Very low | 36.6 | Very low | 93 Ų | 93 | 122 Ų | 122 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | trans | 57.2 | 116.8 | 143.6 | 59 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 577 | S | 32.2 | Very low | 36.5 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | 87.9 | 162.4 | 124.1 | 79.1 | 0 | 0 | 0 | 0 | 123 | |||||
| 578 | S | 37.4 | Very low | 36.5 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | 90 | 123 | 163.7 | 70.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 579 | S | 35 | Very low | 36.5 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -83.1 | -170.7 | 163.9 | -32.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 580 | P | 41.5 | Very low | 36.5 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | cis | -138.6 | -170.3 | 4.3 | 41 | -20.1 | 0 | 0 | 0 | 116.2 | ||||
| 581 | S | 36.4 | Very low | 36.8 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | -68.9 | -165.3 | 166.1 | -29 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 582 | P | 45.6 | Very low | 36.6 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | -136.8 | -149.8 | -7.5 | 31.6 | -6.2 | 0 | 0 | 0 | 113.2 | ||||
| 583 | L | 34.7 | Very low | 36.5 | Very low | 155 Ų | 155 | 117.9 Ų | 117.9 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | 84.3 | 144.5 | 163.7 | -52.7 | -177.7 | 0 | 0 | 0 | 117.1 | ||||
| 584 | S | 33.4 | Very low | 36.8 | Very low | 87 Ų | 87 | 119.2 Ų | 119.2 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | cis | -174.9 | 171.4 | -14.5 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 585 | L | 37.3 | Very low | 37 | Very low | 158 Ų | 158 | 123 Ų | 123 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | 73.4 | 150.7 | 161.6 | -59.1 | 171.2 | 0 | 0 | 0 | 116.8 | ||||
| 586 | S | 37.2 | Very low | 37.3 | Very low | 80 Ų | 80 | 122.5 Ų | 122.5 | 56% | 0.559 | 73% | 0.733 | S | S | * | * | cis | -177.7 | 156.9 | -17.5 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 587 | N | 37.3 | Very low | 37.6 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | 68.5 | 158.7 | 154.5 | -59.3 | 7.2 | 0 | 0 | 0 | 117.8 | ||||
| 588 | D | 38.8 | Very low | 37.9 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | cis | -168.8 | 154.7 | -24.5 | -103.2 | -40.7 | 0 | 0 | 0 | 109.4 | ||||
| 589 | S | 39.1 | Very low | 37.8 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | 65 | 160.8 | 149.2 | 81.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 590 | D | 39.8 | Very low | 38 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | cis | -163.9 | 172.8 | -19.6 | -128.2 | -45.8 | 0 | 0 | 0 | 113.2 | ||||
| 591 | V | 38.9 | Very low | 37.4 | Very low | 123 Ų | 123 | 126 Ų | 126 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | trans | 73.3 | 151.1 | 146.7 | 164 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 592 | E | 34.9 | Very low | 37.2 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | -69.7 | 168.4 | -175.9 | -36.7 | 170.9 | 99.8 | 0 | 0 | 116.3 | ||||
| 593 | N | 34.8 | Very low | 36.6 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | -165.2 | 147.7 | 104.7 | -144.8 | -29.2 | 0 | 0 | 0 | 114.6 | |||||
| 594 | S | 40.4 | Very low | 36.5 | Very low | 87 Ų | 87 | 128 Ų | 128 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | trans | -15.7 | 159.8 | 156.5 | -46 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 595 | K | 38.1 | Very low | 36.4 | Very low | 194 Ų | 194 | 131.2 Ų | 131.2 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | cis | -169.3 | 160.2 | 43.2 | -149.3 | 148.8 | -174.3 | 167.6 | 0 | 115.5 | ||||
| 596 | S | 38.8 | Very low | 36.2 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | -68.3 | -178.1 | 174.5 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 597 | K | 38.6 | Very low | 36 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | cis | -176.2 | 173.2 | 29.9 | -145.9 | 169.4 | 161.6 | -71.1 | 0 | 112.7 | ||||
| 598 | D | 37.8 | Very low | 36 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | trans | 61.5 | 128.4 | 153.6 | -62.6 | -33.6 | 0 | 0 | 0 | 120 | ||||
| 599 | Q | 35 | Very low | 36 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | 83.8 | 158.4 | 61 | -81.6 | -155.9 | 74.1 | 0 | 0 | 115.7 | |||||
| 600 | P | 39.9 | Very low | 35.9 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 63% | 0.63 | 71% | 0.709 | S | S | * | * | cis | -142.7 | -179.1 | -42.5 | 42 | -24.5 | 0 | 0 | 0 | 115.6 | ||||
| 601 | S | 29.3 | Very low | 36 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | 46.2 | 122.2 | 145.7 | -68.8 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 602 | S | 32.2 | Very low | 35.9 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | 71.6 | 167.3 | 135.9 | 88.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 603 | Q | 31.5 | Very low | 36.4 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | cis | -159 | 170.4 | -15.1 | -138.9 | -168.2 | 92.4 | 0 | 0 | 108.9 | ||||
| 604 | L | 34.2 | Very low | 36.5 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | 67 | 167.4 | 162.7 | -60.6 | 160.9 | 0 | 0 | 0 | 116.8 | ||||
| 605 | K | 30.8 | Very low | 36.2 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | cis | -175.4 | 140.5 | -37.1 | 171.7 | 169.4 | 169.6 | -178.2 | 0 | 109.7 | ||||
| 606 | E | 32 | Very low | 36 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 60% | 0.603 | 70% | 0.698 | S | S | * | * | trans | 64.4 | 162.5 | 167.7 | -74.8 | 176.7 | -160.5 | 0 | 0 | 115.9 | ||||
| 607 | K | 34.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | cis | -158.9 | 135.1 | -8.7 | -126.9 | 166.4 | -167.2 | 151.1 | 0 | 111.5 | ||||
| 608 | S | 36.1 | Very low | 35.5 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | 63.7 | 168.1 | 141.5 | 75.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 609 | R | 40.7 | Very low | 35.1 | Very low | 215 Ų | 215 | 131.2 Ų | 131.2 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | cis | -137.8 | 165.9 | 6.9 | -87.9 | -166.9 | 178.2 | 117.7 | 4.6 | 112.3 | ||||
| 610 | D | 35.4 | Very low | 35 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | trans | 14.6 | 142.8 | 147.4 | -53.9 | -72.9 | 0 | 0 | 0 | 120.5 | ||||
| 611 | S | 42.2 | Very low | 34.7 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | cis | -155.2 | 133.1 | 49.2 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 612 | S | 37.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | 66.9 | 150.2 | 75.1 | -87.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 613 | P | 45.2 | Very low | 34.5 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 59% | 0.591 | 74% | 0.739 | S | S | * | * | cis | -149.3 | 173 | -27.5 | 41 | -23.4 | 0 | 0 | 0 | 116.7 | ||||
| 614 | K | 36 | Very low | 34.6 | Very low | 196 Ų | 196 | 138 Ų | 138 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | trans | 68.6 | 156.1 | 145.1 | -76.7 | 157.3 | -165 | 172.3 | 0 | 118.6 | ||||
| 615 | S | 34.7 | Very low | 34.7 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | cis | -159.1 | 154.2 | -5.7 | 39.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 616 | S | 33 | Very low | 35.1 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | 59.1 | 138.8 | 143.2 | 65.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 617 | T | 31.1 | Very low | 35.5 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -155.7 | 142 | 35.5 | -64 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 618 | I | 36.1 | Very low | 35.8 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | 53.5 | 127.1 | 164.3 | -66.1 | 165.8 | 0 | 0 | 0 | 117.9 | ||||
| 619 | N | 29.4 | Very low | 35.7 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | trans | -146.7 | 146.4 | 176.6 | -157.4 | -40.7 | 0 | 0 | 0 | 110.2 | ||||
| 620 | K | 32.6 | Very low | 35.5 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | 63.6 | 89.6 | 172.3 | -69.5 | 138.4 | -172.1 | 179.4 | 0 | 118.3 | N622 | K620-N622 PolarHBondContact O-N 3.45Š| ||
| 621 | S | 34.1 | Very low | 35.6 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -71.8 | 95.8 | 152.9 | 39 | 0 | 0 | 0 | 0 | 111 | ||||
| 622 | N | 29.1 | Very low | 35.2 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -122.5 | 85.3 | 168.8 | -140.6 | -22.6 | 0 | 0 | 0 | 109.8 | K620 | K620-N622 PolarHBondContact O-N 3.45Š| ||
| 623 | R | 29.1 | Very low | 35.1 | Very low | 236 Ų | 236 | 152.9 Ų | 152.9 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | -152 | 147.6 | -178.7 | -88.9 | -170 | 167.2 | 179.9 | -2.2 | 109 | ||||
| 624 | S | 32.8 | Very low | 34.6 | Very low | 77 Ų | 77 | 157.3 Ų | 157.3 | 54% | 0.538 | 79% | 0.791 | S | S | . | * | cis | -167.6 | 160.2 | -17.5 | 65 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 625 | R | 36.8 | Very low | 34.4 | Very low | 232 Ų | 232 | 156.6 Ų | 156.6 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | 87.2 | 139.5 | 158.5 | -62.8 | 153.2 | 179.7 | 168.6 | -1.8 | 115.9 | ||||
| 626 | K | 38.6 | Very low | 34.1 | Very low | 187 Ų | 187 | 156.9 Ų | 156.9 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | cis | -137.5 | 117.7 | 11.9 | -140 | 179.6 | -177.7 | -179.2 | 0 | 113 | ||||
| 627 | S | 40.2 | Very low | 33.9 | Very low | 105 Ų | 105 | 158 Ų | 158 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 52.2 | 146.7 | 140.4 | 62 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 628 | R | 40.9 | Very low | 33.8 | Very low | 239 Ų | 239 | 158.7 Ų | 158.7 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | cis | -148.2 | 157.6 | 14.3 | -155.6 | 169.6 | -177.9 | 152.7 | -1.2 | 112.4 | ||||
| 629 | N | 34.4 | Very low | 33.6 | Very low | 127 Ų | 127 | 156.8 Ų | 156.8 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | trans | -51.8 | 137.4 | 170.5 | -85.6 | 3.4 | 0 | 0 | 0 | 112.3 | ||||
| 630 | Q | 36.5 | Very low | 33.7 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | 60 | 121.4 | 69.2 | -62.3 | -178.8 | 1.8 | 0 | 0 | 114 | |||||
| 631 | K | 36.9 | Very low | 33.5 | Very low | 208 Ų | 208 | 155.1 Ų | 155.1 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | -160.9 | 128.2 | 104.9 | -150.9 | 171.3 | -173.5 | 179.3 | 0 | 111.1 | |||||
| 632 | S | 33.7 | Very low | 33.4 | Very low | 104 Ų | 104 | 155.6 Ų | 155.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -119.6 | 147.9 | 163.7 | 55.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 633 | N | 36.7 | Very low | 33.6 | Very low | 164 Ų | 164 | 156.6 Ų | 156.6 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -159 | 138.3 | 147 | -111.8 | -3.2 | 0 | 0 | 0 | 110.2 | ||||
| 634 | Q | 34.9 | Very low | 33.8 | Very low | 183 Ų | 183 | 153.6 Ų | 153.6 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -75.7 | 158.4 | 167.5 | -60.7 | 164.3 | -12.3 | 0 | 0 | 109 | ||||
| 635 | K | 30.5 | Very low | 33.9 | Very low | 181 Ų | 181 | 160.2 Ų | 160.2 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | 156.9 | 141.7 | 104.2 | -172.5 | 164.7 | 178 | 178.3 | 0 | 113.1 | |||||
| 636 | T | 29.5 | Very low | 33.8 | Very low | 100 Ų | 100 | 153.9 Ų | 153.9 | 61% | 0.613 | 77% | 0.771 | S | S | * | * | trans | 62.7 | 118 | 159.6 | 45.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 637 | N | 27.9 | Very low | 33.7 | Very low | 128 Ų | 128 | 154.5 Ų | 154.5 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | 77.4 | 106.8 | 120.5 | -62 | 16.3 | 0 | 0 | 0 | 121.4 | |||||
| 638 | N | 29.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 158.3 Ų | 158.3 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | 81.1 | 146.3 | 114.7 | -65.5 | 11.4 | 0 | 0 | 0 | 121.3 | |||||
| 639 | N | 31.7 | Very low | 33.4 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | trans | 78.2 | 103.3 | 150.7 | -66.8 | -2.4 | 0 | 0 | 0 | 118.7 | ||||
| 640 | N | 31.6 | Very low | 33.2 | Very low | 137 Ų | 137 | 154.1 Ų | 154.1 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | 73.1 | 107.6 | 119.2 | -57.2 | -14.4 | 0 | 0 | 0 | 116.8 | |||||
| 641 | N | 28.7 | Very low | 33.3 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | 101.1 | 157.7 | 76.2 | -173 | 14.9 | 0 | 0 | 0 | 108.6 | |||||
| 642 | L | 32.9 | Very low | 33.2 | Very low | 139 Ų | 139 | 150.4 Ų | 150.4 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | 70.6 | 143 | 173.3 | -58.3 | 138.1 | 0 | 0 | 0 | 114.2 | ||||
| 643 | K | 32.6 | Very low | 33.8 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | cis | -163.4 | 140.7 | -11.6 | 175.8 | 169 | -175 | 168.4 | 0 | 111 | ||||
| 644 | M | 33.2 | Very low | 33.7 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | -17.4 | 132.7 | 160.3 | -62.6 | -105.9 | -78.2 | 0 | 0 | 117.4 | ||||
| 645 | K | 35.5 | Very low | 33.7 | Very low | 216 Ų | 216 | 146.3 Ų | 146.3 | 94% | 0.939 | 76% | 0.761 | S | S | * | * | -164.6 | 155.2 | 122.5 | -112.6 | 169.1 | -177.5 | 179.3 | 0 | 114.3 | |||||
| 646 | S | 33.3 | Very low | 34 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -111.1 | 163.6 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 647 | K | 36.9 | Very low | 34.5 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | -179.2 | 130.5 | 150.9 | -97 | 159.8 | -178.4 | -165.8 | 0 | 106.3 | ||||
| 648 | Q | 35.2 | Very low | 34.7 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | cis | 73.1 | 96 | 31.3 | -75.3 | -168.8 | -31.7 | 0 | 0 | 117 | ||||
| 649 | S | 39 | Very low | 35.4 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -174.5 | 121.4 | 143.7 | 50.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 650 | E | 30.1 | Very low | 35.5 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | 58.9 | 131.7 | 72.3 | -124.1 | -176.7 | 151.3 | 0 | 0 | 112.2 | |||||
| 651 | V | 39.2 | Very low | 35.9 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -151.4 | 129.5 | 40.8 | 165.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 652 | K | 35.8 | Very low | 36.3 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | 77.4 | 161.2 | 85.6 | -103.7 | -164 | 176 | 172.7 | 0 | 115.7 | |||||
| 653 | P | 45.7 | Very low | 36.4 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | -135.7 | -175.2 | -130 | 42.4 | -22.8 | 0 | 0 | 0 | 116.8 | |||||
| 654 | T | 33.5 | Very low | 36.6 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | 164.4 | 158.6 | 155.6 | 32.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 655 | T | 34.9 | Very low | 36.8 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | cis | -167.7 | 150.3 | -19.2 | -87.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 656 | A | 38.2 | Very low | 36.7 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 66.1 | 155.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 657 | S | 40 | Very low | 37 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -158.9 | 131.7 | -13.5 | 41.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 658 | N | 32.4 | Very low | 36.9 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | 104 | 94.8 | 52.6 | -120.2 | 18.1 | 0 | 0 | 0 | 113.8 | |||||
| 659 | T | 42.1 | Very low | 36.9 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | -163.5 | 131 | 161.7 | 36 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 660 | S | 34.4 | Very low | 36.7 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | cis | 69.7 | 148.7 | -9.3 | -115.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 661 | V | 39.4 | Very low | 36.9 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 66% | 0.655 | 75% | 0.751 | S | S | * | * | cis | -137.4 | 116.5 | 9.9 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 662 | R | 37.3 | Very low | 36.5 | Very low | 233 Ų | 233 | 138.1 Ų | 138.1 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | 171.5 | 145.8 | 143.5 | -101.1 | 141.4 | -175.5 | 171.8 | 3.5 | 111.9 | ||||
| 663 | D | 36.2 | Very low | 36.3 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | cis | 78.9 | 132.3 | 11.9 | -46.6 | -62 | 0 | 0 | 0 | 116.5 | ||||
| 664 | E | 36.1 | Very low | 35.7 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | cis | -134.7 | -143.7 | -4.1 | -145.4 | -151.1 | 120.8 | 0 | 0 | 107.5 | ||||
| 665 | K | 37.2 | Very low | 35.9 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | cis | -148.9 | 155.2 | 2.9 | -170.6 | 133.2 | -161.5 | 74.7 | 0 | 110 | ||||
| 666 | R | 33.3 | Very low | 35.9 | Very low | 229 Ų | 229 | 141.3 Ų | 141.3 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -92.4 | 142.9 | 167.7 | -62.1 | 177.5 | -179.7 | 172.1 | -1 | 112 | ||||
| 667 | I | 41 | Very low | 36.4 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | trans | -134.3 | 130.9 | 150.9 | -68.4 | -175.3 | 0 | 0 | 0 | 107.8 | ||||
| 668 | S | 34.5 | Very low | 36.6 | Very low | 89 Ų | 89 | 143.7 Ų | 143.7 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | trans | -95 | -172.1 | 172 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 669 | N | 35.2 | Very low | 37.6 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 77.8 | 151.8 | 177.3 | -35.2 | 1.6 | 0 | 0 | 0 | 111.9 | ||||
| 670 | D | 34.1 | Very low | 38.4 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | cis | -147.7 | -174.8 | -6 | -140.7 | -50.1 | 0 | 0 | 0 | 111.4 | ||||
| 671 | S | 34 | Very low | 40.2 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | -67.1 | 163.4 | -179.2 | -49.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 672 | S | 30.9 | Very low | 42.6 | Very low | 129 Ų | 129 | 138 Ų | 138 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | trans | 72.3 | 149.1 | 164.1 | 82.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 673 | G | 31.4 | Very low | 45.2 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | trans | 139.5 | 78.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R675 | G673-R675 VanDerWaalsContact C-N 3.3Å; G673-R675 PolarHBondContact O-N 2.79Å | ||
| 674 | I | 33.2 | Very low | 47.9 | Very low | 155 Ų | 155 | 122.4 Ų | 122.4 | 80% | 0.795 | 66% | 0.659 | S | S | * | * | trans | -66.6 | 92.7 | 165.5 | -61 | 174.5 | 0 | 0 | 0 | 107.7 | H676 | I674-H676 PolarHBondContact O-N 3.09Š| ||
| 675 | R | 37.7 | Very low | 50.6 | Low | 230 Ų | 230 | 118.4 Ų | 118.4 | 87% | 0.868 | 64% | 0.644 | S | S | * | * | trans | -78.2 | 89.8 | 176.1 | -76.1 | -170.2 | -76.2 | -159 | -4 | 109.7 | G673 V677 | G673-R675 VanDerWaalsContact C-N 3.3Å; G673-R675 PolarHBondContact O-N 2.79Å; R675-V677 PolarHBondContact O-N 3.32Å | ||
| 676 | H | 36.4 | Very low | 53.3 | Low | 168 Ų | 168 | 114 Ų | 114 | 78% | 0.778 | 63% | 0.626 | S | S | * | * | trans | -52.5 | 108.2 | 158.4 | -78 | -93.1 | 0 | 0 | 0 | 108.5 | I674 T678 | I674-H676 PolarHBondContact O-N 3.09Å; H676-T678 PolarHBondContact O-N 2.93Å | ||
| 677 | V | 47.1 | Very low | 56.2 | Low | 136 Ų | 136 | 103 Ų | 103 | 82% | 0.824 | 59% | 0.585 | S | S | * | * | trans | -63.9 | 116.5 | 167.2 | 177.6 | 0 | 0 | 0 | 0 | 106.4 | R675 | R675-V677 PolarHBondContact O-N 3.32Š| ||
| 678 | T | 45.8 | Very low | 58.7 | Low | 120 Ų | 120 | 97 Ų | 97 | 74% | 0.736 | 55% | 0.554 | S | S | * | * | trans | -58.9 | 132.7 | 173.6 | 41.5 | 0 | 0 | 0 | 0 | 108.6 | H676 S680 | H676-T678 PolarHBondContact O-N 2.93Å; T678-S680 PolarHBondContact O-N 2.81Å | ||
| 679 | P | 51.9 | Low | 61.5 | Low | 112 Ų | 112 | 96.5 Ų | 96.5 | 73% | 0.727 | 54% | 0.542 | S | S | * | . | trans | -63.7 | 110.6 | 179.6 | 25.6 | -32.9 | 0 | 0 | 0 | 108.7 | N681 | P679-N681 PolarHBondContact O-N 3.23Š| ||
| 680 | S | 59.1 | Low | 64.4 | Low | 58 Ų | 58 | 89.8 Ų | 89.8 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | trans | -68 | 118.4 | 172.9 | 50.1 | 0 | 0 | 0 | 0 | 108.3 | T678 D682 T685 | T678-S680 PolarHBondContact O-N 2.81Å; S680-D682 PolarHBondContact O-N 2.97Å; S680-T685 VanDerWaalsContact OG-CG2 3.24Å; S680-T685 WeakPolarHBondContact OG-CG2 3.24Å | ||
| 681 | N | 72.7 | Confident | 67.3 | Low | 142 Ų | 142 | 83.2 Ų | 83.2 | 76% | 0.759 | 47% | 0.471 | S | S | * | . | trans | -70.3 | 3.4 | -178.2 | -67.4 | -43.6 | 0 | 0 | 0 | 113.6 | P679 Q686 | P679-N681 PolarHBondContact O-N 3.23Å; N681-Q686 PolarHBondContact O-NE2 2.92Å; N681-Q686 VanDerWaalsContact O-NE2 3.17Å | ||
| 682 | D | 89.5 | Confident | 70.2 | Confident | 64 Ų | 64 | 84.6 Ų | 84.6 | 34% | 0.342 | 46% | 0.462 | S | S | . | . | trans | -62.2 | 123.5 | 170.1 | 161.5 | 40.8 | 0 | 0 | 0 | 110.5 | S680 V684 T685 Q686 | S680-D682 PolarHBondContact O-N 2.97Å; D682-V684 VanDerWaalsContact C-N 3.28Å; D682-V684 PolarHBondContact O-N 2.86Å; D682-V684 PolarHBondContact OD1-N 2.97Å; D682-T685 VanDerWaalsContact OD2-CB 3.23Å; D682-T685 WeakPolarHBondContact OD2-CB 3.47Å; D682-T685 PolarHBondContact OD2-N 2.83Å; D682-T685 PolarHBondContact OD2-OG1 2.91Å; D682-Q686 WeakPolarHBondContact O-CG 3.13Å; D682-Q686 PolarHBondContact O-N 3.28Å; D682-Q686 VanDerWaalsContact O-N 3.16Å; D682-Q686 PolarHBondContact O-NE2 3.34Å | ||
| 683 | P | 91.9 | Very high | 73.3 | Confident | 20 Ų | 20 | 80.1 Ų | 80.1 | 13% | 0.13 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.7 | -30.3 | 178 | 26.3 | -34.9 | 0 | 0 | 0 | 112.8 | Q686 L687 I718 V720 Q724 | P683-Q686 PolarHBondContact O-N 3.48Å; P683-L687 WeakPolarHBondContact O-CB 3.39Å; P683-L687 WeakPolarHBondContact O-CG 3.18Å; P683-L687 PolarHBondContact O-N 3.03Å; P683-I718 HydrophobicContact CB-CG2 3.69Å; P683-V720 HydrophobicContact CB-CG2 4.31Å; P683-Q724 VanDerWaalsContact CG-NE2 3.33Å |
| 684 | V | 93 | Very high | 76.4 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.3 | -42.8 | -178.1 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | D682 L687 N688 Q724 E727 | D682-V684 VanDerWaalsContact C-N 3.28Å; D682-V684 PolarHBondContact O-N 2.86Å; D682-V684 PolarHBondContact OD1-N 2.97Å; V684-L687 PolarHBondContact O-N 2.85Å; V684-N688 WeakPolarHBondContact O-CB 3.38Å; V684-N688 PolarHBondContact O-N 3.33Å; V684-N688 PolarHBondContact O-ND2 2.98Å; V684-Q724 HydrophobicContact CG2-CB 3.72Å; V684-Q724 HydrophobicContact CG2-CG 3.95Å; V684-E727 HydrophobicContact CG1-CB 3.86Å; V684-E727 HydrophobicContact CG2-CB 4.43Å |
| 685 | T | 93 | Very high | 79.4 | Confident | 57 Ų | 57 | 74 Ų | 74 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 172.9 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | S680 D682 N688 Q689 | S680-T685 VanDerWaalsContact OG-CG2 3.24Å; S680-T685 WeakPolarHBondContact OG-CG2 3.24Å; D682-T685 VanDerWaalsContact OD2-CB 3.23Å; D682-T685 WeakPolarHBondContact OD2-CB 3.47Å; D682-T685 PolarHBondContact OD2-N 2.83Å; D682-T685 PolarHBondContact OD2-OG1 2.91Å; T685-N688 PolarHBondContact O-N 3.31Å; T685-Q689 WeakPolarHBondContact O-CB 3.29Å; T685-Q689 PolarHBondContact O-N 3.02Å |
| 686 | Q | 93.2 | Very high | 82.1 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.2 | -72.2 | 176.1 | 74.8 | 0 | 0 | 112.8 | N681 D682 P683 Q689 C690 I718 | N681-Q686 PolarHBondContact O-NE2 2.92Å; N681-Q686 VanDerWaalsContact O-NE2 3.17Å; D682-Q686 WeakPolarHBondContact O-CG 3.13Å; D682-Q686 PolarHBondContact O-N 3.28Å; D682-Q686 VanDerWaalsContact O-N 3.16Å; D682-Q686 PolarHBondContact O-NE2 3.34Å; P683-Q686 PolarHBondContact O-N 3.48Å; Q686-Q689 PolarHBondContact O-N 3.16Å; Q686-C690 PolarHBondContact O-N 3.44Å; Q686-C690 PolarHBondContact O-SG 2.91Å; Q686-I718 HydrophobicContact CB-CD1 3.91Å |
| 687 | L | 94.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 174.1 | -71.2 | 169.1 | 0 | 0 | 0 | 111.2 | P683 V684 Q689 C690 C691 V715 I718 V720 A728 L731 | P683-L687 WeakPolarHBondContact O-CB 3.39Å; P683-L687 WeakPolarHBondContact O-CG 3.18Å; P683-L687 PolarHBondContact O-N 3.03Å; V684-L687 PolarHBondContact O-N 2.85Å; L687-Q689 VanDerWaalsContact C-N 3.33Å; L687-Q689 PolarHBondContact O-N 2.97Å; L687-C690 PolarHBondContact O-N 2.61Å; L687-C691 WeakPolarHBondContact O-CB 3.42Å; L687-C691 PolarHBondContact O-N 3.37Å; L687-V715 HydrophobicContact CD2-CG1 4.13Å; L687-I718 HydrophobicContact CD2-CD1 3.97Å; L687-I718 HydrophobicContact CG-CD1 4.32Å; L687-V720 HydrophobicContact CD1-CG1 3.89Å; L687-V720 HydrophobicContact CD1-CG2 3.81Å; L687-V720 HydrophobicContact CD2-CG2 4.16Å; L687-V720 HydrophobicContact CG-CG2 4.23Å; L687-A728 HydrophobicContact CB-CB 3.83Å; L687-A728 HydrophobicContact CD1-CB 3.98Å; L687-L731 HydrophobicContact CB-CD2 3.84Å; L687-L731 HydrophobicContact CD2-CD2 3.52Å; L687-L731 HydrophobicContact CG-CD2 4.23Å |
| 688 | N | 93.5 | Very high | 87.1 | Confident | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.219 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -32.9 | 177 | -79.6 | -60.3 | 0 | 0 | 0 | 112.8 | V684 T685 C691 R692 | V684-N688 WeakPolarHBondContact O-CB 3.38Å; V684-N688 PolarHBondContact O-N 3.33Å; V684-N688 PolarHBondContact O-ND2 2.98Å; T685-N688 PolarHBondContact O-N 3.31Å; N688-C691 WeakPolarHBondContact O-CB 3.47Å; N688-C691 PolarHBondContact O-N 3.49Å; N688-R692 PolarHBondContact O-N 3.15Å; N688-R692 VanDerWaalsContact O-N 3.14Å |
| 689 | Q | 94.4 | Very high | 89.4 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.9 | -50.1 | 170.5 | -171.8 | 60.1 | 37.6 | 0 | 0 | 110.9 | T685 Q686 L687 C691 R692 D693 | T685-Q689 WeakPolarHBondContact O-CB 3.29Å; T685-Q689 PolarHBondContact O-N 3.02Å; Q686-Q689 PolarHBondContact O-N 3.16Å; L687-Q689 VanDerWaalsContact C-N 3.33Å; L687-Q689 PolarHBondContact O-N 2.97Å; Q689-C691 PolarHBondContact O-N 2.87Å; Q689-C691 VanDerWaalsContact O-N 3.14Å; Q689-R692 WeakPolarHBondContact O-CA 3.39Å; Q689-R692 WeakPolarHBondContact O-CB 3.12Å; Q689-R692 PolarHBondContact O-N 2.87Å; Q689-D693 PolarHBondContact NE2-OD1 3.44Å; Q689-D693 PolarHBondContact O-N 2.75Å |
| 690 | C | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -29.4 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | Q686 L687 L694 V715 | Q686-C690 PolarHBondContact O-N 3.44Å; Q686-C690 PolarHBondContact O-SG 2.91Å; L687-C690 PolarHBondContact O-N 2.61Å; C690-L694 WeakPolarHBondContact O-CB 3.49Å; C690-L694 PolarHBondContact O-N 3.13Å; C690-V715 HydrophobicContact CB-CG2 3.64Å |
| 691 | C | 95.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 171.9 | -172 | 0 | 0 | 0 | 0 | 112.6 | L687 N688 Q689 K695 L731 | L687-C691 WeakPolarHBondContact O-CB 3.42Å; L687-C691 PolarHBondContact O-N 3.37Å; N688-C691 WeakPolarHBondContact O-CB 3.47Å; N688-C691 PolarHBondContact O-N 3.49Å; Q689-C691 PolarHBondContact O-N 2.87Å; Q689-C691 VanDerWaalsContact O-N 3.14Å; C691-K695 WeakPolarHBondContact O-CB 3.48Å; C691-K695 WeakPolarHBondContact O-CD 3.45Å; C691-K695 WeakPolarHBondContact O-CG 3.33Å; C691-K695 PolarHBondContact O-N 3.26Å; C691-K695 VanDerWaalsContact SG-CE 3.51Å; C691-L731 HydrophobicContact CB-CB 3.96Å; C691-L731 HydrophobicContact CB-CD1 3.91Å; C691-L731 HydrophobicContact CB-CG 4.45Å |
| 692 | R | 95.6 | Very high | 93.3 | Very high | 123 Ų | 123 | 56.6 Ų | 56.6 | 46% | 0.464 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.8 | -51.2 | 173.1 | -71.5 | -177.7 | -72.5 | -94.6 | 6.8 | 110.7 | N688 Q689 L694 K695 T696 | N688-R692 PolarHBondContact O-N 3.15Å; N688-R692 VanDerWaalsContact O-N 3.14Å; Q689-R692 WeakPolarHBondContact O-CA 3.39Å; Q689-R692 WeakPolarHBondContact O-CB 3.12Å; Q689-R692 PolarHBondContact O-N 2.87Å; R692-L694 VanDerWaalsContact C-N 3.35Å; R692-L694 PolarHBondContact O-N 3.08Å; R692-K695 WeakPolarHBondContact O-CB 3.38Å; R692-K695 PolarHBondContact O-N 3.29Å; R692-K695 VanDerWaalsContact O-N 3.14Å; R692-T696 PolarHBondContact O-N 3.3Å; R692-T696 PolarHBondContact O-OG1 3.25Å |
| 693 | D | 96 | Very high | 93.5 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.9 | -48.8 | 179.8 | -53.8 | -22.1 | 0 | 0 | 0 | 110.7 | Q689 K695 T696 S697 L711 | Q689-D693 PolarHBondContact NE2-OD1 3.44Å; Q689-D693 PolarHBondContact O-N 2.75Å; D693-K695 VanDerWaalsContact C-N 3.33Å; D693-K695 PolarHBondContact O-N 2.91Å; D693-T696 WeakPolarHBondContact CA-OG1 3.46Å; D693-T696 PolarHBondContact O-N 2.93Å; D693-T696 VanDerWaalsContact O-N 3.08Å; D693-T696 PolarHBondContact O-OG1 3.26Å; D693-S697 PolarHBondContact O-N 3.43Å; D693-S697 PolarHBondContact O-OG 3.32Å; D693-S697 VanDerWaalsContact O-OG 3.08Å; D693-L711 HydrophobicContact CB-CD1 3.51Å; D693-L711 HydrophobicContact CB-CD2 3.65Å; D693-L711 HydrophobicContact CB-CG 4.23Å |
| 694 | L | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.7 | -31.4 | -179.6 | -178.4 | 62.9 | 0 | 0 | 0 | 112.6 | C690 R692 L698 A708 L711 L712 | C690-L694 WeakPolarHBondContact O-CB 3.49Å; C690-L694 PolarHBondContact O-N 3.13Å; R692-L694 VanDerWaalsContact C-N 3.35Å; R692-L694 PolarHBondContact O-N 3.08Å; L694-L698 HydrophobicContact CD1-CD1 3.75Å; L694-L698 HydrophobicContact CD1-CG 4.3Å; L694-L698 HydrophobicContact CG-CD1 4.2Å; L694-L698 WeakPolarHBondContact O-CG 3.29Å; L694-A708 HydrophobicContact CD1-CB 3.73Å; L694-L711 HydrophobicContact CB-CD1 4.34Å; L694-L712 HydrophobicContact CD1-CD1 4.38Å; L694-L712 HydrophobicContact CD1-CG 4.18Å; L694-L712 HydrophobicContact CD2-CD2 3.76Å; L694-L712 HydrophobicContact CD2-CG 4.12Å |
| 695 | K | 95.3 | Very high | 93.8 | Very high | 87 Ų | 87 | 60.8 Ų | 60.8 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 170.7 | -76.2 | 167 | 179.8 | 176.9 | 0 | 110.8 | C691 R692 D693 I699 D730 | C691-K695 WeakPolarHBondContact O-CB 3.48Å; C691-K695 WeakPolarHBondContact O-CD 3.45Å; C691-K695 WeakPolarHBondContact O-CG 3.33Å; C691-K695 PolarHBondContact O-N 3.26Å; C691-K695 VanDerWaalsContact SG-CE 3.51Å; R692-K695 WeakPolarHBondContact O-CB 3.38Å; R692-K695 PolarHBondContact O-N 3.29Å; R692-K695 VanDerWaalsContact O-N 3.14Å; D693-K695 VanDerWaalsContact C-N 3.33Å; D693-K695 PolarHBondContact O-N 2.91Å; K695-I699 WeakPolarHBondContact O-CG1 3.44Å; K695-D730 IonicContact NZ-OD1 2.65Å; K695-D730 PolarHBondContact NZ-OD1 3.14Å; K695-D730 IonicContact NZ-OD2 3.28Å; K695-D730 PolarHBondContact NZ-OD2 3.25Å |
| 696 | T | 95.1 | Very high | 94 | Very high | 80 Ų | 80 | 62.3 Ų | 62.3 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.5 | -46.1 | 177.6 | 40.8 | 0 | 0 | 0 | 0 | 113.4 | R692 D693 L698 I699 | R692-T696 PolarHBondContact O-N 3.3Å; R692-T696 PolarHBondContact O-OG1 3.25Å; D693-T696 WeakPolarHBondContact CA-OG1 3.46Å; D693-T696 PolarHBondContact O-N 2.93Å; D693-T696 VanDerWaalsContact O-N 3.08Å; D693-T696 PolarHBondContact O-OG1 3.26Å; T696-L698 PolarHBondContact O-N 3Å; T696-I699 HydrophobicContact CG2-CD1 4.21Å; T696-I699 WeakPolarHBondContact O-CB 3.46Å; T696-I699 WeakPolarHBondContact O-CG1 3.44Å; T696-I699 PolarHBondContact O-N 3.01Å; T696-I699 VanDerWaalsContact O-N 3.13Å |
| 697 | S | 94.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -6.2 | 179.6 | -48.6 | 0 | 0 | 0 | 0 | 114.1 | D693 N704 E707 | D693-S697 PolarHBondContact O-N 3.43Å; D693-S697 PolarHBondContact O-OG 3.32Å; D693-S697 VanDerWaalsContact O-OG 3.08Å; S697-N704 PolarHBondContact O-N 3.21Å; S697-E707 WeakPolarHBondContact CB-OE2 3.17Å; S697-E707 WeakPolarHBondContact OG-CG 3.36Å; S697-E707 PolarHBondContact OG-OE2 3.04Å |
| 698 | L | 94.3 | Very high | 94.2 | Very high | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 15 | 177.4 | -61.8 | 177.6 | 0 | 0 | 0 | 113.1 | L694 T696 F705 A708 Y741 V747 | L694-L698 HydrophobicContact CD1-CD1 3.75Å; L694-L698 HydrophobicContact CD1-CG 4.3Å; L694-L698 HydrophobicContact CG-CD1 4.2Å; L694-L698 WeakPolarHBondContact O-CG 3.29Å; T696-L698 PolarHBondContact O-N 3Å; L698-F705 HydrophobicContact CD2-CD1 4.41Å; L698-A708 HydrophobicContact CD1-CB 4.42Å; L698-A708 HydrophobicContact CD2-CB 3.69Å; L698-A708 HydrophobicContact CG-CB 4Å; L698-Y741 HydrophobicContact CD2-CE1 4.07Å; L698-Y741 HydrophobicContact CD2-CE2 4.38Å; L698-V747 HydrophobicContact CD1-CG1 4.12Å; L698-V747 HydrophobicContact CD2-CG1 4.17Å; L698-V747 HydrophobicContact CD2-CG2 4.34Å |
| 699 | I | 92.4 | Very high | 94.4 | Very high | 87 Ų | 87 | 62.4 Ų | 62.4 | 45% | 0.446 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -63.8 | 134.2 | 170.7 | -69.5 | 173.5 | 0 | 0 | 0 | 109.6 | K695 T696 G701 H702 E703 | K695-I699 WeakPolarHBondContact O-CG1 3.44Å; T696-I699 HydrophobicContact CG2-CD1 4.21Å; T696-I699 WeakPolarHBondContact O-CB 3.46Å; T696-I699 WeakPolarHBondContact O-CG1 3.44Å; T696-I699 PolarHBondContact O-N 3.01Å; T696-I699 VanDerWaalsContact O-N 3.13Å; I699-G701 PolarHBondContact O-N 2.7Å; I699-H702 CarbonylContact O-C 3.53Å; I699-H702 PolarHBondContact O-N 3.26Å; I699-E703 PolarHBondContact O-N 3.29Å |
| 700 | K | 88.9 | Confident | 94.5 | Very high | 189 Ų | 189 | 64.5 Ų | 64.5 | 82% | 0.822 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 126.2 | -178.4 | -168.8 | -169.5 | 174.6 | -163.3 | 0 | 111.6 | E703 | K700-E703 WeakPolarHBondContact CA-OE1 3.48Š|
| 701 | G | 88.5 | Confident | 94.6 | Very high | 60 Ų | 60 | 65.1 Ų | 65.1 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -4.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I699 E703 | I699-G701 PolarHBondContact O-N 2.7Å; G701-E703 VanDerWaalsContact CA-OE2 3.25Å; G701-E703 WeakPolarHBondContact CA-OE2 3.29Å; G701-E703 VanDerWaalsContact N-CD 3.27Å; G701-E703 PolarHBondContact N-OE1 3.42Å; G701-E703 PolarHBondContact N-OE2 3.08Å |
| 702 | H | 89.8 | Confident | 94.6 | Very high | 152 Ų | 152 | 65 Ų | 65 | 70% | 0.704 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -136.8 | 31.9 | 178.1 | -63.7 | 84.9 | 0 | 0 | 0 | 110.6 | I699 N704 | I699-H702 CarbonylContact O-C 3.53Å; I699-H702 PolarHBondContact O-N 3.26Å; H702-N704 PolarHBondContact O-N 3.4Å |
| 703 | E | 92.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | trans | -70.9 | 110 | -173.5 | -63.7 | 90.7 | 155.9 | 0 | 0 | 113.3 | I699 K700 G701 F705 Y741 L743 | I699-E703 PolarHBondContact O-N 3.29Å; K700-E703 WeakPolarHBondContact CA-OE1 3.48Å; G701-E703 VanDerWaalsContact CA-OE2 3.25Å; G701-E703 WeakPolarHBondContact CA-OE2 3.29Å; G701-E703 VanDerWaalsContact N-CD 3.27Å; G701-E703 PolarHBondContact N-OE1 3.42Å; G701-E703 PolarHBondContact N-OE2 3.08Å; E703-F705 HydrophobicContact CB-CD1 4.17Å; E703-F705 HydrophobicContact CB-CE1 3.48Å; E703-F705 VanDerWaalsContact CB-CE1 3.48Å; E703-F705 HydrophobicContact CB-CZ 3.68Å; E703-F705 HydrophobicContact CG-CE1 3.97Å; E703-F705 HydrophobicContact CG-CZ 4.24Å; E703-Y741 WeakPolarHBondContact CG-OH 3.43Å; E703-L743 HydrophobicContact CG-CD2 4.11Å; E703-L743 VanDerWaalsContact OE1-CD2 3.22Å; E703-L743 WeakPolarHBondContact OE1-CD2 3.34Å | ||
| 704 | N | 95 | Very high | 94.6 | Very high | 69 Ų | 69 | 64.9 Ų | 64.9 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | trans | -101.9 | 84.4 | 172.1 | -172.4 | -5.1 | 0 | 0 | 0 | 110.7 | S697 H702 V706 E707 A708 | S697-N704 PolarHBondContact O-N 3.21Å; H702-N704 PolarHBondContact O-N 3.4Å; N704-V706 VanDerWaalsContact C-N 3.3Å; N704-V706 PolarHBondContact O-N 2.79Å; N704-E707 HydrophobicContact CB-CB 4.12Å; N704-E707 WeakPolarHBondContact ND2-CB 3.23Å; N704-E707 PolarHBondContact ND2-OE2 3.06Å; N704-E707 PolarHBondContact O-N 3.17Å; N704-E707 PolarHBondContact OD1-N 3.44Å; N704-A708 WeakPolarHBondContact O-CB 3.35Å; N704-A708 PolarHBondContact O-N 3.41Å | ||
| 705 | F | 96.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -33.8 | -176.6 | -52.6 | -49.1 | 0 | 0 | 0 | 113.5 | L698 E703 A708 V709 Y741 L743 V747 | L698-F705 HydrophobicContact CD2-CD1 4.41Å; E703-F705 HydrophobicContact CB-CD1 4.17Å; E703-F705 HydrophobicContact CB-CE1 3.48Å; E703-F705 VanDerWaalsContact CB-CE1 3.48Å; E703-F705 HydrophobicContact CB-CZ 3.68Å; E703-F705 HydrophobicContact CG-CE1 3.97Å; E703-F705 HydrophobicContact CG-CZ 4.24Å; F705-A708 PolarHBondContact O-N 3.47Å; F705-V709 WeakPolarHBondContact O-CG2 3.43Å; F705-V709 PolarHBondContact O-N 2.9Å; F705-Y741 HydrophobicContact CD1-CE1 4.23Å; F705-Y741 AromaticContact CE1-CE1 3.8Å; F705-Y741 HydrophobicContact CE1-CE1 3.8Å; F705-L743 HydrophobicContact CE1-CB 4Å; F705-L743 HydrophobicContact CZ-CB 3.85Å; F705-L743 HydrophobicContact CZ-CD2 4.43Å; F705-V747 HydrophobicContact CB-CG2 4.05Å; F705-V747 HydrophobicContact CD1-CG2 4.16Å |
| 706 | V | 96.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.4 | -47.8 | -178.4 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | N704 V709 Q710 | N704-V706 VanDerWaalsContact C-N 3.3Å; N704-V706 PolarHBondContact O-N 2.79Å; V706-V709 PolarHBondContact O-N 3.14Å; V706-Q710 WeakPolarHBondContact O-CG 3.41Å; V706-Q710 PolarHBondContact O-N 3.06Å |
| 707 | E | 96 | Very high | 94.4 | Very high | 79 Ų | 79 | 65.7 Ų | 65.7 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 173.9 | -179.2 | 179.9 | -134.9 | 0 | 0 | 111.7 | S697 N704 V709 Q710 L711 | S697-E707 WeakPolarHBondContact CB-OE2 3.17Å; S697-E707 WeakPolarHBondContact OG-CG 3.36Å; S697-E707 PolarHBondContact OG-OE2 3.04Å; N704-E707 HydrophobicContact CB-CB 4.12Å; N704-E707 WeakPolarHBondContact ND2-CB 3.23Å; N704-E707 PolarHBondContact ND2-OE2 3.06Å; N704-E707 PolarHBondContact O-N 3.17Å; N704-E707 PolarHBondContact OD1-N 3.44Å; E707-V709 VanDerWaalsContact C-N 3.31Å; E707-V709 PolarHBondContact O-N 3.02Å; E707-Q710 CarbonylContact O-C 3.6Å; E707-Q710 WeakPolarHBondContact O-CB 3.43Å; E707-Q710 PolarHBondContact O-N 2.9Å; E707-Q710 VanDerWaalsContact O-N 3.09Å; E707-L711 HydrophobicContact CG-CD1 3.9Å; E707-L711 HydrophobicContact CG-CG 4.34Å; E707-L711 WeakPolarHBondContact O-CB 3.4Å; E707-L711 VanDerWaalsContact O-CG 3.26Å; E707-L711 WeakPolarHBondContact O-CG 3.26Å; E707-L711 PolarHBondContact O-N 2.87Å |
| 708 | A | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.6 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L694 L698 N704 F705 L712 V747 | L694-A708 HydrophobicContact CD1-CB 3.73Å; L698-A708 HydrophobicContact CD1-CB 4.42Å; L698-A708 HydrophobicContact CD2-CB 3.69Å; L698-A708 HydrophobicContact CG-CB 4Å; N704-A708 WeakPolarHBondContact O-CB 3.35Å; N704-A708 PolarHBondContact O-N 3.41Å; F705-A708 PolarHBondContact O-N 3.47Å; A708-L712 WeakPolarHBondContact O-CB 3.41Å; A708-L712 WeakPolarHBondContact O-CD1 3.44Å; A708-L712 VanDerWaalsContact O-CG 3.26Å; A708-L712 WeakPolarHBondContact O-CG 3.36Å; A708-L712 PolarHBondContact O-N 3.26Å; A708-V747 HydrophobicContact CB-CG2 3.95Å |
| 709 | V | 97.2 | Very high | 94 | Very high | 29 Ų | 29 | 70.1 Ų | 70.1 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 172.9 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | F705 V706 E707 L711 L712 N713 E746 V747 A750 | F705-V709 WeakPolarHBondContact O-CG2 3.43Å; F705-V709 PolarHBondContact O-N 2.9Å; V706-V709 PolarHBondContact O-N 3.14Å; E707-V709 VanDerWaalsContact C-N 3.31Å; E707-V709 PolarHBondContact O-N 3.02Å; V709-L711 VanDerWaalsContact C-N 3.34Å; V709-L711 PolarHBondContact O-N 3.35Å; V709-L712 PolarHBondContact O-N 3.48Å; V709-N713 PolarHBondContact O-N 2.62Å; V709-N713 PolarHBondContact O-ND2 3.2Å; V709-N713 PolarHBondContact O-OD1 3.43Å; V709-E746 HydrophobicContact CG2-CB 3.9Å; V709-V747 HydrophobicContact CG2-CG2 3.99Å; V709-A750 HydrophobicContact CG1-CB 4.31Å; V709-A750 HydrophobicContact CG2-CB 4.26Å |
| 710 | Q | 96.8 | Very high | 93.8 | Very high | 123 Ų | 123 | 66.6 Ų | 66.6 | 58% | 0.575 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 175.4 | -71.7 | 175.4 | 11.4 | 0 | 0 | 112.3 | V706 E707 N713 K714 | V706-Q710 WeakPolarHBondContact O-CG 3.41Å; V706-Q710 PolarHBondContact O-N 3.06Å; E707-Q710 CarbonylContact O-C 3.6Å; E707-Q710 WeakPolarHBondContact O-CB 3.43Å; E707-Q710 PolarHBondContact O-N 2.9Å; E707-Q710 VanDerWaalsContact O-N 3.09Å; Q710-N713 WeakPolarHBondContact O-CB 3.46Å; Q710-N713 PolarHBondContact O-N 2.57Å; Q710-K714 WeakPolarHBondContact O-CB 3.27Å; Q710-K714 PolarHBondContact O-N 3.38Å |
| 711 | L | 96.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 175.6 | -70.1 | 166.4 | 0 | 0 | 0 | 111.9 | D693 L694 E707 V709 N713 K714 V715 | D693-L711 HydrophobicContact CB-CD1 3.51Å; D693-L711 HydrophobicContact CB-CD2 3.65Å; D693-L711 HydrophobicContact CB-CG 4.23Å; L694-L711 HydrophobicContact CB-CD1 4.34Å; E707-L711 HydrophobicContact CG-CD1 3.9Å; E707-L711 HydrophobicContact CG-CG 4.34Å; E707-L711 WeakPolarHBondContact O-CB 3.4Å; E707-L711 VanDerWaalsContact O-CG 3.26Å; E707-L711 WeakPolarHBondContact O-CG 3.26Å; E707-L711 PolarHBondContact O-N 2.87Å; V709-L711 VanDerWaalsContact C-N 3.34Å; V709-L711 PolarHBondContact O-N 3.35Å; L711-N713 VanDerWaalsContact C-N 3.27Å; L711-N713 PolarHBondContact O-N 2.62Å; L711-K714 HydrophobicContact CD2-CD 4.29Å; L711-K714 WeakPolarHBondContact O-CB 3.37Å; L711-K714 PolarHBondContact O-N 2.71Å; L711-V715 WeakPolarHBondContact O-CG2 3.31Å; L711-V715 PolarHBondContact O-N 3.01Å |
| 712 | L | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -31.2 | 172.8 | -73 | 164.8 | 0 | 0 | 0 | 112.4 | L694 A708 V709 I735 V747 A750 A751 T754 | L694-L712 HydrophobicContact CD1-CD1 4.38Å; L694-L712 HydrophobicContact CD1-CG 4.18Å; L694-L712 HydrophobicContact CD2-CD2 3.76Å; L694-L712 HydrophobicContact CD2-CG 4.12Å; A708-L712 WeakPolarHBondContact O-CB 3.41Å; A708-L712 WeakPolarHBondContact O-CD1 3.44Å; A708-L712 VanDerWaalsContact O-CG 3.26Å; A708-L712 WeakPolarHBondContact O-CG 3.36Å; A708-L712 PolarHBondContact O-N 3.26Å; V709-L712 PolarHBondContact O-N 3.48Å; L712-I735 HydrophobicContact CD2-CD1 4.31Å; L712-I735 HydrophobicContact CD2-CG1 3.88Å; L712-V747 HydrophobicContact CD1-CG1 4.19Å; L712-A750 HydrophobicContact CB-CB 3.93Å; L712-A750 HydrophobicContact CD1-CB 3.79Å; L712-A750 HydrophobicContact CG-CB 4.5Å; L712-A751 HydrophobicContact CD1-CB 4.1Å; L712-A751 HydrophobicContact CD2-CB 4.26Å; L712-T754 PolarHBondContact O-OG1 3.47Å; L712-T754 VanDerWaalsContact O-OG1 3.07Å |
| 713 | N | 95.7 | Very high | 94 | Very high | 65 Ų | 65 | 55.1 Ų | 55.1 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.9 | -43.6 | 170.8 | -64.6 | -19.1 | 0 | 0 | 0 | 111.6 | V709 Q710 L711 V715 R716 S717 | V709-N713 PolarHBondContact O-N 2.62Å; V709-N713 PolarHBondContact O-ND2 3.2Å; V709-N713 PolarHBondContact O-OD1 3.43Å; Q710-N713 WeakPolarHBondContact O-CB 3.46Å; Q710-N713 PolarHBondContact O-N 2.57Å; L711-N713 VanDerWaalsContact C-N 3.27Å; L711-N713 PolarHBondContact O-N 2.62Å; N713-V715 VanDerWaalsContact C-N 3.35Å; N713-V715 PolarHBondContact O-N 2.85Å; N713-R716 WeakPolarHBondContact O-CB 3.49Å; N713-R716 PolarHBondContact O-N 2.92Å; N713-R716 PolarHBondContact OD1-NH2 2.96Å; N713-S717 PolarHBondContact O-N 3.13Å |
| 714 | K | 95.1 | Very high | 94 | Very high | 89 Ų | 89 | 54.4 Ų | 54.4 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 175.7 | -175.1 | -179.3 | 173.7 | -169.4 | 0 | 111.3 | Q710 L711 R716 S717 I718 | Q710-K714 WeakPolarHBondContact O-CB 3.27Å; Q710-K714 PolarHBondContact O-N 3.38Å; L711-K714 HydrophobicContact CD2-CD 4.29Å; L711-K714 WeakPolarHBondContact O-CB 3.37Å; L711-K714 PolarHBondContact O-N 2.71Å; K714-R716 VanDerWaalsContact C-N 3.25Å; K714-R716 PolarHBondContact O-N 2.68Å; K714-S717 WeakPolarHBondContact O-CA 3.41Å; K714-S717 WeakPolarHBondContact O-CB 3.49Å; K714-S717 PolarHBondContact O-N 2.87Å; K714-S717 PolarHBondContact O-OG 3.45Å; K714-I718 PolarHBondContact O-N 3.1Å |
| 715 | V | 95.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.9 | -34 | 175.1 | 168.7 | 0 | 0 | 0 | 0 | 112.8 | L687 C690 L711 N713 S717 L731 I735 T754 F758 | L687-V715 HydrophobicContact CD2-CG1 4.13Å; C690-V715 HydrophobicContact CB-CG2 3.64Å; L711-V715 WeakPolarHBondContact O-CG2 3.31Å; L711-V715 PolarHBondContact O-N 3.01Å; N713-V715 VanDerWaalsContact C-N 3.35Å; N713-V715 PolarHBondContact O-N 2.85Å; V715-S717 VanDerWaalsContact C-N 3.3Å; V715-S717 PolarHBondContact O-N 2.97Å; V715-L731 HydrophobicContact CG1-CD2 4.02Å; V715-L731 HydrophobicContact CG2-CD1 4.36Å; V715-L731 HydrophobicContact CG2-CD2 4.07Å; V715-I735 HydrophobicContact CG1-CD1 4.28Å; V715-T754 HydrophobicContact CB-CG2 4.31Å; V715-T754 HydrophobicContact CG1-CG2 3.67Å; V715-F758 HydrophobicContact CG1-CE1 3.98Å; V715-F758 HydrophobicContact CG1-CZ 3.6Å |
| 716 | R | 94.2 | Very high | 93.7 | Very high | 96 Ų | 96 | 48.6 Ų | 48.6 | 36% | 0.362 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -76.7 | -12.4 | 174.4 | -66.4 | -172.2 | -71.9 | 157.4 | -5.1 | 114.2 | N713 K714 T753 T754 F757 | N713-R716 WeakPolarHBondContact O-CB 3.49Å; N713-R716 PolarHBondContact O-N 2.92Å; N713-R716 PolarHBondContact OD1-NH2 2.96Å; K714-R716 VanDerWaalsContact C-N 3.25Å; K714-R716 PolarHBondContact O-N 2.68Å; R716-T753 PolarHBondContact NH1-OG1 3.36Å; R716-T754 WeakPolarHBondContact CD-OG1 3.39Å; R716-T754 HydrophobicContact CG-CG2 3.83Å; R716-T754 WeakPolarHBondContact CG-OG1 3.4Å; R716-F757 HydrophobicContact CB-CD1 4.4Å; R716-F757 HydrophobicContact CG-CB 4.41Å; R716-F757 HydrophobicContact CG-CD1 4.1Å; R716-F757 HydrophobicContact CG-CG 4.42Å |
| 717 | S | 93.4 | Very high | 93.4 | Very high | 88 Ų | 88 | 49 Ų | 49 | 62% | 0.615 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -97.1 | -16 | -179.2 | 74.7 | 0 | 0 | 0 | 0 | 114 | N713 K714 V715 | N713-S717 PolarHBondContact O-N 3.13Å; K714-S717 WeakPolarHBondContact O-CA 3.41Å; K714-S717 WeakPolarHBondContact O-CB 3.49Å; K714-S717 PolarHBondContact O-N 2.87Å; K714-S717 PolarHBondContact O-OG 3.45Å; V715-S717 VanDerWaalsContact C-N 3.3Å; V715-S717 PolarHBondContact O-N 2.97Å |
| 718 | I | 92.5 | Very high | 93.2 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74.3 | 130.2 | 176.2 | -56.8 | 166.3 | 0 | 0 | 0 | 108.3 | P683 Q686 L687 K714 V720 | P683-I718 HydrophobicContact CB-CG2 3.69Å; Q686-I718 HydrophobicContact CB-CD1 3.91Å; L687-I718 HydrophobicContact CD2-CD1 3.97Å; L687-I718 HydrophobicContact CG-CD1 4.32Å; K714-I718 PolarHBondContact O-N 3.1Å; I718-V720 HydrophobicContact CB-CG2 3.97Å; I718-V720 HydrophobicContact CG2-CG2 3.6Å; I718-V720 PolarHBondContact O-N 3.34Å |
| 719 | P | 88.3 | Confident | 92.9 | Very high | 115 Ų | 115 | 49.4 Ų | 49.4 | 75% | 0.747 | 25% | 0.245 | S | C | * | . | trans | -73.6 | 114.1 | 171.4 | 29.3 | -32.5 | 0 | 0 | 0 | 110 | ||||
| 720 | V | 88.7 | Confident | 92.6 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 9% | 0.085 | 25% | 0.249 | C | C | . | . | trans | -134.2 | 131.1 | -171.1 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | P683 L687 I718 Q724 L725 | P683-V720 HydrophobicContact CB-CG2 4.31Å; L687-V720 HydrophobicContact CD1-CG1 3.89Å; L687-V720 HydrophobicContact CD1-CG2 3.81Å; L687-V720 HydrophobicContact CD2-CG2 4.16Å; L687-V720 HydrophobicContact CG-CG2 4.23Å; I718-V720 HydrophobicContact CB-CG2 3.97Å; I718-V720 HydrophobicContact CG2-CG2 3.6Å; I718-V720 PolarHBondContact O-N 3.34Å; V720-Q724 HydrophobicContact CG1-CB 4.06Å; V720-L725 HydrophobicContact CG1-CB 3.8Å | ||
| 721 | R | 90.8 | Very high | 92.5 | Very high | 132 Ų | 132 | 44.6 Ų | 44.6 | 50% | 0.498 | 22% | 0.222 | S | C | . | . | trans | -91.3 | 156.9 | 167.8 | -59.6 | -176.6 | -60.8 | 116.1 | -0.3 | 110.9 | P723 Q724 L725 E769 | R721-P723 VanDerWaalsContact C-CD 3.49Å; R721-Q724 WeakPolarHBondContact O-CB 3.3Å; R721-Q724 PolarHBondContact O-N 2.95Å; R721-L725 PolarHBondContact O-N 3.43Å; R721-L725 VanDerWaalsContact O-N 3.16Å; R721-E769 WeakPolarHBondContact CD-OE1 3.44Å; R721-E769 IonicContact CZ-OE1 2.66Å; R721-E769 IonicContact NE-OE1 2.59Å; R721-E769 IonicContact NH1-OE1 2.69Å; R721-E769 PolarHBondContact NH1-OE1 2.96Å | ||
| 722 | L | 90.4 | Very high | 92.2 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.1 | -39.8 | -174.8 | -170.5 | 68.8 | 0 | 0 | 0 | 114.6 | Q724 L725 A726 Q762 T765 A773 | L722-Q724 PolarHBondContact O-N 3.33Å; L722-L725 HydrophobicContact CD1-CD2 4.5Å; L722-L725 PolarHBondContact O-N 3.33Å; L722-A726 PolarHBondContact O-N 2.99Å; L722-Q762 HydrophobicContact CD1-CB 4.21Å; L722-Q762 HydrophobicContact CD2-CB 4.49Å; L722-Q762 HydrophobicContact CD2-CG 4.12Å; L722-T765 HydrophobicContact CB-CG2 4.4Å; L722-T765 HydrophobicContact CD2-CG2 3.66Å; L722-A773 HydrophobicContact CD2-CB 3.88Å; L722-A773 HydrophobicContact CG-CB 3.78Å |
| 723 | P | 90.2 | Very high | 91.9 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.071 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 175.6 | -25.2 | 36.2 | 0 | 0 | 0 | 113.5 | R721 L725 A726 E727 E769 K772 L776 | R721-P723 VanDerWaalsContact C-CD 3.49Å; P723-L725 VanDerWaalsContact C-N 3.29Å; P723-L725 PolarHBondContact O-N 3.46Å; P723-A726 WeakPolarHBondContact O-CA 3.42Å; P723-A726 WeakPolarHBondContact O-CB 3.28Å; P723-A726 PolarHBondContact O-N 3.18Å; P723-E727 PolarHBondContact O-N 3.37Å; P723-E769 HydrophobicContact CG-CB 4.2Å; P723-E769 HydrophobicContact CG-CG 4.34Å; P723-K772 HydrophobicContact CG-CB 4.37Å; P723-L776 HydrophobicContact CB-CD1 4.11Å |
| 724 | Q | 91.8 | Very high | 91.8 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.2 | -31.4 | 178.2 | -66.4 | 168.2 | -50.6 | 0 | 0 | 111.8 | P683 V684 V720 R721 L722 A728 | P683-Q724 VanDerWaalsContact CG-NE2 3.33Å; V684-Q724 HydrophobicContact CG2-CB 3.72Å; V684-Q724 HydrophobicContact CG2-CG 3.95Å; V720-Q724 HydrophobicContact CG1-CB 4.06Å; R721-Q724 WeakPolarHBondContact O-CB 3.3Å; R721-Q724 PolarHBondContact O-N 2.95Å; L722-Q724 PolarHBondContact O-N 3.33Å; Q724-A728 PolarHBondContact O-N 3.25Å |
| 725 | L | 92.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.2 | -32.4 | 171.6 | -174.1 | 57.6 | 0 | 0 | 0 | 112.3 | V720 R721 L722 P723 A728 M732 F758 | V720-L725 HydrophobicContact CG1-CB 3.8Å; R721-L725 PolarHBondContact O-N 3.43Å; R721-L725 VanDerWaalsContact O-N 3.16Å; L722-L725 HydrophobicContact CD1-CD2 4.5Å; L722-L725 PolarHBondContact O-N 3.33Å; P723-L725 VanDerWaalsContact C-N 3.29Å; P723-L725 PolarHBondContact O-N 3.46Å; L725-A728 CarbonylContact O-C 3.57Å; L725-A728 PolarHBondContact O-N 3.16Å; L725-M732 HydrophobicContact CD1-CE 4.37Å; L725-M732 HydrophobicContact CD2-CE 3.78Å; L725-M732 HydrophobicContact CG-CE 3.98Å; L725-F758 HydrophobicContact CD1-CD1 4.28Å; L725-F758 HydrophobicContact CD1-CD2 4.38Å; L725-F758 HydrophobicContact CD1-CE1 3.82Å; L725-F758 HydrophobicContact CD1-CE2 3.9Å; L725-F758 HydrophobicContact CD1-CZ 3.6Å; L725-F758 HydrophobicContact CD2-CB 4Å; L725-F758 HydrophobicContact CD2-CD1 3.61Å; L725-F758 HydrophobicContact CD2-CD2 4.1Å; L725-F758 HydrophobicContact CD2-CE1 4Å; L725-F758 HydrophobicContact CD2-CE2 4.43Å; L725-F758 HydrophobicContact CD2-CG 3.66Å; L725-F758 HydrophobicContact CD2-CZ 4.39Å |
| 726 | A | 91.8 | Very high | 91.7 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.4 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L722 P723 A728 W729 A773 L776 I777 | L722-A726 PolarHBondContact O-N 2.99Å; P723-A726 WeakPolarHBondContact O-CA 3.42Å; P723-A726 WeakPolarHBondContact O-CB 3.28Å; P723-A726 PolarHBondContact O-N 3.18Å; A726-A728 VanDerWaalsContact C-N 3.26Å; A726-A728 PolarHBondContact O-N 2.93Å; A726-W729 PolarHBondContact O-N 3.39Å; A726-A773 HydrophobicContact CB-CB 3.9Å; A726-L776 HydrophobicContact CB-CB 4.24Å; A726-L776 HydrophobicContact CB-CD1 4.36Å; A726-I777 HydrophobicContact CB-CD1 4.3Å; A726-I777 HydrophobicContact CB-CG1 4.14Å |
| 727 | E | 91.2 | Very high | 91.7 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.9 | -38 | 169.4 | -69.1 | 169.1 | -126.2 | 0 | 0 | 111.5 | V684 P723 W729 L776 | V684-E727 HydrophobicContact CG1-CB 3.86Å; V684-E727 HydrophobicContact CG2-CB 4.43Å; P723-E727 PolarHBondContact O-N 3.37Å; E727-W729 VanDerWaalsContact C-N 3.27Å; E727-W729 PolarHBondContact O-N 3.3Å; E727-L776 HydrophobicContact CG-CD1 4.05Å; E727-L776 HydrophobicContact CG-CD2 4.29Å |
| 728 | A | 91.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 35.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | L687 Q724 L725 A726 D730 L731 | L687-A728 HydrophobicContact CB-CB 3.83Å; L687-A728 HydrophobicContact CD1-CB 3.98Å; Q724-A728 PolarHBondContact O-N 3.25Å; L725-A728 CarbonylContact O-C 3.57Å; L725-A728 PolarHBondContact O-N 3.16Å; A726-A728 VanDerWaalsContact C-N 3.26Å; A726-A728 PolarHBondContact O-N 2.93Å; A728-D730 PolarHBondContact O-N 2.94Å; A728-L731 WeakPolarHBondContact O-CB 3.26Å; A728-L731 PolarHBondContact O-N 3.47Å |
| 729 | W | 89.8 | Confident | 92 | Very high | 89 Ų | 89 | 45.2 Ų | 45.2 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -46.5 | -36.6 | -178.5 | 72.4 | -79.9 | 0 | 0 | 0 | 114.4 | A726 E727 L731 M732 D733 H780 | A726-W729 PolarHBondContact O-N 3.39Å; E727-W729 VanDerWaalsContact C-N 3.27Å; E727-W729 PolarHBondContact O-N 3.3Å; W729-L731 VanDerWaalsContact C-N 3.25Å; W729-L731 PolarHBondContact O-N 2.88Å; W729-M732 VanDerWaalsContact O-CB 3.31Å; W729-M732 WeakPolarHBondContact O-CB 3.47Å; W729-M732 PolarHBondContact O-N 3.4Å; W729-M732 VanDerWaalsContact O-N 3.08Å; W729-D733 PolarHBondContact O-N 2.96Å; W729-D733 VanDerWaalsContact O-N 3.13Å; W729-H780 AromaticContact CD1-CD2 3.95Å; W729-H780 AromaticContact CD2-CE1 3.74Å; W729-H780 AromaticContact CD2-ND1 3.73Å; W729-H780 AromaticContact CE2-CD2 3.98Å; W729-H780 AromaticContact CE2-CE1 3.15Å; W729-H780 AromaticContact CE2-ND1 3.62Å; W729-H780 AromaticContact CE2-NE2 3.39Å; W729-H780 AromaticContact CH2-CE1 3.64Å; W729-H780 AromaticContact CZ2-CE1 3.12Å; W729-H780 WeakPolarHBondContact CZ2-CE1 3.36Å; W729-H780 AromaticContact CZ2-ND1 3.95Å; W729-H780 AromaticContact CZ2-NE2 3.52Å; W729-H780 AromaticContact NE1-CD2 3.53Å; W729-H780 AromaticContact NE1-CE1 3.51Å; W729-H780 AromaticContact NE1-CG 3.92Å; W729-H780 AromaticContact NE1-ND1 3.89Å; W729-H780 AromaticContact NE1-NE2 3.26Å; W729-H780 PolarHBondContact NE1-NE2 2.87Å |
| 730 | D | 91.5 | Very high | 92.2 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.6 | -31.6 | -178.3 | -159.8 | -1.5 | 0 | 0 | 0 | 112 | K695 A728 C734 | K695-D730 IonicContact NZ-OD1 2.65Å; K695-D730 PolarHBondContact NZ-OD1 3.14Å; K695-D730 IonicContact NZ-OD2 3.28Å; K695-D730 PolarHBondContact NZ-OD2 3.25Å; A728-D730 PolarHBondContact O-N 2.94Å; D730-C734 WeakPolarHBondContact O-CB 3.49Å; D730-C734 PolarHBondContact O-N 3.18Å |
| 731 | L | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.5 | -40 | 173.1 | 179 | 61.6 | 0 | 0 | 0 | 112.1 | L687 C691 V715 A728 W729 D733 C734 I735 | L687-L731 HydrophobicContact CB-CD2 3.84Å; L687-L731 HydrophobicContact CD2-CD2 3.52Å; L687-L731 HydrophobicContact CG-CD2 4.23Å; C691-L731 HydrophobicContact CB-CB 3.96Å; C691-L731 HydrophobicContact CB-CD1 3.91Å; C691-L731 HydrophobicContact CB-CG 4.45Å; V715-L731 HydrophobicContact CG1-CD2 4.02Å; V715-L731 HydrophobicContact CG2-CD1 4.36Å; V715-L731 HydrophobicContact CG2-CD2 4.07Å; A728-L731 WeakPolarHBondContact O-CB 3.26Å; A728-L731 PolarHBondContact O-N 3.47Å; W729-L731 VanDerWaalsContact C-N 3.25Å; W729-L731 PolarHBondContact O-N 2.88Å; L731-D733 VanDerWaalsContact C-N 3.3Å; L731-D733 PolarHBondContact O-N 3.04Å; L731-C734 WeakPolarHBondContact O-CB 3.27Å; L731-C734 PolarHBondContact O-N 2.82Å; L731-I735 HydrophobicContact CD1-CD1 3.87Å; L731-I735 HydrophobicContact CD1-CG1 4.32Å; L731-I735 HydrophobicContact CG-CD1 3.91Å; L731-I735 WeakPolarHBondContact O-CG1 3.43Å; L731-I735 PolarHBondContact O-N 3.06Å |
| 732 | M | 90.3 | Very high | 92.5 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 19% | 0.192 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 176.2 | 179.8 | 65.3 | 69.2 | 0 | 0 | 110.3 | L725 W729 I735 K736 F755 F758 | L725-M732 HydrophobicContact CD1-CE 4.37Å; L725-M732 HydrophobicContact CD2-CE 3.78Å; L725-M732 HydrophobicContact CG-CE 3.98Å; W729-M732 VanDerWaalsContact O-CB 3.31Å; W729-M732 WeakPolarHBondContact O-CB 3.47Å; W729-M732 PolarHBondContact O-N 3.4Å; W729-M732 VanDerWaalsContact O-N 3.08Å; M732-I735 PolarHBondContact O-N 3.14Å; M732-K736 WeakPolarHBondContact O-CG 3.27Å; M732-K736 PolarHBondContact O-N 3.01Å; M732-F755 HydrophobicContact SD-CD2 4.44Å; M732-F755 HydrophobicContact SD-CE2 4.31Å; M732-F758 HydrophobicContact CE-CB 4.07Å; M732-F758 HydrophobicContact CE-CD2 3.43Å; M732-F758 VanDerWaalsContact CE-CD2 3.43Å; M732-F758 HydrophobicContact CE-CE2 4.05Å; M732-F758 HydrophobicContact CE-CG 4.03Å; M732-F758 HydrophobicContact SD-CD2 3.75Å; M732-F758 HydrophobicContact SD-CE2 4.31Å |
| 733 | D | 90.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 57 Ų | 57 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.7 | -33.8 | 177.3 | -96.3 | 27.5 | 0 | 0 | 0 | 113.4 | W729 L731 I735 K736 K737 | W729-D733 PolarHBondContact O-N 2.96Å; W729-D733 VanDerWaalsContact O-N 3.13Å; L731-D733 VanDerWaalsContact C-N 3.3Å; L731-D733 PolarHBondContact O-N 3.04Å; D733-I735 VanDerWaalsContact C-N 3.34Å; D733-K736 PolarHBondContact O-N 2.98Å; D733-K736 WeakPolarHBondContact OD1-CD 3.27Å; D733-K736 WeakPolarHBondContact OD1-CE 3.36Å; D733-K736 IonicContact OD1-NZ 2.69Å; D733-K736 PolarHBondContact OD1-NZ 2.88Å; D733-K737 VanDerWaalsContact O-CD 3.29Å; D733-K737 WeakPolarHBondContact O-CD 3.23Å; D733-K737 VanDerWaalsContact O-CG 3.24Å; D733-K737 WeakPolarHBondContact O-CG 3.48Å; D733-K737 PolarHBondContact O-N 3.17Å; D733-K737 VanDerWaalsContact O-N 3.09Å |
| 734 | C | 94.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 8% | 0.081 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 168.7 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | D730 L731 K737 C738 | D730-C734 WeakPolarHBondContact O-CB 3.49Å; D730-C734 PolarHBondContact O-N 3.18Å; L731-C734 WeakPolarHBondContact O-CB 3.27Å; L731-C734 PolarHBondContact O-N 2.82Å; C734-K737 WeakPolarHBondContact O-CB 3.12Å; C734-K737 PolarHBondContact O-N 3.09Å; C734-K737 VanDerWaalsContact O-N 3.17Å; C734-C738 PolarHBondContact O-N 3.01Å; C734-C738 PolarHBondContact O-SG 2.82Å |
| 735 | I | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 179.6 | -71.9 | 163.5 | 0 | 0 | 0 | 111.8 | L712 V715 L731 M732 D733 K737 C738 R739 A751 T754 F755 F758 | L712-I735 HydrophobicContact CD2-CD1 4.31Å; L712-I735 HydrophobicContact CD2-CG1 3.88Å; V715-I735 HydrophobicContact CG1-CD1 4.28Å; L731-I735 HydrophobicContact CD1-CD1 3.87Å; L731-I735 HydrophobicContact CD1-CG1 4.32Å; L731-I735 HydrophobicContact CG-CD1 3.91Å; L731-I735 WeakPolarHBondContact O-CG1 3.43Å; L731-I735 PolarHBondContact O-N 3.06Å; M732-I735 PolarHBondContact O-N 3.14Å; D733-I735 VanDerWaalsContact C-N 3.34Å; I735-K737 PolarHBondContact O-N 3.49Å; I735-C738 PolarHBondContact O-N 3.33Å; I735-C738 VanDerWaalsContact O-N 3.15Å; I735-R739 WeakPolarHBondContact O-CG 3.47Å; I735-R739 PolarHBondContact O-N 2.9Å; I735-A751 HydrophobicContact CG2-CB 4.43Å; I735-T754 HydrophobicContact CD1-CG2 3.74Å; I735-F755 HydrophobicContact CG2-CB 4.13Å; I735-F755 HydrophobicContact CG2-CD2 4.5Å; I735-F758 HydrophobicContact CD1-CE2 3.51Å; I735-F758 HydrophobicContact CD1-CZ 3.83Å |
| 736 | K | 93.3 | Very high | 93.2 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.5 | -35.9 | 170 | -72.1 | 176.7 | -164.7 | 161.2 | 0 | 112.2 | M732 D733 F755 | M732-K736 WeakPolarHBondContact O-CG 3.27Å; M732-K736 PolarHBondContact O-N 3.01Å; D733-K736 PolarHBondContact O-N 2.98Å; D733-K736 WeakPolarHBondContact OD1-CD 3.27Å; D733-K736 WeakPolarHBondContact OD1-CE 3.36Å; D733-K736 IonicContact OD1-NZ 2.69Å; D733-K736 PolarHBondContact OD1-NZ 2.88Å; K736-F755 HydrophobicContact CG-CE2 4.26Å |
| 737 | K | 93.8 | Very high | 93.4 | Very high | 139 Ų | 139 | 62.9 Ų | 62.9 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -74.6 | -43.7 | 175.5 | -68 | 158.7 | -170.1 | 163.1 | 0 | 111 | D733 C734 I735 R739 R740 Y741 | D733-K737 VanDerWaalsContact O-CD 3.29Å; D733-K737 WeakPolarHBondContact O-CD 3.23Å; D733-K737 VanDerWaalsContact O-CG 3.24Å; D733-K737 WeakPolarHBondContact O-CG 3.48Å; D733-K737 PolarHBondContact O-N 3.17Å; D733-K737 VanDerWaalsContact O-N 3.09Å; C734-K737 WeakPolarHBondContact O-CB 3.12Å; C734-K737 PolarHBondContact O-N 3.09Å; C734-K737 VanDerWaalsContact O-N 3.17Å; I735-K737 PolarHBondContact O-N 3.49Å; K737-R739 VanDerWaalsContact C-N 3.32Å; K737-R739 PolarHBondContact O-N 2.94Å; K737-R740 PolarHBondContact O-N 3.07Å; K737-Y741 PolarHBondContact O-N 3.49Å |
| 738 | C | 95.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -35.4 | 177.7 | -65.6 | 0 | 0 | 0 | 0 | 113.4 | C734 I735 R740 Y741 A751 | C734-C738 PolarHBondContact O-N 3.01Å; C734-C738 PolarHBondContact O-SG 2.82Å; I735-C738 PolarHBondContact O-N 3.33Å; I735-C738 VanDerWaalsContact O-N 3.15Å; C738-R740 PolarHBondContact O-N 2.71Å; C738-Y741 WeakPolarHBondContact O-CB 3.31Å; C738-Y741 PolarHBondContact O-N 3.19Å; C738-A751 HydrophobicContact CB-CB 3.47Å; C738-A751 VanDerWaalsContact CB-CB 3.47Å |
| 739 | R | 96.3 | Very high | 94 | Very high | 81 Ų | 81 | 68.7 Ų | 68.7 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.2 | 171.9 | -72.4 | 176.1 | 70.3 | -155.2 | -2.1 | 114.6 | I735 K737 R748 A751 Q752 F755 | I735-R739 WeakPolarHBondContact O-CG 3.47Å; I735-R739 PolarHBondContact O-N 2.9Å; K737-R739 VanDerWaalsContact C-N 3.32Å; K737-R739 PolarHBondContact O-N 2.94Å; R739-R748 WeakPolarHBondContact O-CG 3.45Å; R739-A751 HydrophobicContact CG-CB 4.12Å; R739-Q752 VanDerWaalsContact CZ-OE1 3.26Å; R739-F755 VanDerWaalsContact NH1-CD1 3.3Å; R739-F755 VanDerWaalsContact NH1-CZ 3.3Å |
| 740 | R | 92.9 | Very high | 94.3 | Very high | 200 Ų | 200 | 64.9 Ų | 64.9 | 76% | 0.755 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 11 | 176.3 | -69.2 | -176.5 | -100.9 | -128.3 | 5.4 | 112.9 | K737 C738 | K737-R740 PolarHBondContact O-N 3.07Å; C738-R740 PolarHBondContact O-N 2.71Å |
| 741 | Y | 93.8 | Very high | 94.6 | Very high | 38 Ų | 38 | 62.4 Ų | 62.4 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | trans | -66.3 | 136 | -178.7 | -166.1 | -107.7 | 0 | 0 | 0 | 111.9 | L698 E703 F705 K737 C738 L743 V747 R748 | L698-Y741 HydrophobicContact CD2-CE1 4.07Å; L698-Y741 HydrophobicContact CD2-CE2 4.38Å; E703-Y741 WeakPolarHBondContact CG-OH 3.43Å; F705-Y741 HydrophobicContact CD1-CE1 4.23Å; F705-Y741 AromaticContact CE1-CE1 3.8Å; F705-Y741 HydrophobicContact CE1-CE1 3.8Å; K737-Y741 PolarHBondContact O-N 3.49Å; C738-Y741 WeakPolarHBondContact O-CB 3.31Å; C738-Y741 PolarHBondContact O-N 3.19Å; Y741-L743 HydrophobicContact CD1-CB 4.5Å; Y741-L743 HydrophobicContact CE1-CB 3.75Å; Y741-V747 HydrophobicContact CD1-CB 4.31Å; Y741-V747 HydrophobicContact CD1-CG1 4.13Å; Y741-R748 VanDerWaalsContact O-CZ 3.29Å; Y741-R748 PolarHBondContact O-NE 3.04Å; Y741-R748 PolarHBondContact O-NH2 2.89Å | ||
| 742 | K | 92.5 | Very high | 94.7 | Very high | 181 Ų | 181 | 65.2 Ų | 65.2 | 79% | 0.787 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -97.5 | -32.2 | -167.9 | -69.3 | -177.6 | -179.6 | 175.2 | 0 | 114.5 | ||
| 743 | L | 92.6 | Very high | 95 | Very high | 107 Ų | 107 | 65.8 Ų | 65.8 | 56% | 0.56 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -77.1 | -35.9 | -168.5 | -77.5 | 66 | 0 | 0 | 0 | 112.9 | E703 F705 Y741 | E703-L743 HydrophobicContact CG-CD2 4.11Å; E703-L743 VanDerWaalsContact OE1-CD2 3.22Å; E703-L743 WeakPolarHBondContact OE1-CD2 3.34Å; F705-L743 HydrophobicContact CE1-CB 4Å; F705-L743 HydrophobicContact CZ-CB 3.85Å; F705-L743 HydrophobicContact CZ-CD2 4.43Å; Y741-L743 HydrophobicContact CD1-CB 4.5Å; Y741-L743 HydrophobicContact CE1-CB 3.75Å |
| 744 | S | 95 | Very high | 95.3 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | trans | -119.8 | 138.3 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | E746 V747 R748 | S744-E746 PolarHBondContact OG-N 2.9Å; S744-E746 VanDerWaalsContact OG-N 3.16Å; S744-V747 PolarHBondContact OG-N 3.39Å; S744-R748 PolarHBondContact O-NH2 3.18Å | ||
| 745 | S | 95.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 64.9 Ų | 64.9 | 43% | 0.427 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -77.1 | -38.9 | 166.7 | 40.4 | 0 | 0 | 0 | 0 | 111.7 | V747 R748 E749 | S745-V747 PolarHBondContact O-N 3.11Å; S745-R748 CarbonylContact O-C 3.58Å; S745-R748 WeakPolarHBondContact O-CA 3.46Å; S745-R748 VanDerWaalsContact O-CB 3.27Å; S745-R748 WeakPolarHBondContact O-CB 3.33Å; S745-R748 PolarHBondContact O-N 3.36Å; S745-E749 WeakPolarHBondContact O-CG 3.22Å; S745-E749 PolarHBondContact O-N 3.26Å |
| 746 | E | 95.9 | Very high | 95.3 | Very high | 115 Ų | 115 | 70 Ų | 70 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | -177.6 | -59.3 | 171.6 | -179.9 | 0 | 0 | 111.4 | V709 S744 R748 E749 A750 | V709-E746 HydrophobicContact CG2-CB 3.9Å; S744-E746 PolarHBondContact OG-N 2.9Å; S744-E746 VanDerWaalsContact OG-N 3.16Å; E746-R748 PolarHBondContact O-N 2.97Å; E746-E749 PolarHBondContact O-N 2.97Å; E746-A750 VanDerWaalsContact O-CB 3.25Å; E746-A750 WeakPolarHBondContact O-CB 3.25Å; E746-A750 PolarHBondContact O-N 3.39Å |
| 747 | V | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -36.3 | 173.6 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | L698 F705 A708 V709 L712 Y741 S744 S745 A751 | L698-V747 HydrophobicContact CD1-CG1 4.12Å; L698-V747 HydrophobicContact CD2-CG1 4.17Å; L698-V747 HydrophobicContact CD2-CG2 4.34Å; F705-V747 HydrophobicContact CB-CG2 4.05Å; F705-V747 HydrophobicContact CD1-CG2 4.16Å; A708-V747 HydrophobicContact CB-CG2 3.95Å; V709-V747 HydrophobicContact CG2-CG2 3.99Å; L712-V747 HydrophobicContact CD1-CG1 4.19Å; Y741-V747 HydrophobicContact CD1-CB 4.31Å; Y741-V747 HydrophobicContact CD1-CG1 4.13Å; S744-V747 PolarHBondContact OG-N 3.39Å; S745-V747 PolarHBondContact O-N 3.11Å; V747-A751 WeakPolarHBondContact O-CB 3.37Å; V747-A751 PolarHBondContact O-N 3.16Å |
| 748 | R | 96.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 63.5 Ų | 63.5 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.5 | -41 | 179.8 | -162.2 | -167.8 | -54.9 | 125.6 | 12.8 | 111.9 | R739 Y741 S744 S745 E746 Q752 | R739-R748 WeakPolarHBondContact O-CG 3.45Å; Y741-R748 VanDerWaalsContact O-CZ 3.29Å; Y741-R748 PolarHBondContact O-NE 3.04Å; Y741-R748 PolarHBondContact O-NH2 2.89Å; S744-R748 PolarHBondContact O-NH2 3.18Å; S745-R748 CarbonylContact O-C 3.58Å; S745-R748 WeakPolarHBondContact O-CA 3.46Å; S745-R748 VanDerWaalsContact O-CB 3.27Å; S745-R748 WeakPolarHBondContact O-CB 3.33Å; S745-R748 PolarHBondContact O-N 3.36Å; E746-R748 PolarHBondContact O-N 2.97Å; R748-Q752 VanDerWaalsContact O-CB 3.32Å; R748-Q752 WeakPolarHBondContact O-CB 3.33Å; R748-Q752 PolarHBondContact O-N 2.74Å |
| 749 | E | 96.8 | Very high | 95.2 | Very high | 128 Ų | 128 | 67.3 Ų | 67.3 | 60% | 0.598 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72.9 | -43.7 | 178.7 | -72.9 | 173.4 | -159.9 | 0 | 0 | 111.2 | S745 E746 A751 Q752 T753 | S745-E749 WeakPolarHBondContact O-CG 3.22Å; S745-E749 PolarHBondContact O-N 3.26Å; E746-E749 PolarHBondContact O-N 2.97Å; E749-A751 PolarHBondContact O-N 3.22Å; E749-Q752 PolarHBondContact O-N 2.87Å; E749-Q752 VanDerWaalsContact O-N 3.14Å; E749-T753 WeakPolarHBondContact O-CG2 3.39Å; E749-T753 PolarHBondContact O-N 3.14Å; E749-T753 PolarHBondContact O-OG1 3.1Å |
| 750 | A | 97 | Very high | 94.9 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.6 | -49.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V709 L712 E746 Q752 T753 T754 | V709-A750 HydrophobicContact CG1-CB 4.31Å; V709-A750 HydrophobicContact CG2-CB 4.26Å; L712-A750 HydrophobicContact CB-CB 3.93Å; L712-A750 HydrophobicContact CD1-CB 3.79Å; L712-A750 HydrophobicContact CG-CB 4.5Å; E746-A750 VanDerWaalsContact O-CB 3.25Å; E746-A750 WeakPolarHBondContact O-CB 3.25Å; E746-A750 PolarHBondContact O-N 3.39Å; A750-Q752 VanDerWaalsContact C-N 3.31Å; A750-Q752 PolarHBondContact O-N 3.05Å; A750-T753 PolarHBondContact O-N 3.33Å; A750-T753 PolarHBondContact O-OG1 3.36Å; A750-T754 PolarHBondContact O-N 3.29Å; A750-T754 PolarHBondContact O-OG1 3Å; A750-T754 VanDerWaalsContact O-OG1 3.05Å |
| 751 | A | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -33.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L712 I735 C738 R739 V747 E749 F755 | L712-A751 HydrophobicContact CD1-CB 4.1Å; L712-A751 HydrophobicContact CD2-CB 4.26Å; I735-A751 HydrophobicContact CG2-CB 4.43Å; C738-A751 HydrophobicContact CB-CB 3.47Å; C738-A751 VanDerWaalsContact CB-CB 3.47Å; R739-A751 HydrophobicContact CG-CB 4.12Å; V747-A751 WeakPolarHBondContact O-CB 3.37Å; V747-A751 PolarHBondContact O-N 3.16Å; E749-A751 PolarHBondContact O-N 3.22Å; A751-F755 WeakPolarHBondContact O-CB 3.4Å; A751-F755 PolarHBondContact O-N 3.28Å |
| 752 | Q | 96.9 | Very high | 94.6 | Very high | 59 Ų | 59 | 59 Ų | 59 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.1 | -36.6 | 175.3 | -177.8 | 55.2 | 75.9 | 0 | 0 | 112.1 | R739 R748 E749 A750 Q756 | R739-Q752 VanDerWaalsContact CZ-OE1 3.26Å; R748-Q752 VanDerWaalsContact O-CB 3.32Å; R748-Q752 WeakPolarHBondContact O-CB 3.33Å; R748-Q752 PolarHBondContact O-N 2.74Å; E749-Q752 PolarHBondContact O-N 2.87Å; E749-Q752 VanDerWaalsContact O-N 3.14Å; A750-Q752 VanDerWaalsContact C-N 3.31Å; A750-Q752 PolarHBondContact O-N 3.05Å; Q752-Q756 WeakPolarHBondContact O-CG 3.25Å; Q752-Q756 PolarHBondContact O-N 2.92Å; Q752-Q756 VanDerWaalsContact O-N 3.1Å |
| 753 | T | 96.8 | Very high | 94.5 | Very high | 50 Ų | 50 | 54.8 Ų | 54.8 | 31% | 0.307 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.6 | -38.1 | 173.4 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | R716 E749 A750 F755 Q756 F757 | R716-T753 PolarHBondContact NH1-OG1 3.36Å; E749-T753 WeakPolarHBondContact O-CG2 3.39Å; E749-T753 PolarHBondContact O-N 3.14Å; E749-T753 PolarHBondContact O-OG1 3.1Å; A750-T753 PolarHBondContact O-N 3.33Å; A750-T753 PolarHBondContact O-OG1 3.36Å; T753-F755 VanDerWaalsContact C-N 3.33Å; T753-F755 PolarHBondContact O-N 2.59Å; T753-Q756 PolarHBondContact O-N 3.39Å; T753-F757 PolarHBondContact O-N 3.45Å |
| 754 | T | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 174.1 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | L712 V715 R716 I735 A750 F757 F758 | L712-T754 PolarHBondContact O-OG1 3.47Å; L712-T754 VanDerWaalsContact O-OG1 3.07Å; V715-T754 HydrophobicContact CB-CG2 4.31Å; V715-T754 HydrophobicContact CG1-CG2 3.67Å; R716-T754 WeakPolarHBondContact CD-OG1 3.39Å; R716-T754 HydrophobicContact CG-CG2 3.83Å; R716-T754 WeakPolarHBondContact CG-OG1 3.4Å; I735-T754 HydrophobicContact CD1-CG2 3.74Å; A750-T754 PolarHBondContact O-N 3.29Å; A750-T754 PolarHBondContact O-OG1 3Å; A750-T754 VanDerWaalsContact O-OG1 3.05Å; T754-F757 WeakPolarHBondContact O-CB 3.34Å; T754-F757 PolarHBondContact O-N 2.61Å; T754-F758 HydrophobicContact CG2-CE1 4.15Å; T754-F758 HydrophobicContact CG2-CE2 4.29Å; T754-F758 HydrophobicContact CG2-CZ 3.93Å; T754-F758 WeakPolarHBondContact O-CG 3.5Å; T754-F758 PolarHBondContact O-N 3.18Å |
| 755 | F | 95.5 | Very high | 93.8 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -38.2 | 172.9 | -172.2 | -91.8 | 0 | 0 | 0 | 113 | M732 I735 K736 R739 A751 T753 F758 Q759 | M732-F755 HydrophobicContact SD-CD2 4.44Å; M732-F755 HydrophobicContact SD-CE2 4.31Å; I735-F755 HydrophobicContact CG2-CB 4.13Å; I735-F755 HydrophobicContact CG2-CD2 4.5Å; K736-F755 HydrophobicContact CG-CE2 4.26Å; R739-F755 VanDerWaalsContact NH1-CD1 3.3Å; R739-F755 VanDerWaalsContact NH1-CZ 3.3Å; A751-F755 WeakPolarHBondContact O-CB 3.4Å; A751-F755 PolarHBondContact O-N 3.28Å; T753-F755 VanDerWaalsContact C-N 3.33Å; T753-F755 PolarHBondContact O-N 2.59Å; F755-F758 PolarHBondContact O-N 2.89Å; F755-Q759 HydrophobicContact CD1-CG 4.09Å; F755-Q759 VanDerWaalsContact CE1-CD 3.4Å; F755-Q759 HydrophobicContact CE1-CG 3.8Å; F755-Q759 HydrophobicContact CZ-CG 4.42Å; F755-Q759 WeakPolarHBondContact O-CG 3.41Å; F755-Q759 PolarHBondContact O-N 3.39Å |
| 756 | Q | 94.6 | Very high | 93.6 | Very high | 107 Ų | 107 | 56.9 Ų | 56.9 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 173.8 | -78.1 | 170.7 | -18.6 | 0 | 0 | 112.2 | Q752 T753 Q759 S760 | Q752-Q756 WeakPolarHBondContact O-CG 3.25Å; Q752-Q756 PolarHBondContact O-N 2.92Å; Q752-Q756 VanDerWaalsContact O-N 3.1Å; T753-Q756 PolarHBondContact O-N 3.39Å; Q756-Q759 PolarHBondContact O-N 2.84Å; Q756-S760 PolarHBondContact O-N 3.36Å |
| 757 | F | 93.9 | Very high | 93.3 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 171.2 | 169.9 | -115.4 | 0 | 0 | 0 | 111.2 | R716 T753 T754 Q759 S760 L761 | R716-F757 HydrophobicContact CB-CD1 4.4Å; R716-F757 HydrophobicContact CG-CB 4.41Å; R716-F757 HydrophobicContact CG-CD1 4.1Å; R716-F757 HydrophobicContact CG-CG 4.42Å; T753-F757 PolarHBondContact O-N 3.45Å; T754-F757 WeakPolarHBondContact O-CB 3.34Å; T754-F757 PolarHBondContact O-N 2.61Å; F757-Q759 PolarHBondContact O-N 3.28Å; F757-S760 PolarHBondContact O-N 3.48Å; F757-S760 PolarHBondContact O-OG 3.49Å; F757-L761 HydrophobicContact CD1-CD1 4.33Å; F757-L761 HydrophobicContact CE1-CD1 3.81Å; F757-L761 HydrophobicContact CE2-CD1 4.29Å; F757-L761 HydrophobicContact CE2-CD2 4.33Å; F757-L761 HydrophobicContact CE2-CG 4.25Å; F757-L761 HydrophobicContact CZ-CD1 3.79Å; F757-L761 HydrophobicContact CZ-CD2 4.39Å; F757-L761 HydrophobicContact CZ-CG 4.24Å; F757-L761 PolarHBondContact O-N 3.41Å |
| 758 | F | 93.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 66.3 Ų | 66.3 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 175.1 | -64.1 | -14 | 0 | 0 | 0 | 113.4 | V715 L725 M732 I735 T754 F755 S760 L761 Q762 | V715-F758 HydrophobicContact CG1-CE1 3.98Å; V715-F758 HydrophobicContact CG1-CZ 3.6Å; L725-F758 HydrophobicContact CD1-CD1 4.28Å; L725-F758 HydrophobicContact CD1-CD2 4.38Å; L725-F758 HydrophobicContact CD1-CE1 3.82Å; L725-F758 HydrophobicContact CD1-CE2 3.9Å; L725-F758 HydrophobicContact CD1-CZ 3.6Å; L725-F758 HydrophobicContact CD2-CB 4Å; L725-F758 HydrophobicContact CD2-CD1 3.61Å; L725-F758 HydrophobicContact CD2-CD2 4.1Å; L725-F758 HydrophobicContact CD2-CE1 4Å; L725-F758 HydrophobicContact CD2-CE2 4.43Å; L725-F758 HydrophobicContact CD2-CG 3.66Å; L725-F758 HydrophobicContact CD2-CZ 4.39Å; M732-F758 HydrophobicContact CE-CB 4.07Å; M732-F758 HydrophobicContact CE-CD2 3.43Å; M732-F758 VanDerWaalsContact CE-CD2 3.43Å; M732-F758 HydrophobicContact CE-CE2 4.05Å; M732-F758 HydrophobicContact CE-CG 4.03Å; M732-F758 HydrophobicContact SD-CD2 3.75Å; M732-F758 HydrophobicContact SD-CE2 4.31Å; I735-F758 HydrophobicContact CD1-CE2 3.51Å; I735-F758 HydrophobicContact CD1-CZ 3.83Å; T754-F758 HydrophobicContact CG2-CE1 4.15Å; T754-F758 HydrophobicContact CG2-CE2 4.29Å; T754-F758 HydrophobicContact CG2-CZ 3.93Å; T754-F758 WeakPolarHBondContact O-CG 3.5Å; T754-F758 PolarHBondContact O-N 3.18Å; F755-F758 PolarHBondContact O-N 2.89Å; F758-S760 VanDerWaalsContact C-N 3.28Å; F758-S760 PolarHBondContact O-N 2.88Å; F758-L761 HydrophobicContact CD1-CD1 4.37Å; F758-L761 PolarHBondContact O-N 3.34Å; F758-Q762 PolarHBondContact O-N 3.03Å |
| 759 | Q | 91.6 | Very high | 92.6 | Very high | 85 Ų | 85 | 63.8 Ų | 63.8 | 40% | 0.397 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 172.4 | -70.2 | -177.4 | -67.8 | 0 | 0 | 112 | F755 Q756 F757 Q762 A763 | F755-Q759 HydrophobicContact CD1-CG 4.09Å; F755-Q759 VanDerWaalsContact CE1-CD 3.4Å; F755-Q759 HydrophobicContact CE1-CG 3.8Å; F755-Q759 HydrophobicContact CZ-CG 4.42Å; F755-Q759 WeakPolarHBondContact O-CG 3.41Å; F755-Q759 PolarHBondContact O-N 3.39Å; Q756-Q759 PolarHBondContact O-N 2.84Å; F757-Q759 PolarHBondContact O-N 3.28Å; Q759-Q762 PolarHBondContact O-N 3.11Å; Q759-A763 WeakPolarHBondContact O-CB 3.31Å; Q759-A763 PolarHBondContact O-N 2.92Å |
| 760 | S | 91 | Very high | 92.3 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.9 | -34.8 | 175.1 | 74 | 0 | 0 | 0 | 0 | 113.3 | Q756 F757 F758 Q762 A763 N764 | Q756-S760 PolarHBondContact O-N 3.36Å; F757-S760 PolarHBondContact O-N 3.48Å; F757-S760 PolarHBondContact O-OG 3.49Å; F758-S760 VanDerWaalsContact C-N 3.28Å; F758-S760 PolarHBondContact O-N 2.88Å; S760-Q762 VanDerWaalsContact C-N 3.33Å; S760-A763 PolarHBondContact O-N 3.42Å; S760-N764 VanDerWaalsContact O-CG 3.22Å; S760-N764 PolarHBondContact O-N 2.98Å; S760-N764 PolarHBondContact O-OD1 3.17Å |
| 761 | L | 90.3 | Very high | 92 | Very high | 24 Ų | 24 | 63.9 Ų | 63.9 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.9 | -32 | 171.5 | -68.1 | 176.7 | 0 | 0 | 0 | 112.6 | F757 F758 N764 T765 | F757-L761 HydrophobicContact CD1-CD1 4.33Å; F757-L761 HydrophobicContact CE1-CD1 3.81Å; F757-L761 HydrophobicContact CE2-CD1 4.29Å; F757-L761 HydrophobicContact CE2-CD2 4.33Å; F757-L761 HydrophobicContact CE2-CG 4.25Å; F757-L761 HydrophobicContact CZ-CD1 3.79Å; F757-L761 HydrophobicContact CZ-CD2 4.39Å; F757-L761 HydrophobicContact CZ-CG 4.24Å; F757-L761 PolarHBondContact O-N 3.41Å; F758-L761 HydrophobicContact CD1-CD1 4.37Å; F758-L761 PolarHBondContact O-N 3.34Å; L761-N764 WeakPolarHBondContact CA-OD1 3.2Å; L761-N764 PolarHBondContact O-OD1 2.9Å; L761-T765 WeakPolarHBondContact O-CB 3.29Å; L761-T765 PolarHBondContact O-N 3.22Å |
| 762 | Q | 89.5 | Confident | 91.7 | Very high | 63 Ų | 63 | 69 Ų | 69 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77.5 | -25.1 | 174.2 | -169.6 | 170.8 | -1.2 | 0 | 0 | 112.6 | L722 F758 Q759 S760 Y1148 | L722-Q762 HydrophobicContact CD1-CB 4.21Å; L722-Q762 HydrophobicContact CD2-CB 4.49Å; L722-Q762 HydrophobicContact CD2-CG 4.12Å; F758-Q762 PolarHBondContact O-N 3.03Å; Q759-Q762 PolarHBondContact O-N 3.11Å; S760-Q762 VanDerWaalsContact C-N 3.33Å; Q762-Y1148 VanDerWaalsContact CD-OH 3.25Å; Q762-Y1148 PolarHBondContact NE2-OH 3.01Å; Q762-Y1148 PolarHBondContact OE1-OH 3.07Å |
| 763 | A | 89.4 | Confident | 91.5 | Very high | 91 Ų | 91 | 66.4 Ų | 66.4 | 75% | 0.752 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -82.8 | -17 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q759 S760 | Q759-A763 WeakPolarHBondContact O-CB 3.31Å; Q759-A763 PolarHBondContact O-N 2.92Å; S760-A763 PolarHBondContact O-N 3.42Å |
| 764 | N | 87.8 | Confident | 91.2 | Very high | 117 Ų | 117 | 68.5 Ų | 68.5 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -112.9 | -4.7 | -176.6 | 73.4 | 6.2 | 0 | 0 | 0 | 115.2 | S760 L761 | S760-N764 VanDerWaalsContact O-CG 3.22Å; S760-N764 PolarHBondContact O-N 2.98Å; S760-N764 PolarHBondContact O-OD1 3.17Å; L761-N764 WeakPolarHBondContact CA-OD1 3.2Å; L761-N764 PolarHBondContact O-OD1 2.9Å |
| 765 | T | 86.5 | Confident | 90.9 | Very high | 27 Ų | 27 | 71.3 Ų | 71.3 | 17% | 0.166 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -73.6 | 162.9 | 178.5 | -169.7 | 0 | 0 | 0 | 0 | 112.4 | L722 L761 E769 L770 | L722-T765 HydrophobicContact CB-CG2 4.4Å; L722-T765 HydrophobicContact CD2-CG2 3.66Å; L761-T765 WeakPolarHBondContact O-CB 3.29Å; L761-T765 PolarHBondContact O-N 3.22Å; T765-E769 WeakPolarHBondContact OG1-CB 3.25Å; T765-E769 PolarHBondContact OG1-OE2 3.4Å; T765-L770 HydrophobicContact CG2-CB 4.12Å; T765-L770 HydrophobicContact CG2-CD1 4.48Å |
| 766 | T | 91 | Very high | 90.7 | Very high | 77 Ų | 77 | 72.9 Ų | 72.9 | 47% | 0.472 | 39% | 0.391 | S | S | . | . | trans | -78.5 | 157.5 | 175.5 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | E768 E769 L770 | T766-E768 PolarHBondContact O-N 2.9Å; T766-E768 PolarHBondContact OG1-N 3Å; T766-E769 PolarHBondContact O-N 2.82Å; T766-E769 PolarHBondContact OG1-N 3.04Å; T766-E769 VanDerWaalsContact OG1-N 3.16Å; T766-L770 WeakPolarHBondContact O-CB 3.44Å; T766-L770 PolarHBondContact O-N 2.63Å | ||
| 767 | K | 88.9 | Confident | 90.4 | Very high | 194 Ų | 194 | 71.4 Ų | 71.4 | 84% | 0.843 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -56.4 | -31.9 | 174.1 | -173.9 | -178.6 | 177.1 | -173.8 | 0 | 112.5 | S771 | K767-S771 WeakPolarHBondContact O-CB 3.34Å; K767-S771 PolarHBondContact O-N 3.08Å; K767-S771 VanDerWaalsContact O-N 3.08Å |
| 768 | E | 89.2 | Confident | 90.2 | Very high | 120 Ų | 120 | 70.5 Ų | 70.5 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -71.9 | -46.1 | 177.6 | -168.1 | -163.3 | 155.9 | 0 | 0 | 111.9 | T766 L770 S771 K772 | T766-E768 PolarHBondContact O-N 2.9Å; T766-E768 PolarHBondContact OG1-N 3Å; E768-L770 VanDerWaalsContact C-N 3.34Å; E768-S771 WeakPolarHBondContact O-CB 3.32Å; E768-S771 PolarHBondContact O-N 3.34Å; E768-K772 WeakPolarHBondContact O-CG 3.39Å; E768-K772 PolarHBondContact O-N 3.2Å; E768-K772 VanDerWaalsContact OE1-CE 3.22Å; E768-K772 WeakPolarHBondContact OE1-CE 3.35Å; E768-K772 IonicContact OE1-NZ 3.91Å; E768-K772 PolarHBondContact OE1-NZ 2.73Å |
| 769 | E | 90.8 | Very high | 89.9 | Confident | 36 Ų | 36 | 73.8 Ų | 73.8 | 17% | 0.168 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 175.1 | -76.9 | -166.1 | 135.9 | 0 | 0 | 112.3 | R721 P723 T765 T766 K772 A773 | R721-E769 WeakPolarHBondContact CD-OE1 3.44Å; R721-E769 IonicContact CZ-OE1 2.66Å; R721-E769 IonicContact NE-OE1 2.59Å; R721-E769 IonicContact NH1-OE1 2.69Å; R721-E769 PolarHBondContact NH1-OE1 2.96Å; P723-E769 HydrophobicContact CG-CB 4.2Å; P723-E769 HydrophobicContact CG-CG 4.34Å; T765-E769 WeakPolarHBondContact OG1-CB 3.25Å; T765-E769 PolarHBondContact OG1-OE2 3.4Å; T766-E769 PolarHBondContact O-N 2.82Å; T766-E769 PolarHBondContact OG1-N 3.04Å; T766-E769 VanDerWaalsContact OG1-N 3.16Å; E769-K772 PolarHBondContact O-N 3.16Å; E769-A773 WeakPolarHBondContact O-CB 3.4Å; E769-A773 PolarHBondContact O-N 3.08Å |
| 770 | L | 90.6 | Very high | 89.7 | Confident | 65 Ų | 65 | 72 Ų | 72 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 173.6 | -167.7 | 157.4 | 0 | 0 | 0 | 111.1 | T765 T766 E768 K772 A773 Q774 | T765-L770 HydrophobicContact CG2-CB 4.12Å; T765-L770 HydrophobicContact CG2-CD1 4.48Å; T766-L770 WeakPolarHBondContact O-CB 3.44Å; T766-L770 PolarHBondContact O-N 2.63Å; E768-L770 VanDerWaalsContact C-N 3.34Å; L770-K772 PolarHBondContact O-N 3.14Å; L770-A773 PolarHBondContact O-N 2.71Å; L770-Q774 WeakPolarHBondContact O-CB 3.5Å; L770-Q774 PolarHBondContact O-N 3.44Å |
| 771 | S | 90.3 | Very high | 89.5 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 51% | 0.51 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 174.7 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | K767 E768 Q774 A775 | K767-S771 WeakPolarHBondContact O-CB 3.34Å; K767-S771 PolarHBondContact O-N 3.08Å; K767-S771 VanDerWaalsContact O-N 3.08Å; E768-S771 WeakPolarHBondContact O-CB 3.32Å; E768-S771 PolarHBondContact O-N 3.34Å; S771-Q774 PolarHBondContact O-N 2.92Å; S771-A775 WeakPolarHBondContact O-CB 3.14Å; S771-A775 PolarHBondContact O-N 3.12Å |
| 772 | K | 91.2 | Very high | 89.4 | Confident | 107 Ų | 107 | 75.7 Ų | 75.7 | 47% | 0.465 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 175.5 | -71.1 | 173.5 | -175.2 | 174.9 | 0 | 112.1 | P723 E768 E769 L770 A775 L776 | P723-K772 HydrophobicContact CG-CB 4.37Å; E768-K772 WeakPolarHBondContact O-CG 3.39Å; E768-K772 PolarHBondContact O-N 3.2Å; E768-K772 VanDerWaalsContact OE1-CE 3.22Å; E768-K772 WeakPolarHBondContact OE1-CE 3.35Å; E768-K772 IonicContact OE1-NZ 3.91Å; E768-K772 PolarHBondContact OE1-NZ 2.73Å; E769-K772 PolarHBondContact O-N 3.16Å; L770-K772 PolarHBondContact O-N 3.14Å; K772-A775 PolarHBondContact O-N 2.96Å; K772-L776 WeakPolarHBondContact O-CG 3.41Å; K772-L776 PolarHBondContact O-N 2.98Å |
| 773 | A | 91.8 | Very high | 89.2 | Confident | 5 Ų | 5 | 80.7 Ų | 80.7 | 4% | 0.041 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L722 A726 E769 L770 L776 I777 | L722-A773 HydrophobicContact CD2-CB 3.88Å; L722-A773 HydrophobicContact CG-CB 3.78Å; A726-A773 HydrophobicContact CB-CB 3.9Å; E769-A773 WeakPolarHBondContact O-CB 3.4Å; E769-A773 PolarHBondContact O-N 3.08Å; L770-A773 PolarHBondContact O-N 2.71Å; A773-L776 PolarHBondContact O-N 3.14Å; A773-I777 WeakPolarHBondContact O-CG1 3.32Å; A773-I777 PolarHBondContact O-N 3Å; A773-I777 VanDerWaalsContact O-N 3.08Å |
| 774 | Q | 91 | Very high | 88.8 | Confident | 95 Ų | 95 | 79.5 Ų | 79.5 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 175.8 | -173.5 | 176.8 | -3.2 | 0 | 0 | 111.9 | L770 S771 L776 I777 A778 | L770-Q774 WeakPolarHBondContact O-CB 3.5Å; L770-Q774 PolarHBondContact O-N 3.44Å; S771-Q774 PolarHBondContact O-N 2.92Å; Q774-L776 PolarHBondContact O-N 3.17Å; Q774-I777 PolarHBondContact O-N 3.4Å; Q774-A778 WeakPolarHBondContact O-CB 3.42Å; Q774-A778 PolarHBondContact O-N 2.74Å |
| 775 | A | 91.3 | Very high | 88.4 | Confident | 59 Ų | 59 | 79 Ų | 79 | 49% | 0.488 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | S771 K772 S779 | S771-A775 WeakPolarHBondContact O-CB 3.14Å; S771-A775 PolarHBondContact O-N 3.12Å; K772-A775 PolarHBondContact O-N 2.96Å; A775-S779 VanDerWaalsContact O-CB 3.27Å; A775-S779 WeakPolarHBondContact O-CB 3.38Å; A775-S779 PolarHBondContact O-N 3.4Å |
| 776 | L | 90.4 | Very high | 88 | Confident | 65 Ų | 65 | 81.5 Ų | 81.5 | 34% | 0.34 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 174 | -73.5 | 162.7 | 0 | 0 | 0 | 111.9 | P723 A726 E727 K772 A773 Q774 S779 H780 | P723-L776 HydrophobicContact CB-CD1 4.11Å; A726-L776 HydrophobicContact CB-CB 4.24Å; A726-L776 HydrophobicContact CB-CD1 4.36Å; E727-L776 HydrophobicContact CG-CD1 4.05Å; E727-L776 HydrophobicContact CG-CD2 4.29Å; K772-L776 WeakPolarHBondContact O-CG 3.41Å; K772-L776 PolarHBondContact O-N 2.98Å; A773-L776 PolarHBondContact O-N 3.14Å; Q774-L776 PolarHBondContact O-N 3.17Å; L776-S779 PolarHBondContact O-N 3.48Å; L776-H780 PolarHBondContact O-N 3.27Å |
| 777 | I | 88.3 | Confident | 87.3 | Confident | 75 Ų | 75 | 82.4 Ų | 82.4 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 177.3 | -67.9 | 164.4 | 0 | 0 | 0 | 111 | A726 A773 Q774 H780 Q781 | A726-I777 HydrophobicContact CB-CD1 4.3Å; A726-I777 HydrophobicContact CB-CG1 4.14Å; A773-I777 WeakPolarHBondContact O-CG1 3.32Å; A773-I777 PolarHBondContact O-N 3Å; A773-I777 VanDerWaalsContact O-N 3.08Å; Q774-I777 PolarHBondContact O-N 3.4Å; I777-H780 PolarHBondContact O-N 3.49Å; I777-Q781 PolarHBondContact O-N 3.12Å |
| 778 | A | 90 | Very high | 86.5 | Confident | 37 Ų | 37 | 78.4 Ų | 78.4 | 31% | 0.306 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q774 H780 Q781 N782 | Q774-A778 WeakPolarHBondContact O-CB 3.42Å; Q774-A778 PolarHBondContact O-N 2.74Å; A778-H780 VanDerWaalsContact C-N 3.28Å; A778-H780 PolarHBondContact O-N 3.47Å; A778-Q781 PolarHBondContact O-N 3.13Å; A778-N782 WeakPolarHBondContact O-CB 3.46Å; A778-N782 VanDerWaalsContact O-CG 3.24Å; A778-N782 PolarHBondContact O-N 2.82Å; A778-N782 PolarHBondContact O-ND2 3.03Å |
| 779 | S | 88.2 | Confident | 85.6 | Confident | 77 Ų | 77 | 77.8 Ų | 77.8 | 54% | 0.538 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.7 | -40.8 | 172.9 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | A775 L776 N782 R783 | A775-S779 VanDerWaalsContact O-CB 3.27Å; A775-S779 WeakPolarHBondContact O-CB 3.38Å; A775-S779 PolarHBondContact O-N 3.4Å; L776-S779 PolarHBondContact O-N 3.48Å; S779-N782 PolarHBondContact O-N 3.08Å; S779-R783 PolarHBondContact O-N 3.27Å |
| 780 | H | 85.8 | Confident | 84.4 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 21% | 0.213 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 175.5 | -165 | -86.2 | 0 | 0 | 0 | 113.1 | W729 L776 I777 A778 N782 R783 I784 | W729-H780 AromaticContact CD1-CD2 3.95Å; W729-H780 AromaticContact CD2-CE1 3.74Å; W729-H780 AromaticContact CD2-ND1 3.73Å; W729-H780 AromaticContact CE2-CD2 3.98Å; W729-H780 AromaticContact CE2-CE1 3.15Å; W729-H780 AromaticContact CE2-ND1 3.62Å; W729-H780 AromaticContact CE2-NE2 3.39Å; W729-H780 AromaticContact CH2-CE1 3.64Å; W729-H780 AromaticContact CZ2-CE1 3.12Å; W729-H780 WeakPolarHBondContact CZ2-CE1 3.36Å; W729-H780 AromaticContact CZ2-ND1 3.95Å; W729-H780 AromaticContact CZ2-NE2 3.52Å; W729-H780 AromaticContact NE1-CD2 3.53Å; W729-H780 AromaticContact NE1-CE1 3.51Å; W729-H780 AromaticContact NE1-CG 3.92Å; W729-H780 AromaticContact NE1-ND1 3.89Å; W729-H780 AromaticContact NE1-NE2 3.26Å; W729-H780 PolarHBondContact NE1-NE2 2.87Å; L776-H780 PolarHBondContact O-N 3.27Å; I777-H780 PolarHBondContact O-N 3.49Å; A778-H780 VanDerWaalsContact C-N 3.28Å; A778-H780 PolarHBondContact O-N 3.47Å; H780-N782 VanDerWaalsContact C-N 3.31Å; H780-N782 PolarHBondContact O-N 2.92Å; H780-R783 PolarHBondContact O-N 3.16Å; H780-I784 WeakPolarHBondContact O-CG1 3.4Å; H780-I784 PolarHBondContact O-N 3.33Å; H780-I784 VanDerWaalsContact O-N 3.08Å |
| 781 | Q | 87.5 | Confident | 83.3 | Confident | 49 Ų | 49 | 79.4 Ų | 79.4 | 23% | 0.229 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 173.3 | -76.1 | 167.7 | -42.9 | 0 | 0 | 110.9 | I777 A778 R783 I784 H785 L1151 G1152 | I777-Q781 PolarHBondContact O-N 3.12Å; A778-Q781 PolarHBondContact O-N 3.13Å; Q781-R783 VanDerWaalsContact C-N 3.35Å; Q781-R783 PolarHBondContact O-N 3.38Å; Q781-I784 PolarHBondContact O-N 2.77Å; Q781-H785 PolarHBondContact O-N 3.43Å; Q781-H785 VanDerWaalsContact O-N 3.17Å; Q781-H785 PolarHBondContact O-ND1 3.42Å; Q781-L1151 PolarHBondContact NE2-O 2.86Å; Q781-G1152 PolarHBondContact NE2-O 2.67Å; Q781-G1152 VanDerWaalsContact NE2-O 3.1Å |
| 782 | N | 87.1 | Confident | 81.5 | Confident | 111 Ų | 111 | 82.4 Ų | 82.4 | 59% | 0.594 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | 177.8 | -69 | -14.3 | 0 | 0 | 0 | 112.6 | A778 S779 H780 I784 H785 S786 | A778-N782 WeakPolarHBondContact O-CB 3.46Å; A778-N782 VanDerWaalsContact O-CG 3.24Å; A778-N782 PolarHBondContact O-N 2.82Å; A778-N782 PolarHBondContact O-ND2 3.03Å; S779-N782 PolarHBondContact O-N 3.08Å; H780-N782 VanDerWaalsContact C-N 3.31Å; H780-N782 PolarHBondContact O-N 2.92Å; N782-I784 PolarHBondContact O-N 3.21Å; N782-H785 PolarHBondContact O-N 3Å; N782-S786 WeakPolarHBondContact O-CB 3.35Å; N782-S786 PolarHBondContact O-N 3.48Å |
| 783 | R | 86.2 | Confident | 79.4 | Confident | 169 Ų | 169 | 82.5 Ų | 82.5 | 64% | 0.638 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.7 | -38.9 | 173.7 | -179.6 | 177.3 | -75.4 | -174.8 | -3.4 | 112.3 | S779 H780 Q781 I787 | S779-R783 PolarHBondContact O-N 3.27Å; H780-R783 PolarHBondContact O-N 3.16Å; Q781-R783 VanDerWaalsContact C-N 3.35Å; Q781-R783 PolarHBondContact O-N 3.38Å; R783-I787 HydrophobicContact CG-CD1 4.01Å; R783-I787 WeakPolarHBondContact O-CD1 3.36Å; R783-I787 VanDerWaalsContact O-CG1 3.3Å; R783-I787 WeakPolarHBondContact O-CG1 3.47Å; R783-I787 PolarHBondContact O-N 2.87Å; R783-I787 VanDerWaalsContact O-N 3.16Å |
| 784 | I | 81.7 | Confident | 77.3 | Confident | 65 Ų | 65 | 88.1 Ų | 88.1 | 33% | 0.333 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 176 | -64.2 | 167.4 | 0 | 0 | 0 | 110.5 | H780 Q781 N782 I787 Q788 | H780-I784 WeakPolarHBondContact O-CG1 3.4Å; H780-I784 PolarHBondContact O-N 3.33Å; H780-I784 VanDerWaalsContact O-N 3.08Å; Q781-I784 PolarHBondContact O-N 2.77Å; N782-I784 PolarHBondContact O-N 3.21Å; I784-I787 PolarHBondContact O-N 2.85Å; I784-Q788 WeakPolarHBondContact O-CG 3.19Å; I784-Q788 PolarHBondContact O-N 3.21Å |
| 785 | H | 78.1 | Confident | 75.4 | Confident | 108 Ų | 108 | 88.6 Ų | 88.6 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | -179.8 | -70.1 | 85.2 | 0 | 0 | 0 | 111.3 | Q781 N782 I787 Q788 D789 | Q781-H785 PolarHBondContact O-N 3.43Å; Q781-H785 VanDerWaalsContact O-N 3.17Å; Q781-H785 PolarHBondContact O-ND1 3.42Å; N782-H785 PolarHBondContact O-N 3Å; H785-I787 VanDerWaalsContact C-N 3.27Å; H785-I787 PolarHBondContact O-N 3.37Å; H785-Q788 WeakPolarHBondContact O-CA 3.28Å; H785-Q788 WeakPolarHBondContact O-CB 3.49Å; H785-Q788 PolarHBondContact O-N 3.47Å; H785-D789 PolarHBondContact O-N 3.11Å |
| 786 | S | 79.2 | Confident | 73.1 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.8 | -36.1 | 178.1 | 175.1 | 0 | 0 | 0 | 0 | 113.4 | N782 S790 | N782-S786 WeakPolarHBondContact O-CB 3.35Å; N782-S786 PolarHBondContact O-N 3.48Å; S786-S790 WeakPolarHBondContact O-CB 3.4Å; S786-S790 PolarHBondContact O-N 2.82Å; S786-S790 VanDerWaalsContact O-N 3.12Å |
| 787 | I | 76.3 | Confident | 70.8 | Confident | 96 Ų | 96 | 93.3 Ų | 93.3 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 173.5 | -68.9 | 166.6 | 0 | 0 | 0 | 110.5 | R783 I784 H785 D789 S790 V791 | R783-I787 HydrophobicContact CG-CD1 4.01Å; R783-I787 WeakPolarHBondContact O-CD1 3.36Å; R783-I787 VanDerWaalsContact O-CG1 3.3Å; R783-I787 WeakPolarHBondContact O-CG1 3.47Å; R783-I787 PolarHBondContact O-N 2.87Å; R783-I787 VanDerWaalsContact O-N 3.16Å; I784-I787 PolarHBondContact O-N 2.85Å; H785-I787 VanDerWaalsContact C-N 3.27Å; H785-I787 PolarHBondContact O-N 3.37Å; I787-D789 PolarHBondContact O-N 3.35Å; I787-S790 PolarHBondContact O-N 2.92Å; I787-S790 PolarHBondContact O-OG 3.27Å; I787-V791 WeakPolarHBondContact O-CG2 3.41Å; I787-V791 PolarHBondContact O-N 2.88Å; I787-V791 VanDerWaalsContact O-N 3.12Å |
| 788 | Q | 70.8 | Confident | 68.3 | Low | 109 Ų | 109 | 95.6 Ų | 95.6 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 178.2 | -70.9 | 175.1 | -23 | 0 | 0 | 112.1 | I784 H785 S790 V791 M792 | I784-Q788 WeakPolarHBondContact O-CG 3.19Å; I784-Q788 PolarHBondContact O-N 3.21Å; H785-Q788 WeakPolarHBondContact O-CA 3.28Å; H785-Q788 WeakPolarHBondContact O-CB 3.49Å; H785-Q788 PolarHBondContact O-N 3.47Å; Q788-S790 PolarHBondContact O-N 2.76Å; Q788-V791 PolarHBondContact O-N 3.29Å; Q788-M792 WeakPolarHBondContact O-CG 3.43Å; Q788-M792 PolarHBondContact O-N 3.32Å; Q788-M792 VanDerWaalsContact O-N 3.08Å |
| 789 | D | 70.9 | Confident | 65.7 | Low | 108 Ų | 108 | 101.6 Ų | 101.6 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.2 | -44.5 | 175.3 | -65.7 | -36.4 | 0 | 0 | 0 | 111.4 | H785 I787 V791 M792 E793 | H785-D789 PolarHBondContact O-N 3.11Å; I787-D789 PolarHBondContact O-N 3.35Å; D789-V791 VanDerWaalsContact C-N 3.3Å; D789-V791 PolarHBondContact O-N 3.03Å; D789-M792 PolarHBondContact O-N 3.35Å; D789-M792 VanDerWaalsContact O-N 3.16Å; D789-E793 PolarHBondContact O-N 3.13Å |
| 790 | S | 65.5 | Low | 63.5 | Low | 51 Ų | 51 | 103.6 Ų | 103.6 | 36% | 0.357 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.7 | -32.3 | 178.9 | 76.7 | 0 | 0 | 0 | 0 | 113.5 | S786 I787 Q788 N794 | S786-S790 WeakPolarHBondContact O-CB 3.4Å; S786-S790 PolarHBondContact O-N 2.82Å; S786-S790 VanDerWaalsContact O-N 3.12Å; I787-S790 PolarHBondContact O-N 2.92Å; I787-S790 PolarHBondContact O-OG 3.27Å; Q788-S790 PolarHBondContact O-N 2.76Å; S790-N794 WeakPolarHBondContact O-CB 3.39Å; S790-N794 VanDerWaalsContact O-CG 3.27Å; S790-N794 PolarHBondContact O-N 2.88Å; S790-N794 PolarHBondContact O-ND2 3.21Å |
| 791 | V | 66.9 | Low | 61.2 | Low | 84 Ų | 84 | 109 Ų | 109 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.4 | -35.6 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | I787 Q788 D789 T795 | I787-V791 WeakPolarHBondContact O-CG2 3.41Å; I787-V791 PolarHBondContact O-N 2.88Å; I787-V791 VanDerWaalsContact O-N 3.12Å; Q788-V791 PolarHBondContact O-N 3.29Å; D789-V791 VanDerWaalsContact C-N 3.3Å; D789-V791 PolarHBondContact O-N 3.03Å; V791-T795 WeakPolarHBondContact O-CG2 3.36Å; V791-T795 PolarHBondContact O-N 3.39Å; V791-T795 PolarHBondContact O-OG1 3.46Å |
| 792 | M | 54.1 | Low | 58.8 | Low | 136 Ų | 136 | 112.7 Ų | 112.7 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.3 | -35.5 | 174.6 | -70.5 | -73.9 | -72.8 | 0 | 0 | 112.7 | Q788 D789 T795 S796 | Q788-M792 WeakPolarHBondContact O-CG 3.43Å; Q788-M792 PolarHBondContact O-N 3.32Å; Q788-M792 VanDerWaalsContact O-N 3.08Å; D789-M792 PolarHBondContact O-N 3.35Å; D789-M792 VanDerWaalsContact O-N 3.16Å; M792-T795 WeakPolarHBondContact CA-OG1 3.44Å; M792-T795 PolarHBondContact O-OG1 3.17Å; M792-S796 PolarHBondContact O-OG 3.03Å |
| 793 | E | 47.3 | Very low | 56.3 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 51% | 0.505 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -77.5 | -30.8 | 179.1 | -150.4 | -173.5 | 162.8 | 0 | 0 | 112.8 | D789 S796 K797 | D789-E793 PolarHBondContact O-N 3.13Å; E793-S796 PolarHBondContact O-OG 3.35Å; E793-K797 WeakPolarHBondContact OE1-CE 3.37Å; E793-K797 IonicContact OE1-NZ 2.57Å; E793-K797 PolarHBondContact OE1-NZ 3Å |
| 794 | N | 47.5 | Very low | 53.7 | Low | 124 Ų | 124 | 109.8 Ų | 109.8 | 66% | 0.663 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.7 | -23.4 | 175.5 | -73.4 | -34.6 | 0 | 0 | 0 | 113.4 | S790 S796 | S790-N794 WeakPolarHBondContact O-CB 3.39Å; S790-N794 VanDerWaalsContact O-CG 3.27Å; S790-N794 PolarHBondContact O-N 2.88Å; S790-N794 PolarHBondContact O-ND2 3.21Å; N794-S796 VanDerWaalsContact C-N 3.33Å |
| 795 | T | 50.1 | Low | 51.9 | Low | 104 Ų | 104 | 112.3 Ų | 112.3 | 64% | 0.638 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 1.2 | 176.8 | 46.4 | 0 | 0 | 0 | 0 | 114 | V791 M792 | V791-T795 WeakPolarHBondContact O-CG2 3.36Å; V791-T795 PolarHBondContact O-N 3.39Å; V791-T795 PolarHBondContact O-OG1 3.46Å; M792-T795 WeakPolarHBondContact CA-OG1 3.44Å; M792-T795 PolarHBondContact O-OG1 3.17Å |
| 796 | S | 44.1 | Very low | 49.9 | Very low | 86 Ų | 86 | 114.2 Ų | 114.2 | 60% | 0.601 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -120.5 | 9.8 | -174.4 | 49.4 | 0 | 0 | 0 | 0 | 115.2 | M792 E793 N794 | M792-S796 PolarHBondContact O-OG 3.03Å; E793-S796 PolarHBondContact O-OG 3.35Å; N794-S796 VanDerWaalsContact C-N 3.33Å |
| 797 | K | 41.2 | Very low | 48.2 | Very low | 138 Ų | 138 | 117 Ų | 117 | 60% | 0.6 | 67% | 0.667 | S | S | * | * | trans | -117.1 | 42.7 | -174.9 | -72.8 | 179 | -179.4 | 168.8 | 0 | 115.2 | E793 | E793-K797 WeakPolarHBondContact OE1-CE 3.37Å; E793-K797 IonicContact OE1-NZ 2.57Å; E793-K797 PolarHBondContact OE1-NZ 3Å | ||
| 798 | T | 36.7 | Very low | 46.4 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | -136.5 | 54.6 | 176 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 799 | D | 35.6 | Very low | 44.9 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -172.4 | 90.4 | 153.9 | -110.4 | -21.3 | 0 | 0 | 0 | 112.9 | ||
| 800 | S | 40.6 | Very low | 43.2 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | trans | 177 | 130.6 | 146.7 | 29.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 801 | L | 37.5 | Very low | 41.9 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | trans | -78.1 | 137.5 | 170.1 | -91.3 | 62.4 | 0 | 0 | 0 | 110.7 | T803 | L801-T803 PolarHBondContact O-N 3.31Š| ||
| 802 | P | 37.2 | Very low | 40.3 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | trans | -78.2 | 110 | 158.2 | 31.3 | -29.7 | 0 | 0 | 0 | 109.4 | S804 | P802-S804 PolarHBondContact O-N 2.88Å; P802-S804 VanDerWaalsContact O-N 3.12Å | ||
| 803 | T | 34 | Very low | 39.4 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | trans | -73.4 | 102 | 171.8 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | L801 | L801-T803 PolarHBondContact O-N 3.31Š| ||
| 804 | S | 33.4 | Very low | 38.8 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | trans | -68 | 144.2 | 166.4 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | P802 | P802-S804 PolarHBondContact O-N 2.88Å; P802-S804 VanDerWaalsContact O-N 3.12Å | ||
| 805 | T | 43.6 | Very low | 38.3 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | -129.1 | 99.7 | 166.4 | 54.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 806 | D | 34.9 | Very low | 37.4 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | -64.7 | 132.6 | 172 | -61.7 | -72.1 | 0 | 0 | 0 | 111 | ||||
| 807 | V | 44.7 | Very low | 37.1 | Very low | 137 Ų | 137 | 140 Ų | 140 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -144 | 118.1 | 154.3 | -169.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 808 | D | 37.6 | Very low | 36.8 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -59.9 | 147.7 | 175 | -65.9 | -102 | 0 | 0 | 0 | 113 | ||||
| 809 | N | 38.9 | Very low | 36.9 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | -153.7 | 153.8 | 118.1 | -136.7 | -25.5 | 0 | 0 | 0 | 113.2 | |||||
| 810 | K | 35.8 | Very low | 37 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | -113.8 | 137.1 | 179.4 | -63.9 | -179.5 | 179.6 | -179.3 | 0 | 111 | ||||
| 811 | Q | 38.2 | Very low | 36.8 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | 176.9 | 160.9 | 143.4 | -98.1 | 160.1 | 37.3 | 0 | 0 | 110.4 | ||||
| 812 | T | 32.2 | Very low | 36.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | cis | 175.3 | 125.4 | -31.7 | -94.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 813 | L | 36.1 | Very low | 36.9 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 62.8 | 167.5 | 169.2 | -55 | 168.2 | 0 | 0 | 0 | 115.2 | ||||
| 814 | Q | 35.6 | Very low | 36.9 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | cis | -161.8 | 145.1 | -22.5 | -118.1 | 170.6 | -15.8 | 0 | 0 | 108.9 | ||||
| 815 | N | 35.3 | Very low | 37.1 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | 166.5 | 154.7 | 117.4 | -90.2 | -40.2 | 0 | 0 | 0 | 114.3 | |||||
| 816 | N | 33 | Very low | 36.9 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | -94.1 | 165.3 | -178.3 | -60.4 | -18.4 | 0 | 0 | 0 | 112.3 | ||||
| 817 | T | 36.5 | Very low | 37 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | 156.5 | 156.1 | 116.4 | 42.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 818 | N | 35.3 | Very low | 36.7 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | -166.2 | 173.4 | -38.3 | -159.3 | 16.8 | 0 | 0 | 0 | 109.1 | ||||
| 819 | S | 38.5 | Very low | 36.5 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | 88.2 | 119.9 | 174.5 | -36.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 820 | N | 37.9 | Very low | 36.6 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | cis | 86.3 | 141.7 | 44 | -58.9 | -0.4 | 0 | 0 | 0 | 111.8 | ||||
| 821 | N | 37.1 | Very low | 36.3 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | cis | -154.4 | 156.4 | 18.6 | -149.8 | 34.1 | 0 | 0 | 0 | 114.4 | ||||
| 822 | S | 38 | Very low | 36.4 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | trans | 33.2 | 165 | 149 | 72.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 823 | E | 37.5 | Very low | 36.3 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -148.5 | 139.8 | 7.7 | -125.5 | 135.9 | 135.7 | 0 | 0 | 108.3 | ||||
| 824 | S | 35.1 | Very low | 36.3 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | 57.8 | 137.5 | 89.4 | -42 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 825 | T | 37.9 | Very low | 36 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | cis | -147.3 | -160.9 | 14 | 54 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 826 | S | 39.2 | Very low | 35.7 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | -161.1 | 148.9 | -76 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 827 | N | 36.8 | Very low | 35.7 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 46.7 | 118.1 | 155.1 | -52.4 | -14.3 | 0 | 0 | 0 | 120.9 | ||||
| 828 | H | 38.5 | Very low | 35.5 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | -169.8 | 162.6 | 92.2 | -135.9 | -86.5 | 0 | 0 | 0 | 111.9 | |||||
| 829 | A | 33.6 | Very low | 35.1 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | -114.3 | 151.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 830 | T | 39.5 | Very low | 34.9 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -158.4 | 144.9 | 147.3 | 14.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 831 | D | 30.7 | Very low | 34.5 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -83.8 | 141.9 | -174.1 | -47.7 | -96.6 | 0 | 0 | 0 | 114.1 | ||||
| 832 | T | 39.4 | Very low | 34.3 | Very low | 151 Ų | 151 | 130 Ų | 130 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | trans | -145.4 | 148 | 146.1 | -18.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 833 | N | 29.8 | Very low | 34.1 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | -108.6 | 113.8 | -161.9 | 177.6 | 7.9 | 0 | 0 | 0 | 112.5 | ||||
| 834 | T | 36.5 | Very low | 34.7 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | -142.8 | 102.4 | 165.6 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | T836 | T834-T836 PolarHBondContact O-N 3.2Å; T834-T836 PolarHBondContact O-OG1 2.95Å | ||
| 835 | N | 30.4 | Very low | 35.3 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -67.4 | 101.5 | 173.2 | -84.4 | -18.8 | 0 | 0 | 0 | 110.8 | ||||
| 836 | T | 29.2 | Very low | 35.9 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | -129.2 | 85.8 | 178.3 | -36.4 | 0 | 0 | 0 | 0 | 108.5 | T834 T838 | T834-T836 PolarHBondContact O-N 3.2Å; T834-T836 PolarHBondContact O-OG1 2.95Å; T836-T838 PolarHBondContact O-N 3.35Å | ||
| 837 | T | 32.7 | Very low | 36.8 | Very low | 149 Ų | 149 | 132 Ų | 132 | 91% | 0.914 | 74% | 0.743 | S | S | * | * | trans | -70.9 | 101 | 179.7 | -54.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 838 | T | 31 | Very low | 38.5 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | trans | -66 | 149.4 | -176.2 | -5.2 | 0 | 0 | 0 | 0 | 112.8 | T836 I840 | T836-T838 PolarHBondContact O-N 3.35Å; T838-I840 PolarHBondContact O-N 3.39Å | ||
| 839 | T | 28 | Very low | 40.4 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | trans | -56.1 | 123.7 | 161.9 | -48.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 840 | I | 34 | Very low | 42.6 | Very low | 148 Ų | 148 | 122 Ų | 122 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | -113.8 | 93.1 | 167.8 | -59.9 | -179.2 | 0 | 0 | 0 | 107.7 | T838 | T838-I840 PolarHBondContact O-N 3.39Š| ||
| 841 | T | 30.5 | Very low | 44.6 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | trans | -71.7 | 167.2 | 146.3 | 47.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 842 | N | 32.7 | Very low | 47.2 | Very low | 123 Ų | 123 | 119.1 Ų | 119.1 | 66% | 0.658 | 67% | 0.669 | S | S | * | * | trans | 75.7 | 135.1 | -163.3 | -40.2 | 6.5 | 0 | 0 | 0 | 109.8 | ||||
| 843 | E | 32.6 | Very low | 49.5 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 60% | 0.598 | 65% | 0.649 | S | S | * | * | cis | -138.9 | 132 | 18.5 | -74.1 | -77.3 | 134.7 | 0 | 0 | 110.4 | ||||
| 844 | P | 50.2 | Low | 52.4 | Low | 92 Ų | 92 | 113.2 Ų | 113.2 | 60% | 0.597 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -95.9 | -29.7 | 164.3 | 33.6 | -29.7 | 0 | 0 | 0 | 113.2 | N846 L847 T848 | P844-N846 PolarHBondContact O-N 3.02Å; P844-L847 PolarHBondContact O-N 3.42Å; P844-T848 PolarHBondContact O-OG1 3.37Å |
| 845 | E | 48.5 | Very low | 55.2 | Low | 143 Ų | 143 | 111.5 Ų | 111.5 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.4 | -37.1 | -157.7 | -57.6 | -170.1 | 170.1 | 0 | 0 | 113.5 | L847 T848 A849 | E845-L847 VanDerWaalsContact C-N 3.28Å; E845-L847 PolarHBondContact O-N 2.89Å; E845-T848 VanDerWaalsContact C-OG1 3.32Å; E845-T848 WeakPolarHBondContact CA-OG1 3.2Å; E845-T848 PolarHBondContact O-N 3.5Å; E845-T848 PolarHBondContact O-OG1 3.19Å; E845-A849 PolarHBondContact O-N 3.47Å |
| 846 | N | 49.5 | Very low | 58.2 | Low | 123 Ų | 123 | 108.7 Ų | 108.7 | 66% | 0.658 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67 | -27.5 | -178.3 | -154.7 | 1.4 | 0 | 0 | 0 | 112.9 | P844 D850 | P844-N846 PolarHBondContact O-N 3.02Å; N846-D850 PolarHBondContact O-N 3.23Å |
| 847 | L | 58.9 | Low | 61.1 | Low | 124 Ų | 124 | 107 Ų | 107 | 65% | 0.649 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -78.1 | -32.5 | 174 | -79.5 | 165.2 | 0 | 0 | 0 | 112.4 | P844 E845 L851 | P844-L847 PolarHBondContact O-N 3.42Å; E845-L847 VanDerWaalsContact C-N 3.28Å; E845-L847 PolarHBondContact O-N 2.89Å; L847-L851 VanDerWaalsContact O-CG 3.32Å; L847-L851 WeakPolarHBondContact O-CG 3.42Å; L847-L851 PolarHBondContact O-N 2.82Å |
| 848 | T | 72.9 | Confident | 64 | Low | 77 Ų | 77 | 103.2 Ų | 103.2 | 47% | 0.472 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -44.7 | 170.3 | 21.3 | 0 | 0 | 0 | 0 | 111.7 | P844 E845 D850 L851 E852 | P844-T848 PolarHBondContact O-OG1 3.37Å; E845-T848 VanDerWaalsContact C-OG1 3.32Å; E845-T848 WeakPolarHBondContact CA-OG1 3.2Å; E845-T848 PolarHBondContact O-N 3.5Å; E845-T848 PolarHBondContact O-OG1 3.19Å; T848-D850 PolarHBondContact O-N 2.96Å; T848-L851 CarbonylContact O-C 3.58Å; T848-L851 WeakPolarHBondContact O-CA 3.05Å; T848-L851 WeakPolarHBondContact O-CB 3.38Å; T848-L851 PolarHBondContact O-N 3.12Å; T848-E852 WeakPolarHBondContact O-CG 3.47Å; T848-E852 PolarHBondContact O-N 3.14Å |
| 849 | A | 78 | Confident | 66.9 | Low | 51 Ų | 51 | 101.9 Ų | 101.9 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.4 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E845 L851 E852 A853 | E845-A849 PolarHBondContact O-N 3.47Å; A849-L851 PolarHBondContact O-N 3.01Å; A849-E852 PolarHBondContact O-N 3.49Å; A849-A853 WeakPolarHBondContact O-CB 3.33Å; A849-A853 PolarHBondContact O-N 3.18Å |
| 850 | D | 79.2 | Confident | 70 | Confident | 83 Ų | 83 | 99.1 Ų | 99.1 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74.7 | -10 | 176.6 | -174.8 | 41 | 0 | 0 | 0 | 113.4 | N846 T848 K854 | N846-D850 PolarHBondContact O-N 3.23Å; T848-D850 PolarHBondContact O-N 2.96Å; D850-K854 VanDerWaalsContact O-CD 3.27Å; D850-K854 WeakPolarHBondContact O-CD 3.35Å; D850-K854 VanDerWaalsContact O-CE 3.29Å; D850-K854 WeakPolarHBondContact O-CE 3.2Å; D850-K854 VanDerWaalsContact O-CG 3.32Å; D850-K854 WeakPolarHBondContact O-CG 3.26Å; D850-K854 PolarHBondContact O-NZ 3.16Å; D850-K854 WeakPolarHBondContact OD1-CE 3.49Å; D850-K854 IonicContact OD1-NZ 3.51Å; D850-K854 PolarHBondContact OD1-NZ 3.23Å; D850-K854 IonicContact OD2-NZ 3.17Å; D850-K854 PolarHBondContact OD2-NZ 2.79Å |
| 851 | L | 83 | Confident | 72.6 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -90.1 | -44 | 167 | -77.2 | 169 | 0 | 0 | 0 | 111.7 | L847 T848 A849 A853 K854 V855 | L847-L851 VanDerWaalsContact O-CG 3.32Å; L847-L851 WeakPolarHBondContact O-CG 3.42Å; L847-L851 PolarHBondContact O-N 2.82Å; T848-L851 CarbonylContact O-C 3.58Å; T848-L851 WeakPolarHBondContact O-CA 3.05Å; T848-L851 WeakPolarHBondContact O-CB 3.38Å; T848-L851 PolarHBondContact O-N 3.12Å; A849-L851 PolarHBondContact O-N 3.01Å; L851-A853 PolarHBondContact O-N 2.81Å; L851-K854 PolarHBondContact O-N 3.44Å; L851-K854 VanDerWaalsContact O-N 3.13Å; L851-V855 WeakPolarHBondContact O-CG2 3.33Å; L851-V855 PolarHBondContact O-N 3.44Å |
| 852 | E | 84.1 | Confident | 75.4 | Confident | 134 Ų | 134 | 97.5 Ų | 97.5 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 176.4 | -72.8 | -177.4 | 150.2 | 0 | 0 | 111.4 | T848 A849 K854 V855 D856 | T848-E852 WeakPolarHBondContact O-CG 3.47Å; T848-E852 PolarHBondContact O-N 3.14Å; A849-E852 PolarHBondContact O-N 3.49Å; E852-K854 PolarHBondContact O-N 3.14Å; E852-V855 WeakPolarHBondContact O-CB 3.13Å; E852-V855 PolarHBondContact O-N 2.89Å; E852-V855 VanDerWaalsContact O-N 3.08Å; E852-D856 PolarHBondContact O-N 2.81Å |
| 853 | A | 88.7 | Confident | 78.2 | Confident | 60 Ų | 60 | 100.2 Ų | 100.2 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.2 | -34 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A849 L851 D857 | A849-A853 WeakPolarHBondContact O-CB 3.33Å; A849-A853 PolarHBondContact O-N 3.18Å; L851-A853 PolarHBondContact O-N 2.81Å; A853-D857 WeakPolarHBondContact O-CB 3.38Å; A853-D857 PolarHBondContact O-N 3.23Å |
| 854 | K | 90.7 | Very high | 80.9 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -78.2 | -33.3 | 176.2 | -68.1 | 176.2 | -166.3 | 121.6 | 0 | 112.3 | D850 L851 E852 V858 | D850-K854 VanDerWaalsContact O-CD 3.27Å; D850-K854 WeakPolarHBondContact O-CD 3.35Å; D850-K854 VanDerWaalsContact O-CE 3.29Å; D850-K854 WeakPolarHBondContact O-CE 3.2Å; D850-K854 VanDerWaalsContact O-CG 3.32Å; D850-K854 WeakPolarHBondContact O-CG 3.26Å; D850-K854 PolarHBondContact O-NZ 3.16Å; D850-K854 WeakPolarHBondContact OD1-CE 3.49Å; D850-K854 IonicContact OD1-NZ 3.51Å; D850-K854 PolarHBondContact OD1-NZ 3.23Å; D850-K854 IonicContact OD2-NZ 3.17Å; D850-K854 PolarHBondContact OD2-NZ 2.79Å; L851-K854 PolarHBondContact O-N 3.44Å; L851-K854 VanDerWaalsContact O-N 3.13Å; E852-K854 PolarHBondContact O-N 3.14Å; K854-V858 VanDerWaalsContact O-CG2 3.31Å; K854-V858 WeakPolarHBondContact O-CG2 3.42Å; K854-V858 PolarHBondContact O-N 3.39Å |
| 855 | V | 94.5 | Very high | 82.7 | Confident | 83 Ų | 83 | 94.8 Ų | 94.8 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 170.5 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | L851 E852 V858 L859 | L851-V855 WeakPolarHBondContact O-CG2 3.33Å; L851-V855 PolarHBondContact O-N 3.44Å; E852-V855 WeakPolarHBondContact O-CB 3.13Å; E852-V855 PolarHBondContact O-N 2.89Å; E852-V855 VanDerWaalsContact O-N 3.08Å; V855-V858 PolarHBondContact O-N 2.96Å; V855-L859 HydrophobicContact CG1-CD1 3.8Å; V855-L859 HydrophobicContact CG1-CG 4.28Å; V855-L859 WeakPolarHBondContact O-CB 3.35Å; V855-L859 WeakPolarHBondContact O-CG 3.31Å; V855-L859 PolarHBondContact O-N 3.27Å |
| 856 | D | 93.1 | Very high | 84.6 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.7 | -35.6 | 177.7 | -96.2 | -3.6 | 0 | 0 | 0 | 113.3 | E852 L859 S860 | E852-D856 PolarHBondContact O-N 2.81Å; D856-L859 PolarHBondContact O-N 2.85Å; D856-S860 WeakPolarHBondContact O-CB 3.38Å; D856-S860 PolarHBondContact O-N 2.98Å; D856-S860 PolarHBondContact O-OG 2.86Å |
| 857 | D | 91.5 | Very high | 86.4 | Confident | 72 Ų | 72 | 94.7 Ų | 94.7 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 170.3 | 172.7 | 36.4 | 0 | 0 | 0 | 111.6 | A853 R861 | A853-D857 WeakPolarHBondContact O-CB 3.38Å; A853-D857 PolarHBondContact O-N 3.23Å; D857-R861 WeakPolarHBondContact O-CB 3.33Å; D857-R861 WeakPolarHBondContact O-CG 3.31Å; D857-R861 PolarHBondContact O-N 3.23Å; D857-R861 PolarHBondContact O-NE 2.81Å; D857-R861 IonicContact OD1-CZ 3.21Å; D857-R861 IonicContact OD1-NE 2.88Å; D857-R861 IonicContact OD1-NH1 3.22Å; D857-R861 PolarHBondContact OD1-NH1 2.61Å; D857-R861 IonicContact OD1-NH2 2.88Å; D857-R861 IonicContact OD2-CZ 3.73Å; D857-R861 IonicContact OD2-NH1 3.11Å; D857-R861 PolarHBondContact OD2-NH1 3.12Å; D857-R861 IonicContact OD2-NH2 2.7Å; D857-R861 PolarHBondContact OD2-NH2 3.24Å |
| 858 | V | 91.6 | Very high | 87.5 | Confident | 69 Ų | 69 | 97.7 Ų | 97.7 | 42% | 0.418 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 171.6 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | K854 V855 S860 R861 I862 | K854-V858 VanDerWaalsContact O-CG2 3.31Å; K854-V858 WeakPolarHBondContact O-CG2 3.42Å; K854-V858 PolarHBondContact O-N 3.39Å; V855-V858 PolarHBondContact O-N 2.96Å; V858-S860 VanDerWaalsContact C-N 3.34Å; V858-S860 PolarHBondContact O-N 3.05Å; V858-R861 VanDerWaalsContact CG2-NH2 3.35Å; V858-R861 PolarHBondContact O-N 2.98Å; V858-I862 HydrophobicContact CG1-CD1 3.86Å; V858-I862 WeakPolarHBondContact O-CG1 3.18Å; V858-I862 PolarHBondContact O-N 2.84Å |
| 859 | L | 92.9 | Very high | 88.2 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 179.2 | -71.5 | 172.6 | 0 | 0 | 0 | 112 | V855 D856 I862 R863 | V855-L859 HydrophobicContact CG1-CD1 3.8Å; V855-L859 HydrophobicContact CG1-CG 4.28Å; V855-L859 WeakPolarHBondContact O-CB 3.35Å; V855-L859 WeakPolarHBondContact O-CG 3.31Å; V855-L859 PolarHBondContact O-N 3.27Å; D856-L859 PolarHBondContact O-N 2.85Å; L859-I862 PolarHBondContact O-N 3.01Å; L859-R863 WeakPolarHBondContact O-CB 3.45Å; L859-R863 PolarHBondContact O-N 3.34Å |
| 860 | S | 92.1 | Very high | 88.5 | Confident | 69 Ų | 69 | 100 Ų | 100 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | D856 V858 R863 A864 | D856-S860 WeakPolarHBondContact O-CB 3.38Å; D856-S860 PolarHBondContact O-N 2.98Å; D856-S860 PolarHBondContact O-OG 2.86Å; V858-S860 VanDerWaalsContact C-N 3.34Å; V858-S860 PolarHBondContact O-N 3.05Å; S860-R863 PolarHBondContact O-N 2.94Å; S860-A864 VanDerWaalsContact O-CB 3.24Å; S860-A864 WeakPolarHBondContact O-CB 3.1Å; S860-A864 PolarHBondContact O-N 3.11Å |
| 861 | R | 89 | Confident | 88.5 | Confident | 128 Ų | 128 | 98.6 Ų | 98.6 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 173.3 | -76.5 | -176.4 | -67.2 | -118.5 | -6.4 | 112.9 | D857 V858 T865 | D857-R861 WeakPolarHBondContact O-CB 3.33Å; D857-R861 WeakPolarHBondContact O-CG 3.31Å; D857-R861 PolarHBondContact O-N 3.23Å; D857-R861 PolarHBondContact O-NE 2.81Å; D857-R861 IonicContact OD1-CZ 3.21Å; D857-R861 IonicContact OD1-NE 2.88Å; D857-R861 IonicContact OD1-NH1 3.22Å; D857-R861 PolarHBondContact OD1-NH1 2.61Å; D857-R861 IonicContact OD1-NH2 2.88Å; D857-R861 IonicContact OD2-CZ 3.73Å; D857-R861 IonicContact OD2-NH1 3.11Å; D857-R861 PolarHBondContact OD2-NH1 3.12Å; D857-R861 IonicContact OD2-NH2 2.7Å; D857-R861 PolarHBondContact OD2-NH2 3.24Å; V858-R861 VanDerWaalsContact CG2-NH2 3.35Å; V858-R861 PolarHBondContact O-N 2.98Å; R861-T865 WeakPolarHBondContact O-CB 3.5Å; R861-T865 PolarHBondContact O-N 2.93Å; R861-T865 VanDerWaalsContact O-N 3.07Å; R861-T865 PolarHBondContact O-OG1 2.94Å |
| 862 | I | 90.5 | Very high | 88.3 | Confident | 91 Ų | 91 | 96 Ų | 96 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -54.6 | 174.5 | -69.4 | 165.4 | 0 | 0 | 0 | 109.5 | V858 L859 A864 T865 E866 | V858-I862 HydrophobicContact CG1-CD1 3.86Å; V858-I862 WeakPolarHBondContact O-CG1 3.18Å; V858-I862 PolarHBondContact O-N 2.84Å; L859-I862 PolarHBondContact O-N 3.01Å; I862-A864 PolarHBondContact O-N 2.9Å; I862-T865 WeakPolarHBondContact O-CA 3.37Å; I862-T865 WeakPolarHBondContact O-CB 3.4Å; I862-T865 PolarHBondContact O-N 2.91Å; I862-E866 PolarHBondContact O-N 3.22Å |
| 863 | R | 91.7 | Very high | 88 | Confident | 181 Ų | 181 | 92.3 Ų | 92.3 | 68% | 0.683 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -56.9 | -45.9 | 179.7 | -167.9 | -175.1 | -62.2 | 170.6 | 3.8 | 112.1 | L859 S860 T865 E866 E867 | L859-R863 WeakPolarHBondContact O-CB 3.45Å; L859-R863 PolarHBondContact O-N 3.34Å; S860-R863 PolarHBondContact O-N 2.94Å; R863-T865 PolarHBondContact O-N 2.69Å; R863-E866 PolarHBondContact O-N 2.88Å; R863-E867 WeakPolarHBondContact O-CB 3.49Å; R863-E867 PolarHBondContact O-N 2.88Å |
| 864 | A | 88.9 | Confident | 87.4 | Confident | 35 Ų | 35 | 94.3 Ų | 94.3 | 29% | 0.289 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -19.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S860 I862 R868 | S860-A864 VanDerWaalsContact O-CB 3.24Å; S860-A864 WeakPolarHBondContact O-CB 3.1Å; S860-A864 PolarHBondContact O-N 3.11Å; I862-A864 PolarHBondContact O-N 2.9Å; A864-R868 WeakPolarHBondContact O-CD 3.44Å; A864-R868 VanDerWaalsContact O-CG 3.23Å; A864-R868 WeakPolarHBondContact O-CG 3.45Å; A864-R868 PolarHBondContact O-NE 2.9Å |
| 865 | T | 87.6 | Confident | 86 | Confident | 71 Ų | 71 | 94 Ų | 94 | 44% | 0.436 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -84.2 | -40.4 | 172.6 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | R861 I862 R863 R868 M869 | R861-T865 WeakPolarHBondContact O-CB 3.5Å; R861-T865 PolarHBondContact O-N 2.93Å; R861-T865 VanDerWaalsContact O-N 3.07Å; R861-T865 PolarHBondContact O-OG1 2.94Å; I862-T865 WeakPolarHBondContact O-CA 3.37Å; I862-T865 WeakPolarHBondContact O-CB 3.4Å; I862-T865 PolarHBondContact O-N 2.91Å; R863-T865 PolarHBondContact O-N 2.69Å; T865-R868 PolarHBondContact O-N 2.87Å; T865-M869 HydrophobicContact CG2-CE 4.37Å; T865-M869 WeakPolarHBondContact O-CG 3.39Å; T865-M869 PolarHBondContact O-N 2.73Å |
| 866 | E | 87.5 | Confident | 84.4 | Confident | 124 Ų | 124 | 94.6 Ų | 94.6 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 175.4 | -167.1 | 163.8 | -133.2 | 0 | 0 | 111.9 | I862 R863 R868 M869 A870 | I862-E866 PolarHBondContact O-N 3.22Å; R863-E866 PolarHBondContact O-N 2.88Å; E866-R868 PolarHBondContact O-N 3.11Å; E866-M869 PolarHBondContact O-N 3.17Å; E866-M869 VanDerWaalsContact O-N 3.12Å; E866-A870 PolarHBondContact O-N 2.83Å |
| 867 | E | 87.3 | Confident | 82.5 | Confident | 139 Ų | 139 | 95.3 Ų | 95.3 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.5 | -42.8 | 172.7 | -174.3 | -179.2 | -170.4 | 0 | 0 | 112.1 | R863 M869 A870 A871 | R863-E867 WeakPolarHBondContact O-CB 3.49Å; R863-E867 PolarHBondContact O-N 2.88Å; E867-M869 VanDerWaalsContact C-N 3.33Å; E867-M869 PolarHBondContact O-N 3.05Å; E867-A870 PolarHBondContact O-N 3.33Å; E867-A871 WeakPolarHBondContact O-CB 3.36Å; E867-A871 PolarHBondContact O-N 2.92Å |
| 868 | R | 83.7 | Confident | 80.3 | Confident | 187 Ų | 187 | 102.8 Ų | 102.8 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.5 | -37.5 | 173.8 | -73.8 | 174.1 | -157.3 | 175.5 | 7.3 | 112.3 | A864 T865 E866 A872 | A864-R868 WeakPolarHBondContact O-CD 3.44Å; A864-R868 VanDerWaalsContact O-CG 3.23Å; A864-R868 WeakPolarHBondContact O-CG 3.45Å; A864-R868 PolarHBondContact O-NE 2.9Å; T865-R868 PolarHBondContact O-N 2.87Å; E866-R868 PolarHBondContact O-N 3.11Å; R868-A872 VanDerWaalsContact O-CB 3.28Å; R868-A872 WeakPolarHBondContact O-CB 3.29Å; R868-A872 PolarHBondContact O-N 3.48Å |
| 869 | M | 86.1 | Confident | 77.8 | Confident | 121 Ų | 121 | 104.6 Ų | 104.6 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.6 | -41 | 176.2 | -71.2 | -171.9 | -64.5 | 0 | 0 | 111.5 | T865 E866 E867 A872 A873 | T865-M869 HydrophobicContact CG2-CE 4.37Å; T865-M869 WeakPolarHBondContact O-CG 3.39Å; T865-M869 PolarHBondContact O-N 2.73Å; E866-M869 PolarHBondContact O-N 3.17Å; E866-M869 VanDerWaalsContact O-N 3.12Å; E867-M869 VanDerWaalsContact C-N 3.33Å; E867-M869 PolarHBondContact O-N 3.05Å; M869-A872 PolarHBondContact O-N 3.07Å; M869-A873 WeakPolarHBondContact O-CB 3.48Å; M869-A873 PolarHBondContact O-N 2.87Å |
| 870 | A | 85.2 | Confident | 75.4 | Confident | 57 Ų | 57 | 108.3 Ų | 108.3 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.1 | -47.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E866 E867 A872 A873 V874 | E866-A870 PolarHBondContact O-N 2.83Å; E867-A870 PolarHBondContact O-N 3.33Å; A870-A872 VanDerWaalsContact C-N 3.33Å; A870-A872 PolarHBondContact O-N 2.76Å; A870-A873 WeakPolarHBondContact O-CB 3.47Å; A870-A873 PolarHBondContact O-N 2.85Å; A870-A873 VanDerWaalsContact O-N 3.15Å; A870-V874 WeakPolarHBondContact O-CG2 3.45Å; A870-V874 PolarHBondContact O-N 3.13Å |
| 871 | A | 79.7 | Confident | 73.4 | Confident | 53 Ų | 53 | 111.5 Ų | 111.5 | 44% | 0.438 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.1 | -38.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E867 S875 | E867-A871 WeakPolarHBondContact O-CB 3.36Å; E867-A871 PolarHBondContact O-N 2.92Å; A871-S875 VanDerWaalsContact O-CB 3.28Å; A871-S875 WeakPolarHBondContact O-CB 3.33Å; A871-S875 PolarHBondContact O-N 3.46Å; A871-S875 PolarHBondContact O-OG 3.29Å |
| 872 | A | 79.1 | Confident | 71 | Confident | 54 Ų | 54 | 111.1 Ų | 111.1 | 45% | 0.446 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.7 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R868 M869 A870 S875 S876 | R868-A872 VanDerWaalsContact O-CB 3.28Å; R868-A872 WeakPolarHBondContact O-CB 3.29Å; R868-A872 PolarHBondContact O-N 3.48Å; M869-A872 PolarHBondContact O-N 3.07Å; A870-A872 VanDerWaalsContact C-N 3.33Å; A870-A872 PolarHBondContact O-N 2.76Å; A872-S875 PolarHBondContact O-N 2.92Å; A872-S876 PolarHBondContact O-N 3Å; A872-S876 VanDerWaalsContact O-N 3.14Å; A872-S876 PolarHBondContact O-OG 2.88Å |
| 873 | A | 77.6 | Confident | 68.4 | Low | 57 Ų | 57 | 115.7 Ų | 115.7 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.1 | -49 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M869 A870 S875 S876 T877 | M869-A873 WeakPolarHBondContact O-CB 3.48Å; M869-A873 PolarHBondContact O-N 2.87Å; A870-A873 WeakPolarHBondContact O-CB 3.47Å; A870-A873 PolarHBondContact O-N 2.85Å; A870-A873 VanDerWaalsContact O-N 3.15Å; A873-S875 VanDerWaalsContact C-N 3.29Å; A873-S875 PolarHBondContact O-N 3.36Å; A873-S876 WeakPolarHBondContact O-CA 3.4Å; A873-S876 WeakPolarHBondContact O-CB 3.13Å; A873-S876 PolarHBondContact O-N 2.94Å; A873-T877 PolarHBondContact O-N 3.29Å |
| 874 | V | 74.4 | Confident | 65.9 | Low | 101 Ų | 101 | 114.3 Ų | 114.3 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.4 | -35.1 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | A870 S876 T877 | A870-V874 WeakPolarHBondContact O-CG2 3.45Å; A870-V874 PolarHBondContact O-N 3.13Å; V874-S876 PolarHBondContact O-N 2.84Å; V874-T877 PolarHBondContact O-N 3.15Å; V874-T877 PolarHBondContact O-OG1 3.19Å |
| 875 | S | 62.9 | Low | 63.5 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.1 | -20.4 | 173.3 | -59.7 | 0 | 0 | 0 | 0 | 113.3 | A871 A872 A873 | A871-S875 VanDerWaalsContact O-CB 3.28Å; A871-S875 WeakPolarHBondContact O-CB 3.33Å; A871-S875 PolarHBondContact O-N 3.46Å; A871-S875 PolarHBondContact O-OG 3.29Å; A872-S875 PolarHBondContact O-N 2.92Å; A873-S875 VanDerWaalsContact C-N 3.29Å; A873-S875 PolarHBondContact O-N 3.36Å |
| 876 | S | 59.5 | Low | 61.1 | Low | 96 Ų | 96 | 121.1 Ų | 121.1 | 67% | 0.671 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -7.6 | -180 | -56.6 | 0 | 0 | 0 | 0 | 113.8 | A872 A873 V874 | A872-S876 PolarHBondContact O-N 3Å; A872-S876 VanDerWaalsContact O-N 3.14Å; A872-S876 PolarHBondContact O-OG 2.88Å; A873-S876 WeakPolarHBondContact O-CA 3.4Å; A873-S876 WeakPolarHBondContact O-CB 3.13Å; A873-S876 PolarHBondContact O-N 2.94Å; V874-S876 PolarHBondContact O-N 2.84Å |
| 877 | T | 53.5 | Low | 58.8 | Low | 118 Ų | 118 | 119.7 Ų | 119.7 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -111.4 | 25.7 | -177.9 | 59.6 | 0 | 0 | 0 | 0 | 113 | A873 V874 | A873-T877 PolarHBondContact O-N 3.29Å; V874-T877 PolarHBondContact O-N 3.15Å; V874-T877 PolarHBondContact O-OG1 3.19Å |
| 878 | R | 45.2 | Very low | 56.4 | Low | 228 Ų | 228 | 120.3 Ų | 120.3 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | trans | -133.3 | 53.1 | -170.9 | -154.6 | 178.4 | -175.9 | -162.9 | 0 | 114.2 | ||||
| 879 | S | 40.5 | Very low | 54.4 | Low | 107 Ų | 107 | 119.3 Ų | 119.3 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | -148.1 | 61.9 | 174.7 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 880 | D | 41.7 | Very low | 52 | Low | 164 Ų | 164 | 119 Ų | 119 | 88% | 0.877 | 68% | 0.684 | S | S | * | * | trans | -137.6 | 101.2 | 166.7 | -100.1 | -48.3 | 0 | 0 | 0 | 110.8 | ||||
| 881 | T | 49.4 | Very low | 49.9 | Very low | 136 Ų | 136 | 122.4 Ų | 122.4 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | trans | -143.3 | 104.2 | 169.1 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 882 | P | 39.2 | Very low | 47.8 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | -81.3 | 145.2 | 177.7 | 32.3 | -33.6 | 0 | 0 | 0 | 111.3 | ||||
| 883 | Y | 34.9 | Very low | 45.9 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | 159.7 | 128.2 | 109.2 | -159.3 | -123.1 | 0 | 0 | 0 | 113.3 | |||||
| 884 | K | 40.2 | Very low | 44.1 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | 55.6 | 124.7 | 156.3 | -82.9 | -169.8 | -176.9 | 157.5 | 0 | 122.9 | ||||
| 885 | S | 38 | Very low | 42.6 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | 108.6 | 109.5 | 120.7 | -76.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 886 | I | 37.8 | Very low | 41.4 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | 88.1 | 121.2 | 124.1 | -64.5 | 169.2 | 0 | 0 | 0 | 120.5 | |||||
| 887 | S | 39.5 | Very low | 40.6 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | 75.6 | 95.4 | 147.9 | -163.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 888 | N | 37.2 | Very low | 40.1 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 35.2 | 113.2 | 116.4 | -56.6 | -4.4 | 0 | 0 | 0 | 121.3 | |||||
| 889 | H | 40.2 | Very low | 39.7 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -178.9 | 91.9 | 145 | 165.3 | -91.1 | 0 | 0 | 0 | 107.5 | ||||
| 890 | V | 36.5 | Very low | 39.6 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | 48.9 | 96.9 | 84.8 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 891 | T | 40.9 | Very low | 39.9 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | -161.4 | 157 | 97.9 | 22.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 892 | N | 35.2 | Very low | 39.9 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | trans | -91 | 144.6 | -177 | -71.7 | -64.9 | 0 | 0 | 0 | 113.1 | ||||
| 893 | S | 39.4 | Very low | 40.3 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -167.3 | 105.9 | 130 | 36.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 894 | S | 39.1 | Very low | 41.1 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 78.8 | 157.9 | 133.8 | -144.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 895 | I | 44.1 | Very low | 41.5 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | 66.6 | 63.1 | 164.9 | -32.4 | -171.1 | 0 | 0 | 0 | 120.1 | ||||
| 896 | R | 38.5 | Very low | 42.1 | Very low | 233 Ų | 233 | 129.7 Ų | 129.7 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | 44.1 | 128.2 | 109.6 | -152.6 | 178.6 | -152.6 | -99.7 | 2.5 | 120.9 | |||||
| 897 | S | 40.7 | Very low | 42.8 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | 79.3 | 133.6 | 161.2 | -153.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 898 | T | 45 | Very low | 43.7 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | cis | -150.6 | 108.4 | 43.2 | -60.4 | 0 | 0 | 0 | 0 | 114.1 | G900 | T898-G900 VanDerWaalsContact C-N 3.25Å; T898-G900 PolarHBondContact O-N 2.88Å | ||
| 899 | G | 35 | Very low | 44.5 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | trans | -76.3 | 61.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 900 | G | 39.8 | Very low | 45.1 | Very low | 27 Ų | 27 | 115.2 Ų | 115.2 | 28% | 0.278 | 68% | 0.678 | S | S | . | * | trans | -115.4 | 12.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | T898 R904 | T898-G900 VanDerWaalsContact C-N 3.25Å; T898-G900 PolarHBondContact O-N 2.88Å; G900-R904 PolarHBondContact O-NE 2.83Å; G900-R904 PolarHBondContact O-NH2 2.94Å | ||
| 901 | R | 47.5 | Very low | 45.8 | Very low | 227 Ų | 227 | 112.3 Ų | 112.3 | 86% | 0.857 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -108.2 | -37.5 | -169.3 | -155.6 | 167.2 | -73.7 | -157.5 | -0.7 | 114.7 | ||
| 902 | T | 49.1 | Very low | 46.4 | Very low | 121 Ų | 121 | 111 Ų | 111 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74 | -35.9 | -176.6 | 1.1 | 0 | 0 | 0 | 0 | 114.4 | R904 A905 | T902-R904 VanDerWaalsContact C-N 3.3Å; T902-R904 PolarHBondContact O-N 3.43Å; T902-A905 PolarHBondContact O-N 3.47Å |
| 903 | I | 48.3 | Very low | 47.1 | Very low | 127 Ų | 127 | 107.1 Ų | 107.1 | 65% | 0.651 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.6 | -33.6 | -175.4 | -59 | 175.2 | 0 | 0 | 0 | 111.7 | S906 A907 | I903-S906 PolarHBondContact O-N 2.83Å; I903-A907 WeakPolarHBondContact O-CB 3.22Å; I903-A907 PolarHBondContact O-N 3.03Å |
| 904 | R | 51.5 | Low | 47.5 | Very low | 174 Ų | 174 | 108.6 Ų | 108.6 | 66% | 0.657 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.1 | -33.3 | -179 | -85 | -179.2 | -78.8 | -161.3 | -4.2 | 113.7 | G900 T902 A907 V908 | G900-R904 PolarHBondContact O-NE 2.83Å; G900-R904 PolarHBondContact O-NH2 2.94Å; T902-R904 VanDerWaalsContact C-N 3.3Å; T902-R904 PolarHBondContact O-N 3.43Å; R904-A907 PolarHBondContact O-N 2.95Å; R904-V908 WeakPolarHBondContact O-CB 3.07Å; R904-V908 VanDerWaalsContact O-CG2 3.26Å; R904-V908 WeakPolarHBondContact O-CG2 3.35Å; R904-V908 PolarHBondContact O-N 3.47Å |
| 905 | A | 48.8 | Very low | 47.8 | Very low | 70 Ų | 70 | 110.9 Ų | 110.9 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.1 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T902 A909 | T902-A905 PolarHBondContact O-N 3.47Å; A905-A909 WeakPolarHBondContact O-CB 3.49Å; A905-A909 PolarHBondContact O-N 3.11Å |
| 906 | S | 50.4 | Low | 47.8 | Very low | 86 Ų | 86 | 112.1 Ų | 112.1 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.6 | -46.2 | 174 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | I903 V908 A909 A910 | I903-S906 PolarHBondContact O-N 2.83Å; S906-V908 PolarHBondContact O-N 3.2Å; S906-A909 PolarHBondContact O-N 3.09Å; S906-A910 VanDerWaalsContact O-CB 3.23Å; S906-A910 WeakPolarHBondContact O-CB 3.5Å; S906-A910 PolarHBondContact O-N 3.11Å |
| 907 | A | 51.3 | Low | 48.2 | Very low | 56 Ų | 56 | 106.2 Ų | 106.2 | 46% | 0.463 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.7 | -37.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I903 R904 A911 | I903-A907 WeakPolarHBondContact O-CB 3.22Å; I903-A907 PolarHBondContact O-N 3.03Å; R904-A907 PolarHBondContact O-N 2.95Å; A907-A911 WeakPolarHBondContact O-CB 3.2Å; A907-A911 PolarHBondContact O-N 2.87Å |
| 908 | V | 58.8 | Low | 48.7 | Very low | 92 Ų | 92 | 107.3 Ų | 107.3 | 56% | 0.558 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.4 | -46.3 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | R904 S906 A910 A911 T912 | R904-V908 WeakPolarHBondContact O-CB 3.07Å; R904-V908 VanDerWaalsContact O-CG2 3.26Å; R904-V908 WeakPolarHBondContact O-CG2 3.35Å; R904-V908 PolarHBondContact O-N 3.47Å; S906-V908 PolarHBondContact O-N 3.2Å; V908-A910 VanDerWaalsContact C-N 3.29Å; V908-A910 PolarHBondContact O-N 2.83Å; V908-A911 PolarHBondContact O-N 2.65Å; V908-A911 VanDerWaalsContact O-N 3.11Å; V908-T912 PolarHBondContact O-N 2.74Å; V908-T912 PolarHBondContact O-OG1 2.71Å; V908-T912 VanDerWaalsContact O-OG1 3.13Å |
| 909 | A | 55.2 | Low | 49.2 | Very low | 64 Ų | 64 | 108.3 Ų | 108.3 | 53% | 0.529 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.4 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A905 S906 A913 | A905-A909 WeakPolarHBondContact O-CB 3.49Å; A905-A909 PolarHBondContact O-N 3.11Å; S906-A909 PolarHBondContact O-N 3.09Å; A909-A913 WeakPolarHBondContact O-CB 3.21Å; A909-A913 PolarHBondContact O-N 3.26Å |
| 910 | A | 51.9 | Low | 50.6 | Low | 57 Ų | 57 | 109.3 Ų | 109.3 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.1 | -37.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S906 V908 H914 | S906-A910 VanDerWaalsContact O-CB 3.23Å; S906-A910 WeakPolarHBondContact O-CB 3.5Å; S906-A910 PolarHBondContact O-N 3.11Å; V908-A910 VanDerWaalsContact C-N 3.29Å; V908-A910 PolarHBondContact O-N 2.83Å; A910-H914 VanDerWaalsContact O-CB 3.29Å; A910-H914 WeakPolarHBondContact O-CB 3.13Å; A910-H914 PolarHBondContact O-N 3.33Å; A910-H914 VanDerWaalsContact O-N 3.1Å |
| 911 | A | 51.4 | Low | 51.7 | Low | 54 Ų | 54 | 113.5 Ų | 113.5 | 45% | 0.446 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.3 | -50.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A907 V908 A913 H914 M915 | A907-A911 WeakPolarHBondContact O-CB 3.2Å; A907-A911 PolarHBondContact O-N 2.87Å; V908-A911 PolarHBondContact O-N 2.65Å; V908-A911 VanDerWaalsContact O-N 3.11Å; A911-A913 VanDerWaalsContact C-N 3.31Å; A911-A913 PolarHBondContact O-N 2.96Å; A911-H914 PolarHBondContact O-N 3.38Å; A911-M915 WeakPolarHBondContact O-CG 3.44Å; A911-M915 PolarHBondContact O-N 3.5Å |
| 912 | T | 54.4 | Low | 52.5 | Low | 98 Ų | 98 | 110.6 Ų | 110.6 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.5 | -39.2 | 177.4 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | V908 H914 M915 | V908-T912 PolarHBondContact O-N 2.74Å; V908-T912 PolarHBondContact O-OG1 2.71Å; V908-T912 VanDerWaalsContact O-OG1 3.13Å; T912-H914 VanDerWaalsContact C-N 3.27Å; T912-H914 PolarHBondContact O-N 3.31Å; T912-M915 PolarHBondContact O-N 2.99Å |
| 913 | A | 49.2 | Very low | 53.7 | Low | 80 Ų | 80 | 108.1 Ų | 108.1 | 66% | 0.661 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.5 | -17.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A909 A911 | A909-A913 WeakPolarHBondContact O-CB 3.21Å; A909-A913 PolarHBondContact O-N 3.26Å; A911-A913 VanDerWaalsContact C-N 3.31Å; A911-A913 PolarHBondContact O-N 2.96Å |
| 914 | H | 47.5 | Very low | 54.7 | Low | 150 Ų | 150 | 105.1 Ų | 105.1 | 69% | 0.694 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -96.4 | -7.7 | 178.4 | -156.9 | -53.5 | 0 | 0 | 0 | 113 | A910 A911 T912 H916 | A910-H914 VanDerWaalsContact O-CB 3.29Å; A910-H914 WeakPolarHBondContact O-CB 3.13Å; A910-H914 PolarHBondContact O-N 3.33Å; A910-H914 VanDerWaalsContact O-N 3.1Å; A911-H914 PolarHBondContact O-N 3.38Å; T912-H914 VanDerWaalsContact C-N 3.27Å; T912-H914 PolarHBondContact O-N 3.31Å; H914-H916 PolarHBondContact O-N 3.4Å |
| 915 | M | 45.2 | Very low | 55.5 | Low | 162 Ų | 162 | 102.3 Ų | 102.3 | 80% | 0.798 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 9.2 | 175.6 | -73 | -179.2 | 69.9 | 0 | 0 | 114.2 | A911 T912 | A911-M915 WeakPolarHBondContact O-CG 3.44Å; A911-M915 PolarHBondContact O-N 3.5Å; T912-M915 PolarHBondContact O-N 2.99Å |
| 916 | H | 44.8 | Very low | 56.8 | Low | 178 Ų | 178 | 102.1 Ų | 102.1 | 82% | 0.824 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.4 | 6 | -172.9 | -133.5 | -50.4 | 0 | 0 | 0 | 116.3 | H914 | H914-H916 PolarHBondContact O-N 3.4Š|
| 917 | D | 45.8 | Very low | 58 | Low | 109 Ų | 109 | 105.7 Ų | 105.7 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -101.8 | 122.6 | 170.1 | -128.3 | -24.9 | 0 | 0 | 0 | 109.3 | K244 | K244-D917 IonicContact NZ-OD1 2.93Å; K244-D917 PolarHBondContact NZ-OD1 3.45Å |
| 918 | E | 52.3 | Low | 59.4 | Low | 123 Ų | 123 | 107.5 Ų | 107.5 | 58% | 0.575 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -47 | 129.1 | -168.3 | -65.1 | 140.2 | -145.7 | 0 | 0 | 115 | R248 D920 | R248-E918 IonicContact CZ-OE1 2.71Å; R248-E918 VanDerWaalsContact CZ-OE1 3.28Å; R248-E918 IonicContact CZ-OE2 2.67Å; R248-E918 IonicContact NE-OE2 3.63Å; R248-E918 PolarHBondContact NE-OE2 2.94Å; R248-E918 IonicContact NH1-OE1 3.94Å; R248-E918 IonicContact NH2-OE1 3.66Å; R248-E918 PolarHBondContact NH2-OE1 3.24Å; R248-E918 IonicContact NH2-OE2 2.73Å; R248-E918 PolarHBondContact NH2-OE2 3.35Å; E918-D920 PolarHBondContact O-N 3.05Å |
| 919 | E | 54.7 | Low | 60.5 | Low | 143 Ų | 143 | 110.1 Ų | 110.1 | 67% | 0.668 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 120.2 | 164.1 | -61.6 | -158.3 | 136.8 | 0 | 0 | 109.4 | E921 V924 | E919-E921 PolarHBondContact O-N 2.84Å; E919-V924 HydrophobicContact CB-CG2 3.87Å |
| 920 | D | 64.4 | Low | 61.3 | Low | 97 Ų | 97 | 112.5 Ų | 112.5 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 128.9 | 179 | -142.3 | -23.1 | 0 | 0 | 0 | 108.1 | K251 E918 E922 S923 | K251-D920 IonicContact NZ-OD1 2.62Å; K251-D920 PolarHBondContact NZ-OD1 2.72Å; K251-D920 IonicContact NZ-OD2 3.26Å; K251-D920 PolarHBondContact NZ-OD2 2.96Å; E918-D920 PolarHBondContact O-N 3.05Å; D920-E922 PolarHBondContact O-N 3.14Å; D920-S923 WeakPolarHBondContact O-CA 3.4Å; D920-S923 VanDerWaalsContact O-CB 3.23Å; D920-S923 WeakPolarHBondContact O-CB 3.37Å; D920-S923 PolarHBondContact O-N 2.92Å |
| 921 | E | 63.5 | Low | 62.3 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -56.6 | -21.3 | -166.7 | -67.2 | -176.1 | 175 | 0 | 0 | 114.6 | K255 E919 S923 V924 M925 | K255-E921 IonicContact NZ-OE2 3.79Å; K255-E921 PolarHBondContact NZ-OE2 3.04Å; E919-E921 PolarHBondContact O-N 2.84Å; E921-S923 VanDerWaalsContact C-N 3.26Å; E921-S923 PolarHBondContact O-N 3.13Å; E921-V924 PolarHBondContact O-N 2.96Å; E921-M925 VanDerWaalsContact O-CB 3.27Å; E921-M925 WeakPolarHBondContact O-CB 3.41Å; E921-M925 VanDerWaalsContact O-CG 3.27Å; E921-M925 WeakPolarHBondContact O-CG 3.48Å; E921-M925 PolarHBondContact O-N 3.32Å |
| 922 | E | 63.9 | Low | 63.4 | Low | 166 Ų | 166 | 112.5 Ų | 112.5 | 78% | 0.776 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.4 | -24.1 | 175.4 | -155.9 | 160.1 | -151.8 | 0 | 0 | 111.9 | D920 S926 | D920-E922 PolarHBondContact O-N 3.14Å; E922-S926 WeakPolarHBondContact O-CB 3.31Å; E922-S926 PolarHBondContact O-N 3.46Å |
| 923 | S | 73.6 | Confident | 64.3 | Low | 70 Ų | 70 | 111.1 Ų | 111.1 | 49% | 0.49 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.8 | -49.6 | 168.5 | -168.1 | 0 | 0 | 0 | 0 | 111.5 | D920 E921 M925 S926 R927 | D920-S923 WeakPolarHBondContact O-CA 3.4Å; D920-S923 VanDerWaalsContact O-CB 3.23Å; D920-S923 WeakPolarHBondContact O-CB 3.37Å; D920-S923 PolarHBondContact O-N 2.92Å; E921-S923 VanDerWaalsContact C-N 3.26Å; E921-S923 PolarHBondContact O-N 3.13Å; S923-M925 PolarHBondContact O-N 2.9Å; S923-S926 CarbonylContact O-C 3.56Å; S923-S926 PolarHBondContact O-N 3.08Å; S923-S926 VanDerWaalsContact O-N 3.16Å; S923-R927 WeakPolarHBondContact O-CB 3.41Å; S923-R927 PolarHBondContact O-N 2.97Å |
| 924 | V | 70.4 | Confident | 65.3 | Low | 64 Ų | 64 | 116 Ų | 116 | 39% | 0.388 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.2 | -46.9 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | E919 E921 S926 R927 V928 | E919-V924 HydrophobicContact CB-CG2 3.87Å; E921-V924 PolarHBondContact O-N 2.96Å; V924-S926 PolarHBondContact O-N 3.09Å; V924-R927 PolarHBondContact O-N 3.1Å; V924-R927 VanDerWaalsContact O-N 3.14Å; V924-V928 WeakPolarHBondContact O-CG2 3.33Å; V924-V928 PolarHBondContact O-N 3.12Å |
| 925 | M | 68.6 | Low | 66.2 | Low | 115 Ų | 115 | 115 Ų | 115 | 57% | 0.567 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62 | -40.2 | 173.6 | -73.3 | -176.1 | 65 | 0 | 0 | 112.2 | E921 S923 R927 V928 E929 | E921-M925 VanDerWaalsContact O-CB 3.27Å; E921-M925 WeakPolarHBondContact O-CB 3.41Å; E921-M925 VanDerWaalsContact O-CG 3.27Å; E921-M925 WeakPolarHBondContact O-CG 3.48Å; E921-M925 PolarHBondContact O-N 3.32Å; S923-M925 PolarHBondContact O-N 2.9Å; M925-R927 VanDerWaalsContact C-N 3.28Å; M925-R927 PolarHBondContact O-N 3.03Å; M925-V928 PolarHBondContact O-N 3.15Å; M925-E929 VanDerWaalsContact O-CB 3.25Å; M925-E929 WeakPolarHBondContact O-CB 3.25Å; M925-E929 PolarHBondContact O-N 2.86Å |
| 926 | S | 75.8 | Confident | 66.9 | Low | 66 Ų | 66 | 111.3 Ų | 111.3 | 46% | 0.462 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.2 | -27.4 | 175 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | E922 S923 V924 Q930 | E922-S926 WeakPolarHBondContact O-CB 3.31Å; E922-S926 PolarHBondContact O-N 3.46Å; S923-S926 CarbonylContact O-C 3.56Å; S923-S926 PolarHBondContact O-N 3.08Å; S923-S926 VanDerWaalsContact O-N 3.16Å; V924-S926 PolarHBondContact O-N 3.09Å; S926-Q930 WeakPolarHBondContact O-CB 3.23Å; S926-Q930 PolarHBondContact O-N 2.79Å |
| 927 | R | 76.4 | Confident | 67.5 | Low | 160 Ų | 160 | 105.4 Ų | 105.4 | 60% | 0.604 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.4 | -43.2 | 174.8 | -170.1 | 62.1 | 172.1 | 170.3 | 0.7 | 110.8 | S923 V924 M925 Q930 V931 | S923-R927 WeakPolarHBondContact O-CB 3.41Å; S923-R927 PolarHBondContact O-N 2.97Å; V924-R927 PolarHBondContact O-N 3.1Å; V924-R927 VanDerWaalsContact O-N 3.14Å; M925-R927 VanDerWaalsContact C-N 3.28Å; M925-R927 PolarHBondContact O-N 3.03Å; R927-Q930 VanDerWaalsContact NH1-OE1 3.16Å; R927-Q930 PolarHBondContact O-N 3.15Å; R927-V931 WeakPolarHBondContact O-CG2 3.37Å; R927-V931 PolarHBondContact O-N 2.92Å |
| 928 | V | 79.5 | Confident | 67.6 | Low | 95 Ų | 95 | 104.2 Ų | 104.2 | 58% | 0.576 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.3 | -43.2 | 173.2 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | V924 M925 Q930 V931 A932 | V924-V928 WeakPolarHBondContact O-CG2 3.33Å; V924-V928 PolarHBondContact O-N 3.12Å; M925-V928 PolarHBondContact O-N 3.15Å; V928-Q930 VanDerWaalsContact C-N 3.31Å; V928-Q930 PolarHBondContact O-N 3.45Å; V928-V931 PolarHBondContact O-N 2.85Å; V928-A932 VanDerWaalsContact O-CB 3.26Å; V928-A932 WeakPolarHBondContact O-CB 3.25Å; V928-A932 PolarHBondContact O-N 3.28Å |
| 929 | E | 81.2 | Confident | 67.3 | Low | 147 Ų | 147 | 104.5 Ų | 104.5 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.7 | -34.3 | 174.7 | -172.1 | 171.1 | -159 | 0 | 0 | 111.5 | M925 A933 | M925-E929 VanDerWaalsContact O-CB 3.25Å; M925-E929 WeakPolarHBondContact O-CB 3.25Å; M925-E929 PolarHBondContact O-N 2.86Å; E929-A933 WeakPolarHBondContact O-CB 3.45Å; E929-A933 PolarHBondContact O-N 2.8Å |
| 930 | Q | 72.1 | Confident | 66.6 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.7 | -36.1 | 174.6 | 179.7 | 169.8 | 75.6 | 0 | 0 | 113.3 | S926 R927 V928 Y934 | S926-Q930 WeakPolarHBondContact O-CB 3.23Å; S926-Q930 PolarHBondContact O-N 2.79Å; R927-Q930 VanDerWaalsContact NH1-OE1 3.16Å; R927-Q930 PolarHBondContact O-N 3.15Å; V928-Q930 VanDerWaalsContact C-N 3.31Å; V928-Q930 PolarHBondContact O-N 3.45Å; Q930-Y934 WeakPolarHBondContact O-CB 3.48Å; Q930-Y934 PolarHBondContact O-N 2.68Å; Q930-Y934 VanDerWaalsContact O-N 3.15Å |
| 931 | V | 74.1 | Confident | 65.2 | Low | 65 Ų | 65 | 110.6 Ų | 110.6 | 39% | 0.394 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.6 | -48.9 | 173.1 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | R927 V928 A933 Y934 E935 | R927-V931 WeakPolarHBondContact O-CG2 3.37Å; R927-V931 PolarHBondContact O-N 2.92Å; V928-V931 PolarHBondContact O-N 2.85Å; V931-A933 VanDerWaalsContact C-N 3.27Å; V931-A933 PolarHBondContact O-N 3.28Å; V931-Y934 CarbonylContact O-C 3.58Å; V931-Y934 WeakPolarHBondContact O-CA 3.48Å; V931-Y934 WeakPolarHBondContact O-CB 3.37Å; V931-Y934 PolarHBondContact O-N 3.2Å; V931-E935 HydrophobicContact CG1-CG 4.37Å; V931-E935 PolarHBondContact O-N 2.84Å |
| 932 | A | 74 | Confident | 64 | Low | 47 Ų | 47 | 111 Ų | 111 | 39% | 0.388 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.1 | -34.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V928 Y934 A936 | V928-A932 VanDerWaalsContact O-CB 3.26Å; V928-A932 WeakPolarHBondContact O-CB 3.25Å; V928-A932 PolarHBondContact O-N 3.28Å; A932-Y934 VanDerWaalsContact C-N 3.3Å; A932-A936 WeakPolarHBondContact O-CB 3.32Å; A932-A936 PolarHBondContact O-N 2.88Å |
| 933 | A | 73.2 | Confident | 62.5 | Low | 68 Ų | 68 | 110 Ų | 110 | 56% | 0.562 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.9 | -17.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E929 V931 G937 | E929-A933 WeakPolarHBondContact O-CB 3.45Å; E929-A933 PolarHBondContact O-N 2.8Å; V931-A933 VanDerWaalsContact C-N 3.27Å; V931-A933 PolarHBondContact O-N 3.28Å; A933-G937 PolarHBondContact O-N 3.29Å |
| 934 | Y | 71.2 | Confident | 60.5 | Low | 182 Ų | 182 | 111.7 Ų | 111.7 | 71% | 0.714 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -84.5 | -43.8 | 172.5 | -148.1 | -96.5 | 0 | 0 | 0 | 110.7 | Q930 V931 A932 G937 S938 | Q930-Y934 WeakPolarHBondContact O-CB 3.48Å; Q930-Y934 PolarHBondContact O-N 2.68Å; Q930-Y934 VanDerWaalsContact O-N 3.15Å; V931-Y934 CarbonylContact O-C 3.58Å; V931-Y934 WeakPolarHBondContact O-CA 3.48Å; V931-Y934 WeakPolarHBondContact O-CB 3.37Å; V931-Y934 PolarHBondContact O-N 3.2Å; A932-Y934 VanDerWaalsContact C-N 3.3Å; Y934-G937 CarbonylContact O-C 3.22Å; Y934-G937 WeakPolarHBondContact O-CA 3.3Å; Y934-G937 PolarHBondContact O-N 3.08Å; Y934-G937 VanDerWaalsContact O-N 3.12Å; Y934-S938 WeakPolarHBondContact O-CB 3.2Å; Y934-S938 PolarHBondContact O-N 2.71Å; Y934-S938 PolarHBondContact O-OG 3.3Å |
| 935 | E | 65.5 | Low | 58.8 | Low | 129 Ų | 129 | 113 Ų | 113 | 60% | 0.603 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.5 | -49.8 | 173.6 | -67.5 | 177.3 | 143.8 | 0 | 0 | 111.2 | V931 G937 S938 | V931-E935 HydrophobicContact CG1-CG 4.37Å; V931-E935 PolarHBondContact O-N 2.84Å; E935-G937 PolarHBondContact O-N 3.43Å; E935-G937 VanDerWaalsContact O-N 3.15Å; E935-S938 PolarHBondContact O-N 3.12Å |
| 936 | A | 59.7 | Low | 57.2 | Low | 85 Ų | 85 | 113.4 Ų | 113.4 | 70% | 0.702 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -3.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A932 | A932-A936 WeakPolarHBondContact O-CB 3.32Å; A932-A936 PolarHBondContact O-N 2.88Å |
| 937 | G | 57.2 | Low | 55.4 | Low | 55 Ų | 55 | 118.3 Ų | 118.3 | 57% | 0.567 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -1.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A933 Y934 E935 | A933-G937 PolarHBondContact O-N 3.29Å; Y934-G937 CarbonylContact O-C 3.22Å; Y934-G937 WeakPolarHBondContact O-CA 3.3Å; Y934-G937 PolarHBondContact O-N 3.08Å; Y934-G937 VanDerWaalsContact O-N 3.12Å; E935-G937 PolarHBondContact O-N 3.43Å; E935-G937 VanDerWaalsContact O-N 3.15Å |
| 938 | S | 48 | Very low | 53.4 | Low | 84 Ų | 84 | 114.3 Ų | 114.3 | 59% | 0.587 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -102.7 | 2.6 | -178.6 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | Y934 E935 | Y934-S938 WeakPolarHBondContact O-CB 3.2Å; Y934-S938 PolarHBondContact O-N 2.71Å; Y934-S938 PolarHBondContact O-OG 3.3Å; E935-S938 PolarHBondContact O-N 3.12Å |
| 939 | I | 46.1 | Very low | 51.8 | Low | 129 Ų | 129 | 115.6 Ų | 115.6 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -119.5 | 126.9 | 166.9 | -58.1 | 178.1 | 0 | 0 | 0 | 106.4 | ||
| 940 | D | 40.4 | Very low | 50.5 | Low | 135 Ų | 135 | 114.1 Ų | 114.1 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 54.1 | 86.5 | 176.8 | -56.9 | -27.3 | 0 | 0 | 0 | 117.3 | ||
| 941 | Y | 35.6 | Very low | 49.5 | Very low | 233 Ų | 233 | 114.2 Ų | 114.2 | 91% | 0.914 | 71% | 0.706 | S | S | * | * | -171.7 | 86.9 | 124.7 | -91.3 | -52.4 | 0 | 0 | 0 | 112.8 | N943 | Y941-N943 PolarHBondContact O-N 2.99Š| |||
| 942 | S | 37.6 | Very low | 49.4 | Very low | 124 Ų | 124 | 116.6 Ų | 116.6 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | trans | -78.9 | 97.4 | 167.8 | 36 | 0 | 0 | 0 | 0 | 112 | ||||
| 943 | N | 33.3 | Very low | 49.2 | Very low | 145 Ų | 145 | 119.9 Ų | 119.9 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 48.6 | 106.7 | 151.2 | -94.1 | -26.6 | 0 | 0 | 0 | 120.6 | Y941 | Y941-N943 PolarHBondContact O-N 2.99Š| ||
| 944 | S | 31.4 | Very low | 48.5 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | 67.8 | 155.8 | 119.1 | 78.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 945 | A | 34 | Very low | 48.4 | Very low | 91 Ų | 91 | 119.1 Ų | 119.1 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | 69 | 92.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | L947 | A945-L947 PolarHBondContact O-N 3.05Å; A945-L947 VanDerWaalsContact O-N 3.09Å | ||
| 946 | S | 35.6 | Very low | 48.8 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -57.7 | 104.9 | 145.3 | 167.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 947 | L | 36.4 | Very low | 48.7 | Very low | 170 Ų | 170 | 120 Ų | 120 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | 177.1 | 115.3 | 141.2 | -98.9 | 167.1 | 0 | 0 | 0 | 110.8 | A945 | A945-L947 PolarHBondContact O-N 3.05Å; A945-L947 VanDerWaalsContact O-N 3.09Å | ||
| 948 | G | 34.6 | Very low | 48.5 | Very low | 76 Ų | 76 | 122.7 Ų | 122.7 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | 107 | 117.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 949 | S | 46.8 | Very low | 48.6 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 134.6 | 174.3 | -50.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 950 | P | 53 | Low | 48.3 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 149 | 171.2 | 30.1 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 951 | P | 52.3 | Low | 48 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 154 | 175.2 | 30.8 | -35.1 | 0 | 0 | 0 | 111.3 | ||
| 952 | P | 71.5 | Confident | 48.2 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 152.5 | 173.3 | 28.7 | -35.2 | 0 | 0 | 0 | 111.4 | ||
| 953 | P | 69.9 | Low | 47.9 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 149.6 | 175 | 27.8 | -34.8 | 0 | 0 | 0 | 111.2 | ||
| 954 | P | 58.7 | Low | 48 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66 | 147.5 | 178.6 | 28.9 | -35 | 0 | 0 | 0 | 111.2 | ||
| 955 | P | 69.2 | Low | 48.4 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 149.8 | 174.7 | 28.3 | -34.9 | 0 | 0 | 0 | 111 | ||
| 956 | P | 72.8 | Confident | 48.6 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147.2 | 173.2 | 26.8 | -34.3 | 0 | 0 | 0 | 110.7 | ||
| 957 | P | 59.1 | Low | 49.1 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 142.6 | -177.6 | 27.2 | -34.7 | 0 | 0 | 0 | 111.1 | S959 | P957-S959 PolarHBondContact O-N 3.29Š|
| 958 | P | 52.7 | Low | 49.2 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.3 | 178.9 | 26.9 | -34.2 | 0 | 0 | 0 | 110.4 | L960 | P958-L960 PolarHBondContact O-N 3.43Å; P958-L960 VanDerWaalsContact O-N 3.07Å |
| 959 | S | 48.9 | Very low | 49.5 | Very low | 120 Ų | 120 | 118 Ų | 118 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -63.7 | 108.6 | 177 | -50.4 | 0 | 0 | 0 | 0 | 110 | P957 S961 | P957-S959 PolarHBondContact O-N 3.29Å; S959-S961 PolarHBondContact O-N 2.9Å | ||
| 960 | L | 40.9 | Very low | 49 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -67.4 | 103.3 | -178.8 | -69 | 175.3 | 0 | 0 | 0 | 110.7 | P958 F962 | P958-L960 PolarHBondContact O-N 3.43Å; P958-L960 VanDerWaalsContact O-N 3.07Å; L960-F962 HydrophobicContact CB-CD2 4.41Å; L960-F962 HydrophobicContact CB-CE2 4.32Å; L960-F962 PolarHBondContact O-N 2.84Å | ||
| 961 | S | 34.3 | Very low | 48.3 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -70.9 | 114 | 176.4 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | S959 | S959-S961 PolarHBondContact O-N 2.9Š| ||
| 962 | F | 39 | Very low | 47.5 | Very low | 182 Ų | 182 | 123.9 Ų | 123.9 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -124.1 | 117.3 | 166.6 | -80.1 | -78.1 | 0 | 0 | 0 | 111.3 | L960 | L960-F962 HydrophobicContact CB-CD2 4.41Å; L960-F962 HydrophobicContact CB-CE2 4.32Å; L960-F962 PolarHBondContact O-N 2.84Å | ||
| 963 | S | 31.7 | Very low | 45.8 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | -48.9 | 158.1 | 162 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 964 | S | 35.5 | Very low | 44.4 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | cis | -157.8 | 176.8 | 6.9 | -150.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 965 | V | 39.4 | Very low | 43.5 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | cis | -143 | 179 | 13.2 | -136.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 966 | G | 39 | Very low | 42.1 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 89 | 157.9 | 12.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 967 | P | 45.7 | Very low | 41 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -123.3 | -179.4 | 7.2 | 43.1 | -30.1 | 0 | 0 | 0 | 115.7 | ||||
| 968 | S | 38.8 | Very low | 40.1 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | 80.3 | 121.4 | 152.5 | -91.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 969 | D | 40.9 | Very low | 40 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | 66.8 | 136.2 | 138 | -56.6 | -47.4 | 0 | 0 | 0 | 121.4 | ||||
| 970 | Q | 34.9 | Very low | 40.3 | Very low | 157 Ų | 157 | 128 Ų | 128 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -168.7 | 163.2 | -25.9 | -131.5 | -176.4 | 97.9 | 0 | 0 | 109.1 | ||||
| 971 | L | 39.4 | Very low | 40.9 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 89 | 111.9 | 167.8 | -56 | 174.5 | 0 | 0 | 0 | 120.6 | ||||
| 972 | E | 36.1 | Very low | 42.6 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 26.3 | 116.2 | 140.5 | -55.7 | -177.7 | 110.6 | 0 | 0 | 119.6 | ||||
| 973 | A | 34.7 | Very low | 44.5 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | cis | 80.7 | 95.7 | 36.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 974 | K | 40.9 | Very low | 46.6 | Very low | 212 Ų | 212 | 124.3 Ų | 124.3 | 92% | 0.922 | 72% | 0.723 | S | S | * | * | trans | -140.4 | 127.2 | 133.7 | -70.6 | -160.5 | 177.3 | -175.2 | 0 | 108.9 | ||||
| 975 | T | 39.3 | Very low | 48.7 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -113.8 | 145.4 | -172.2 | 40.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 976 | S | 39.3 | Very low | 50.8 | Low | 116 Ų | 116 | 120.5 Ų | 120.5 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 144 | 169.1 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 977 | P | 50.9 | Low | 52.7 | Low | 121 Ų | 121 | 124.7 Ų | 124.7 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 152.9 | -177.8 | 30.7 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 978 | S | 40.9 | Very low | 54.2 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 155.2 | 178.3 | -154.4 | 0 | 0 | 0 | 0 | 112.8 | D980 | S978-D980 WeakPolarHBondContact CB-OD2 3.38Å; S978-D980 PolarHBondContact OG-OD2 3.46Å |
| 979 | V | 49.1 | Very low | 56.2 | Low | 104 Ų | 104 | 124.4 Ų | 124.4 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | trans | -110.2 | 36 | -168.3 | -67.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 980 | D | 55.5 | Low | 57.9 | Low | 136 Ų | 136 | 123 Ų | 123 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -92.4 | 2.3 | -173.4 | -57.7 | -73.5 | 0 | 0 | 0 | 114.7 | S978 | S978-D980 WeakPolarHBondContact CB-OD2 3.38Å; S978-D980 PolarHBondContact OG-OD2 3.46Å |
| 981 | H | 54.6 | Low | 59.9 | Low | 185 Ų | 185 | 123.7 Ų | 123.7 | 86% | 0.856 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -143.6 | 67.7 | 179.9 | -157.7 | 72.2 | 0 | 0 | 0 | 112.8 | ||
| 982 | L | 69.9 | Low | 61.5 | Low | 84 Ų | 84 | 123.3 Ų | 123.3 | 44% | 0.44 | 66% | 0.657 | S | S | . | * | trans | -126.4 | 134.7 | 171.9 | -69.8 | 175.4 | 0 | 0 | 0 | 110.4 | L990 | L982-L990 HydrophobicContact CD1-CD2 4.2Š| ||
| 983 | D | 78.1 | Confident | 63 | Low | 113 Ų | 113 | 118.5 Ų | 118.5 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | trans | -63.7 | 161.3 | 174.7 | -176.3 | 35.9 | 0 | 0 | 0 | 111.7 | D985 S986 R987 | D983-D985 VanDerWaalsContact C-N 3.3Å; D983-D985 PolarHBondContact O-N 3.42Å; D983-S986 PolarHBondContact O-N 2.85Å; D983-R987 WeakPolarHBondContact O-CB 3.49Å; D983-R987 PolarHBondContact O-N 2.92Å | ||
| 984 | L | 76.7 | Confident | 64.1 | Low | 94 Ų | 94 | 117.9 Ų | 117.9 | 49% | 0.492 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -57.8 | -42.2 | -175.7 | -173.9 | 62.2 | 0 | 0 | 0 | 112 | R987 I988 | L984-R987 PolarHBondContact O-N 3.42Å; L984-I988 HydrophobicContact CD1-CD1 4.36Å; L984-I988 HydrophobicContact CG-CD1 3.96Å; L984-I988 WeakPolarHBondContact O-CB 3.43Å; L984-I988 VanDerWaalsContact O-CG1 3.25Å; L984-I988 WeakPolarHBondContact O-CG1 3.39Å; L984-I988 PolarHBondContact O-N 3.02Å |
| 985 | D | 79.5 | Confident | 64.5 | Low | 106 Ų | 106 | 112 Ų | 112 | 57% | 0.567 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.8 | -40.1 | 178.3 | -83.6 | 7.5 | 0 | 0 | 0 | 112 | D983 R987 I988 Q989 | D983-D985 VanDerWaalsContact C-N 3.3Å; D983-D985 PolarHBondContact O-N 3.42Å; D985-R987 VanDerWaalsContact C-N 3.29Å; D985-R987 PolarHBondContact O-N 2.89Å; D985-I988 PolarHBondContact O-N 3.18Å; D985-Q989 WeakPolarHBondContact O-CG 3.29Å; D985-Q989 PolarHBondContact O-N 2.77Å |
| 986 | S | 82.7 | Confident | 64.7 | Low | 52 Ų | 52 | 110 Ų | 110 | 36% | 0.364 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.9 | -36.5 | 172.3 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | D983 L990 | D983-S986 PolarHBondContact O-N 2.85Å; S986-L990 WeakPolarHBondContact O-CB 3.2Å; S986-L990 PolarHBondContact O-N 3.12Å |
| 987 | R | 78.8 | Confident | 64.8 | Low | 153 Ų | 153 | 109.3 Ų | 109.3 | 58% | 0.577 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.3 | -32.5 | 177 | -160.4 | 173.7 | 68.8 | -162 | 0.7 | 112.2 | D983 L984 D985 F991 | D983-R987 WeakPolarHBondContact O-CB 3.49Å; D983-R987 PolarHBondContact O-N 2.92Å; L984-R987 PolarHBondContact O-N 3.42Å; D985-R987 VanDerWaalsContact C-N 3.29Å; D985-R987 PolarHBondContact O-N 2.89Å; R987-F991 WeakPolarHBondContact O-CB 3.35Å; R987-F991 PolarHBondContact O-N 3.08Å |
| 988 | I | 78.3 | Confident | 64.3 | Low | 78 Ų | 78 | 113.5 Ų | 113.5 | 40% | 0.4 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.1 | -46 | 170.9 | -71.8 | 164.9 | 0 | 0 | 0 | 110.4 | L984 D985 L990 F991 M992 | L984-I988 HydrophobicContact CD1-CD1 4.36Å; L984-I988 HydrophobicContact CG-CD1 3.96Å; L984-I988 WeakPolarHBondContact O-CB 3.43Å; L984-I988 VanDerWaalsContact O-CG1 3.25Å; L984-I988 WeakPolarHBondContact O-CG1 3.39Å; L984-I988 PolarHBondContact O-N 3.02Å; D985-I988 PolarHBondContact O-N 3.18Å; I988-L990 VanDerWaalsContact C-N 3.33Å; I988-L990 PolarHBondContact O-N 3.07Å; I988-F991 PolarHBondContact O-N 2.86Å; I988-M992 HydrophobicContact CG2-CG 4.36Å; I988-M992 HydrophobicContact CG2-SD 3.85Å; I988-M992 WeakPolarHBondContact O-CB 3.46Å; I988-M992 WeakPolarHBondContact O-CG 3.42Å; I988-M992 PolarHBondContact O-N 2.82Å |
| 989 | Q | 79.2 | Confident | 64 | Low | 134 Ų | 134 | 118.4 Ų | 118.4 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.6 | -42.2 | 174.4 | -76.2 | -172.7 | 2.8 | 0 | 0 | 111.9 | D985 M992 S993 | D985-Q989 WeakPolarHBondContact O-CG 3.29Å; D985-Q989 PolarHBondContact O-N 2.77Å; Q989-M992 PolarHBondContact O-N 3.27Å; Q989-S993 VanDerWaalsContact O-CB 3.25Å; Q989-S993 WeakPolarHBondContact O-CB 3.17Å; Q989-S993 PolarHBondContact O-N 2.84Å; Q989-S993 PolarHBondContact O-OG 2.91Å |
| 990 | L | 78.3 | Confident | 63.3 | Low | 93 Ų | 93 | 118.5 Ų | 118.5 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.7 | -40.8 | 175.6 | -173.5 | 62.6 | 0 | 0 | 0 | 111.6 | L982 S986 I988 S993 A994 | L982-L990 HydrophobicContact CD1-CD2 4.2Å; S986-L990 WeakPolarHBondContact O-CB 3.2Å; S986-L990 PolarHBondContact O-N 3.12Å; I988-L990 VanDerWaalsContact C-N 3.33Å; I988-L990 PolarHBondContact O-N 3.07Å; L990-S993 PolarHBondContact O-N 3.41Å; L990-A994 VanDerWaalsContact O-CB 3.23Å; L990-A994 WeakPolarHBondContact O-CB 3.41Å; L990-A994 PolarHBondContact O-N 2.8Å |
| 991 | F | 75 | Confident | 62.3 | Low | 173 Ų | 173 | 118.9 Ų | 118.9 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.2 | -42.6 | 176.3 | -166.8 | -99 | 0 | 0 | 0 | 112.5 | R987 I988 A995 | R987-F991 WeakPolarHBondContact O-CB 3.35Å; R987-F991 PolarHBondContact O-N 3.08Å; I988-F991 PolarHBondContact O-N 2.86Å; F991-A995 PolarHBondContact O-N 2.89Å |
| 992 | M | 73.1 | Confident | 61.3 | Low | 132 Ų | 132 | 121.7 Ų | 121.7 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68 | -36.1 | 175.8 | -69.5 | 178.5 | 69 | 0 | 0 | 112.4 | I988 Q989 | I988-M992 HydrophobicContact CG2-CG 4.36Å; I988-M992 HydrophobicContact CG2-SD 3.85Å; I988-M992 WeakPolarHBondContact O-CB 3.46Å; I988-M992 WeakPolarHBondContact O-CG 3.42Å; I988-M992 PolarHBondContact O-N 2.82Å; Q989-M992 PolarHBondContact O-N 3.27Å |
| 993 | S | 68.4 | Low | 59.7 | Low | 76 Ų | 76 | 122.8 Ų | 122.8 | 53% | 0.531 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -72.9 | -40.2 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | Q989 L990 A995 S996 | Q989-S993 VanDerWaalsContact O-CB 3.25Å; Q989-S993 WeakPolarHBondContact O-CB 3.17Å; Q989-S993 PolarHBondContact O-N 2.84Å; Q989-S993 PolarHBondContact O-OG 2.91Å; L990-S993 PolarHBondContact O-N 3.41Å; S993-A995 PolarHBondContact O-N 3.04Å; S993-S996 PolarHBondContact O-N 3.37Å |
| 994 | A | 58 | Low | 57.7 | Low | 76 Ų | 76 | 121.7 Ų | 121.7 | 63% | 0.628 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.5 | -28.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L990 S996 | L990-A994 VanDerWaalsContact O-CB 3.23Å; L990-A994 WeakPolarHBondContact O-CB 3.41Å; L990-A994 PolarHBondContact O-N 2.8Å; A994-S996 PolarHBondContact O-N 3.12Å |
| 995 | A | 49.3 | Very low | 55.7 | Low | 88 Ų | 88 | 124.7 Ų | 124.7 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -8.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F991 S993 | F991-A995 PolarHBondContact O-N 2.89Å; S993-A995 PolarHBondContact O-N 3.04Å |
| 996 | S | 44.1 | Very low | 53.7 | Low | 97 Ų | 97 | 124.8 Ų | 124.8 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 33.3 | -172.9 | -170.8 | 0 | 0 | 0 | 0 | 113.9 | S993 A994 | S993-S996 PolarHBondContact O-N 3.37Å; A994-S996 PolarHBondContact O-N 3.12Å |
| 997 | S | 40.8 | Very low | 51.4 | Low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -151.2 | 75.5 | 172.4 | -83.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 998 | Q | 39.7 | Very low | 49.6 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 97% | 0.972 | 72% | 0.723 | S | S | * | * | trans | -130.7 | 103.1 | 146.6 | -74.4 | -161.4 | -11.3 | 0 | 0 | 109.6 | ||||
| 999 | K | 36.1 | Very low | 47.6 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -128.7 | 139.8 | -178.3 | -171.1 | 179.5 | -178.8 | -178.3 | 0 | 109.4 | ||||
| 1000 | S | 32.9 | Very low | 45.5 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | 65.4 | 83.3 | 162.3 | -171.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1001 | V | 35.1 | Very low | 43.5 | Very low | 144 Ų | 144 | 132 Ų | 132 | 87% | 0.873 | 76% | 0.761 | S | S | * | * | -134.9 | 116 | 129.2 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1002 | R | 32.8 | Very low | 41.9 | Very low | 244 Ų | 244 | 129.8 Ų | 129.8 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -149.6 | 73.9 | 172.2 | -161.9 | -172.9 | -174 | -157.6 | 1.7 | 113.5 | ||||
| 1003 | S | 36.7 | Very low | 40.3 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -149.9 | 145.5 | 157.5 | -79.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1004 | S | 35.9 | Very low | 39 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | cis | -169.5 | 147.3 | -12.8 | 45.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1005 | N | 34.4 | Very low | 38.3 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | 66.9 | 153 | 176.4 | -52.7 | -23.2 | 0 | 0 | 0 | 114.4 | ||||
| 1006 | S | 37.4 | Very low | 37.6 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | cis | -161.1 | 146.5 | -14.9 | 40.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1007 | N | 35.5 | Very low | 37.5 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 5.7 | 141.5 | 145.3 | -70.4 | 4 | 0 | 0 | 0 | 119 | ||||
| 1008 | P | 40.3 | Very low | 37.5 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | -138.9 | -177 | 62.4 | 39.6 | -22.4 | 0 | 0 | 0 | 117.5 | |||||
| 1009 | V | 36 | Very low | 37.7 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | -110.4 | 160.6 | -162.3 | 171.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1010 | I | 35.1 | Very low | 37.8 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -36.4 | 136.3 | 167.9 | -62.3 | 159.6 | 0 | 0 | 0 | 113.3 | V1012 | I1010-V1012 HydrophobicContact CG2-CG2 4.35Å; I1010-V1012 PolarHBondContact O-N 2.97Å | ||
| 1011 | S | 36.5 | Very low | 38.1 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -79.4 | 112.9 | 166.5 | -175 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1012 | V | 41.2 | Very low | 38.2 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -99.1 | 143.3 | 161.7 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | I1010 | I1010-V1012 HydrophobicContact CG2-CG2 4.35Å; I1010-V1012 PolarHBondContact O-N 2.97Å | ||
| 1013 | G | 40.2 | Very low | 38.3 | Very low | 61 Ų | 61 | 129.4 Ų | 129.4 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | trans | -75.3 | 138.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1014 | K | 41.9 | Very low | 38.5 | Very low | 198 Ų | 198 | 132.2 Ų | 132.2 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 67.9 | 123 | 148 | -56.8 | -178.7 | 177.9 | -179 | 0 | 119.3 | ||||
| 1015 | S | 42.8 | Very low | 38.5 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | 54.5 | 136.7 | 140 | 57.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1016 | E | 35.3 | Very low | 38.5 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | cis | -169.7 | 167.1 | -13.4 | -155.1 | -179.6 | 115.8 | 0 | 0 | 107.7 | ||||
| 1017 | M | 42 | Very low | 38.4 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 63.5 | 146.5 | 165.3 | -65.8 | -169.9 | 170.6 | 0 | 0 | 118.8 | ||||
| 1018 | T | 39.4 | Very low | 38.4 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | cis | -154.3 | 153.9 | -46.4 | 0.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1019 | P | 43.7 | Very low | 37.8 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -107.5 | 156.6 | -161.7 | 39.2 | -34.6 | 0 | 0 | 0 | 116.4 | ||||
| 1020 | K | 39.5 | Very low | 37.5 | Very low | 210 Ų | 210 | 136.6 Ų | 136.6 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | trans | 172.7 | 159 | 146.1 | -97.8 | 160 | -179.2 | -179 | 0 | 110.1 | ||||
| 1021 | A | 38.8 | Very low | 37.2 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | cis | -177 | 152.3 | -33.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1022 | Q | 36.5 | Very low | 36.8 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | 64.5 | 167.1 | 158.8 | -71.7 | 166.5 | -33.7 | 0 | 0 | 117.3 | ||||
| 1023 | S | 35.5 | Very low | 36.1 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 55% | 0.545 | 73% | 0.733 | S | S | . | * | cis | -175.1 | 171.8 | -30.3 | 178 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1024 | H | 41.6 | Very low | 35.5 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 73.1 | 126.9 | 171.5 | -46.1 | -73.4 | 0 | 0 | 0 | 115.2 | ||||
| 1025 | H | 34.1 | Very low | 35 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | cis | 84.5 | 106.2 | 43.3 | -177.1 | 60.9 | 0 | 0 | 0 | 113.9 | ||||
| 1026 | I | 35.9 | Very low | 34.6 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 82% | 0.821 | 73% | 0.73 | S | S | * | * | trans | -135.9 | 151.7 | 167.6 | -71.5 | -175.9 | 0 | 0 | 0 | 108.4 | ||||
| 1027 | Q | 34.7 | Very low | 34.3 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 65% | 0.645 | 73% | 0.733 | S | S | * | * | trans | -82.7 | 166 | 179.2 | -57 | 169.2 | -60.9 | 0 | 0 | 112.4 | ||||
| 1028 | Q | 34.6 | Very low | 33.9 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 64.8 | 171.9 | 151.6 | -74 | 170.9 | 20.4 | 0 | 0 | 116.1 | ||||
| 1029 | N | 29.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | cis | -167.3 | 126.5 | -39.3 | 167.3 | 38.3 | 0 | 0 | 0 | 107.7 | ||||
| 1030 | S | 28.6 | Very low | 33.2 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | trans | 61.1 | 159.2 | 169.1 | -61 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1031 | T | 28.4 | Very low | 33 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | 56.5 | 149.8 | 148.7 | 47.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1032 | S | 27.8 | Very low | 32.8 | Very low | 82 Ų | 82 | 127 Ų | 127 | 57% | 0.573 | 74% | 0.737 | S | S | * | * | cis | 178.8 | 143.9 | -20.3 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1033 | I | 27.4 | Very low | 32.8 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | 69.9 | 164 | 159.6 | -48.3 | 144.3 | 0 | 0 | 0 | 115.4 | ||||
| 1034 | T | 28.3 | Very low | 32.8 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | 69.7 | 153.2 | 175.2 | 73.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1035 | S | 31 | Very low | 32.5 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | cis | -159.7 | -176.9 | -32.1 | 61.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1036 | S | 33.8 | Very low | 32.5 | Very low | 90 Ų | 90 | 119.1 Ų | 119.1 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | cis | -154.3 | 166.4 | 4.1 | -8.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1037 | T | 29.2 | Very low | 32.6 | Very low | 131 Ų | 131 | 119 Ų | 119 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | cis | 65.5 | 81.6 | 24.9 | 70 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1038 | S | 34 | Very low | 32.8 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -145.4 | 50.5 | 153.5 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | S1040 | S1038-S1040 PolarHBondContact O-N 2.86Š| ||
| 1039 | S | 34 | Very low | 32.7 | Very low | 118 Ų | 118 | 115 Ų | 115 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | -75.2 | 114.8 | 162.7 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1040 | S | 33.5 | Very low | 32.9 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -88.8 | 140.2 | 157.2 | 47.5 | 0 | 0 | 0 | 0 | 109.9 | S1038 | S1038-S1040 PolarHBondContact O-N 2.86Š| ||
| 1041 | S | 35.9 | Very low | 33.2 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | 44.2 | 126.6 | 150.8 | 55.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1042 | T | 34.4 | Very low | 33.6 | Very low | 127 Ų | 127 | 119 Ų | 119 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | cis | -168.3 | 158.8 | 9.2 | 2.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1043 | S | 36.3 | Very low | 34.1 | Very low | 97 Ų | 97 | 119.7 Ų | 119.7 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 56 | 108.5 | 147.9 | 63.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1044 | S | 35.8 | Very low | 34.6 | Very low | 113 Ų | 113 | 117.5 Ų | 117.5 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | 58.7 | 138 | 129.1 | 58.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1045 | S | 36.1 | Very low | 35.1 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -160.5 | 124.5 | 3.3 | 48.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1046 | T | 33.9 | Very low | 35.9 | Very low | 116 Ų | 116 | 115.1 Ų | 115.1 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | 75.2 | 89.4 | 122.2 | -45.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1047 | L | 37 | Very low | 37 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 73.5 | 161.8 | 131.6 | -56.8 | 178.5 | 0 | 0 | 0 | 120.8 | ||||
| 1048 | P | 38.9 | Very low | 38.9 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | -138.5 | 178.6 | -60.1 | 40.6 | -24 | 0 | 0 | 0 | 113.9 | |||||
| 1049 | S | 32.6 | Very low | 40.6 | Very low | 118 Ų | 118 | 115.1 Ų | 115.1 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -103.6 | 158 | 169.2 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1050 | T | 34.8 | Very low | 42.5 | Very low | 142 Ų | 142 | 113.5 Ų | 113.5 | 87% | 0.871 | 72% | 0.721 | S | S | * | * | trans | -140 | 135.7 | 174.3 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1051 | S | 34.9 | Very low | 44.4 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -106.6 | 131.2 | 174.3 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1052 | L | 35.9 | Very low | 46.6 | Very low | 169 Ų | 169 | 114.7 Ų | 114.7 | 89% | 0.885 | 71% | 0.71 | S | S | * | * | trans | -152.5 | 128.1 | 157.9 | -82.4 | 172.5 | 0 | 0 | 0 | 105.1 | ||||
| 1053 | S | 39.4 | Very low | 48.7 | Very low | 97 Ų | 97 | 111.4 Ų | 111.4 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | 75.4 | 98.2 | 50.1 | -160.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1054 | S | 36.5 | Very low | 50.9 | Low | 105 Ų | 105 | 113.2 Ų | 113.2 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | 66.7 | 149.8 | 164 | 83.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1055 | S | 39.3 | Very low | 53.1 | Low | 113 Ų | 113 | 117.1 Ų | 117.1 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | trans | 70.2 | 143.6 | 155.2 | -60.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 1056 | S | 47.4 | Very low | 55.5 | Low | 74 Ų | 74 | 118.1 Ų | 118.1 | 52% | 0.517 | 68% | 0.68 | S | S | . | * | trans | 68.3 | 112 | 161.6 | -159.9 | 0 | 0 | 0 | 0 | 119 | L1058 P1059 | S1056-L1058 PolarHBondContact O-N 3.39Å; S1056-L1058 VanDerWaalsContact OG-CB 3.31Å; S1056-L1058 WeakPolarHBondContact OG-CB 3.4Å; S1056-L1058 WeakPolarHBondContact OG-CG 3.41Å; S1056-L1058 PolarHBondContact OG-N 3.23Å; S1056-P1059 VanDerWaalsContact O-CD 3.31Å; S1056-P1059 WeakPolarHBondContact O-CD 3.37Å | ||
| 1057 | L | 56.5 | Low | 57.8 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -72.1 | -6 | 163.9 | -80.9 | 166.4 | 0 | 0 | 0 | 113.8 | L1061 | L1057-L1061 HydrophobicContact CB-CD1 4.4Å; L1057-L1061 PolarHBondContact O-N 2.94Å; L1057-L1061 VanDerWaalsContact O-N 3.13Å |
| 1058 | L | 69 | Low | 59.9 | Low | 122 Ų | 122 | 114.2 Ų | 114.2 | 64% | 0.639 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.1 | -40.7 | -171.8 | -60.1 | 176.6 | 0 | 0 | 0 | 114.1 | S1056 V1060 L1061 L1062 | S1056-L1058 PolarHBondContact O-N 3.39Å; S1056-L1058 VanDerWaalsContact OG-CB 3.31Å; S1056-L1058 WeakPolarHBondContact OG-CB 3.4Å; S1056-L1058 WeakPolarHBondContact OG-CG 3.41Å; S1056-L1058 PolarHBondContact OG-N 3.23Å; L1058-V1060 PolarHBondContact O-N 3.29Å; L1058-L1061 PolarHBondContact O-N 2.84Å; L1058-L1062 VanDerWaalsContact O-CB 3.26Å; L1058-L1062 WeakPolarHBondContact O-CB 3.45Å; L1058-L1062 PolarHBondContact O-N 3.44Å |
| 1059 | P | 69.9 | Low | 62 | Low | 85 Ų | 85 | 111.5 Ų | 111.5 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.6 | -41.7 | 179.2 | -23.6 | 35.4 | 0 | 0 | 0 | 112.6 | S1056 L1062 A1063 | S1056-P1059 VanDerWaalsContact O-CD 3.31Å; S1056-P1059 WeakPolarHBondContact O-CD 3.37Å; P1059-L1062 PolarHBondContact O-N 3.02Å; P1059-A1063 WeakPolarHBondContact O-CB 3.42Å; P1059-A1063 PolarHBondContact O-N 2.67Å |
| 1060 | V | 74.6 | Confident | 64.3 | Low | 83 Ų | 83 | 109.3 Ų | 109.3 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.8 | -39.3 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | L1058 K1064 | L1058-V1060 PolarHBondContact O-N 3.29Å; V1060-K1064 WeakPolarHBondContact O-CB 3.45Å; V1060-K1064 WeakPolarHBondContact O-CG 3.35Å; V1060-K1064 PolarHBondContact O-N 3.36Å |
| 1061 | L | 74.1 | Confident | 66.4 | Low | 104 Ų | 104 | 109.7 Ų | 109.7 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.3 | -39 | 174.2 | -75.4 | 171.1 | 0 | 0 | 0 | 112.2 | L1057 L1058 K1064 R1065 | L1057-L1061 HydrophobicContact CB-CD1 4.4Å; L1057-L1061 PolarHBondContact O-N 2.94Å; L1057-L1061 VanDerWaalsContact O-N 3.13Å; L1058-L1061 PolarHBondContact O-N 2.84Å; L1061-K1064 PolarHBondContact O-N 3.41Å; L1061-R1065 WeakPolarHBondContact O-CB 3.48Å; L1061-R1065 PolarHBondContact O-N 3.28Å |
| 1062 | L | 82 | Confident | 68.4 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 64% | 0.639 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.4 | -41.9 | 178.9 | -171.1 | 63.2 | 0 | 0 | 0 | 111.4 | L1058 P1059 R1065 K1066 | L1058-L1062 VanDerWaalsContact O-CB 3.26Å; L1058-L1062 WeakPolarHBondContact O-CB 3.45Å; L1058-L1062 PolarHBondContact O-N 3.44Å; P1059-L1062 PolarHBondContact O-N 3.02Å; L1062-R1065 CarbonylContact O-C 3.58Å; L1062-R1065 WeakPolarHBondContact O-CB 3.34Å; L1062-R1065 PolarHBondContact O-N 2.97Å; L1062-R1065 VanDerWaalsContact O-N 3.16Å; L1062-K1066 PolarHBondContact O-N 3.26Å |
| 1063 | A | 78.2 | Confident | 70.3 | Confident | 58 Ų | 58 | 104.5 Ų | 104.5 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.3 | -46.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1059 R1065 K1066 V1067 | P1059-A1063 WeakPolarHBondContact O-CB 3.42Å; P1059-A1063 PolarHBondContact O-N 2.67Å; A1063-R1065 VanDerWaalsContact C-N 3.31Å; A1063-R1065 PolarHBondContact O-N 3.01Å; A1063-K1066 PolarHBondContact O-N 2.8Å; A1063-V1067 WeakPolarHBondContact O-CG2 3.33Å; A1063-V1067 PolarHBondContact O-N 3.05Å |
| 1064 | K | 81.5 | Confident | 71.7 | Confident | 135 Ų | 135 | 102.7 Ų | 102.7 | 59% | 0.587 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.8 | -40.3 | 172.5 | -77.2 | 177.5 | 177.5 | 178.1 | 0 | 111.9 | V1060 L1061 V1067 I1068 | V1060-K1064 WeakPolarHBondContact O-CB 3.45Å; V1060-K1064 WeakPolarHBondContact O-CG 3.35Å; V1060-K1064 PolarHBondContact O-N 3.36Å; L1061-K1064 PolarHBondContact O-N 3.41Å; K1064-V1067 PolarHBondContact O-N 3.32Å; K1064-I1068 WeakPolarHBondContact O-CD1 3.39Å; K1064-I1068 VanDerWaalsContact O-CG1 3.28Å; K1064-I1068 WeakPolarHBondContact O-CG1 3.46Å; K1064-I1068 PolarHBondContact O-N 2.89Å |
| 1065 | R | 83.8 | Confident | 73.2 | Confident | 195 Ų | 195 | 102.8 Ų | 102.8 | 74% | 0.736 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.8 | -41.8 | 175.6 | -128.5 | 173.8 | -177.3 | 163.1 | -0.4 | 111.9 | L1061 L1062 A1063 I1068 A1069 | L1061-R1065 WeakPolarHBondContact O-CB 3.48Å; L1061-R1065 PolarHBondContact O-N 3.28Å; L1062-R1065 CarbonylContact O-C 3.58Å; L1062-R1065 WeakPolarHBondContact O-CB 3.34Å; L1062-R1065 PolarHBondContact O-N 2.97Å; L1062-R1065 VanDerWaalsContact O-N 3.16Å; A1063-R1065 VanDerWaalsContact C-N 3.31Å; A1063-R1065 PolarHBondContact O-N 3.01Å; R1065-I1068 PolarHBondContact O-N 2.86Å; R1065-A1069 WeakPolarHBondContact O-CB 3.34Å; R1065-A1069 PolarHBondContact O-N 3.19Å |
| 1066 | K | 85.4 | Confident | 74.4 | Confident | 123 Ų | 123 | 106.3 Ų | 106.3 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.8 | -47 | 176.4 | -162.3 | -165.5 | -180 | -57.2 | 0 | 111.3 | L1062 A1063 I1068 A1069 D1070 | L1062-K1066 PolarHBondContact O-N 3.26Å; A1063-K1066 PolarHBondContact O-N 2.8Å; K1066-I1068 VanDerWaalsContact C-N 3.27Å; K1066-I1068 PolarHBondContact O-N 3.19Å; K1066-A1069 CarbonylContact O-C 3.56Å; K1066-A1069 PolarHBondContact O-N 3.39Å; K1066-D1070 IonicContact NZ-OD1 2.91Å; K1066-D1070 PolarHBondContact NZ-OD1 3.24Å; K1066-D1070 IonicContact NZ-OD2 3.23Å; K1066-D1070 PolarHBondContact NZ-OD2 2.97Å; K1066-D1070 WeakPolarHBondContact O-CB 3.13Å; K1066-D1070 PolarHBondContact O-N 2.88Å |
| 1067 | V | 83.1 | Confident | 75 | Confident | 86 Ų | 86 | 107 Ų | 107 | 52% | 0.521 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.1 | -34.9 | 177.2 | 173 | 0 | 0 | 0 | 0 | 112.2 | A1063 K1064 K1071 | A1063-V1067 WeakPolarHBondContact O-CG2 3.33Å; A1063-V1067 PolarHBondContact O-N 3.05Å; K1064-V1067 PolarHBondContact O-N 3.32Å; V1067-K1071 WeakPolarHBondContact O-CB 3.35Å; V1067-K1071 PolarHBondContact O-N 3.41Å |
| 1068 | I | 80.7 | Confident | 74.8 | Confident | 105 Ų | 105 | 105.2 Ų | 105.2 | 54% | 0.538 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70 | -42.8 | 173 | -68.3 | 165.6 | 0 | 0 | 0 | 111.1 | K1064 R1065 K1066 K1071 L1072 | K1064-I1068 WeakPolarHBondContact O-CD1 3.39Å; K1064-I1068 VanDerWaalsContact O-CG1 3.28Å; K1064-I1068 WeakPolarHBondContact O-CG1 3.46Å; K1064-I1068 PolarHBondContact O-N 2.89Å; R1065-I1068 PolarHBondContact O-N 2.86Å; K1066-I1068 VanDerWaalsContact C-N 3.27Å; K1066-I1068 PolarHBondContact O-N 3.19Å; I1068-K1071 PolarHBondContact O-N 3.26Å; I1068-L1072 HydrophobicContact CG2-CD1 4Å; I1068-L1072 WeakPolarHBondContact O-CB 3.45Å; I1068-L1072 WeakPolarHBondContact O-CG 3.31Å; I1068-L1072 PolarHBondContact O-N 3.38Å |
| 1069 | A | 82.4 | Confident | 73.6 | Confident | 54 Ų | 54 | 102.1 Ų | 102.1 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.8 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1065 K1066 K1071 L1072 A1073 | R1065-A1069 WeakPolarHBondContact O-CB 3.34Å; R1065-A1069 PolarHBondContact O-N 3.19Å; K1066-A1069 CarbonylContact O-C 3.56Å; K1066-A1069 PolarHBondContact O-N 3.39Å; A1069-K1071 VanDerWaalsContact C-N 3.35Å; A1069-K1071 PolarHBondContact O-N 2.97Å; A1069-L1072 PolarHBondContact O-N 3.23Å; A1069-A1073 WeakPolarHBondContact O-CB 3.47Å; A1069-A1073 PolarHBondContact O-N 2.86Å |
| 1070 | D | 82 | Confident | 72.2 | Confident | 73 Ų | 73 | 103.9 Ų | 103.9 | 39% | 0.39 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.5 | -40.2 | 176.7 | -63.6 | -22 | 0 | 0 | 0 | 110.9 | K1066 A1073 A1074 | K1066-D1070 IonicContact NZ-OD1 2.91Å; K1066-D1070 PolarHBondContact NZ-OD1 3.24Å; K1066-D1070 IonicContact NZ-OD2 3.23Å; K1066-D1070 PolarHBondContact NZ-OD2 2.97Å; K1066-D1070 WeakPolarHBondContact O-CB 3.13Å; K1066-D1070 PolarHBondContact O-N 2.88Å; D1070-A1073 PolarHBondContact O-N 3.06Å; D1070-A1074 WeakPolarHBondContact O-CB 3.03Å; D1070-A1074 PolarHBondContact O-N 2.98Å |
| 1071 | K | 77.1 | Confident | 70.7 | Confident | 150 Ų | 150 | 105.8 Ų | 105.8 | 65% | 0.652 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67 | -40.6 | 173.1 | -84 | -171 | 172.3 | -176.1 | 0 | 112.9 | V1067 I1068 A1069 A1073 A1074 V1075 | V1067-K1071 WeakPolarHBondContact O-CB 3.35Å; V1067-K1071 PolarHBondContact O-N 3.41Å; I1068-K1071 PolarHBondContact O-N 3.26Å; A1069-K1071 VanDerWaalsContact C-N 3.35Å; A1069-K1071 PolarHBondContact O-N 2.97Å; K1071-A1073 VanDerWaalsContact C-N 3.32Å; K1071-A1074 PolarHBondContact O-N 3.3Å; K1071-V1075 WeakPolarHBondContact O-CB 3.49Å; K1071-V1075 VanDerWaalsContact O-CG2 3.31Å; K1071-V1075 WeakPolarHBondContact O-CG2 3.19Å; K1071-V1075 PolarHBondContact O-N 3.22Å |
| 1072 | L | 77.8 | Confident | 69 | Low | 116 Ų | 116 | 108.6 Ų | 108.6 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.2 | -34.5 | 174.9 | -73.2 | 170.9 | 0 | 0 | 0 | 111.7 | I1068 A1069 K1076 | I1068-L1072 HydrophobicContact CG2-CD1 4Å; I1068-L1072 WeakPolarHBondContact O-CB 3.45Å; I1068-L1072 WeakPolarHBondContact O-CG 3.31Å; I1068-L1072 PolarHBondContact O-N 3.38Å; A1069-L1072 PolarHBondContact O-N 3.23Å; L1072-K1076 VanDerWaalsContact O-CB 3.24Å; L1072-K1076 WeakPolarHBondContact O-CB 3.35Å; L1072-K1076 PolarHBondContact O-N 2.56Å |
| 1073 | A | 75.6 | Confident | 67 | Low | 58 Ų | 58 | 111.8 Ų | 111.8 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.3 | -47.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1069 D1070 K1071 V1075 K1076 A1077 | A1069-A1073 WeakPolarHBondContact O-CB 3.47Å; A1069-A1073 PolarHBondContact O-N 2.86Å; D1070-A1073 PolarHBondContact O-N 3.06Å; K1071-A1073 VanDerWaalsContact C-N 3.32Å; A1073-V1075 PolarHBondContact O-N 2.76Å; A1073-K1076 CarbonylContact O-C 3.57Å; A1073-K1076 PolarHBondContact O-N 2.69Å; A1073-K1076 VanDerWaalsContact O-N 3.12Å; A1073-A1077 VanDerWaalsContact O-CB 3.28Å; A1073-A1077 WeakPolarHBondContact O-CB 3.19Å; A1073-A1077 PolarHBondContact O-N 2.93Å |
| 1074 | A | 69.8 | Low | 65 | Low | 59 Ų | 59 | 113.8 Ų | 113.8 | 49% | 0.488 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.8 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | D1070 K1071 K1076 A1077 S1078 | D1070-A1074 WeakPolarHBondContact O-CB 3.03Å; D1070-A1074 PolarHBondContact O-N 2.98Å; K1071-A1074 PolarHBondContact O-N 3.3Å; A1074-K1076 VanDerWaalsContact C-N 3.31Å; A1074-K1076 PolarHBondContact O-N 2.92Å; A1074-A1077 PolarHBondContact O-N 3.42Å; A1074-S1078 PolarHBondContact O-N 2.91Å; A1074-S1078 PolarHBondContact O-OG 3.32Å |
| 1075 | V | 66.5 | Low | 62.9 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 66% | 0.655 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.4 | -32.4 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | K1071 A1073 S1078 | K1071-V1075 WeakPolarHBondContact O-CB 3.49Å; K1071-V1075 VanDerWaalsContact O-CG2 3.31Å; K1071-V1075 WeakPolarHBondContact O-CG2 3.19Å; K1071-V1075 PolarHBondContact O-N 3.22Å; A1073-V1075 PolarHBondContact O-N 2.76Å; V1075-S1078 PolarHBondContact O-OG 2.98Å |
| 1076 | K | 65.2 | Low | 60.6 | Low | 186 Ų | 186 | 112.3 Ų | 112.3 | 81% | 0.809 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -81.7 | -23.1 | 176.7 | -165.2 | 166.9 | -176.5 | 178.4 | 0 | 113.5 | L1072 A1073 A1074 | L1072-K1076 VanDerWaalsContact O-CB 3.24Å; L1072-K1076 WeakPolarHBondContact O-CB 3.35Å; L1072-K1076 PolarHBondContact O-N 2.56Å; A1073-K1076 CarbonylContact O-C 3.57Å; A1073-K1076 PolarHBondContact O-N 2.69Å; A1073-K1076 VanDerWaalsContact O-N 3.12Å; A1074-K1076 VanDerWaalsContact C-N 3.31Å; A1074-K1076 PolarHBondContact O-N 2.92Å |
| 1077 | A | 59.9 | Low | 58.7 | Low | 89 Ų | 89 | 112 Ų | 112 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83 | -18.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1073 A1074 | A1073-A1077 VanDerWaalsContact O-CB 3.28Å; A1073-A1077 WeakPolarHBondContact O-CB 3.19Å; A1073-A1077 PolarHBondContact O-N 2.93Å; A1074-A1077 PolarHBondContact O-N 3.42Å |
| 1078 | S | 52.3 | Low | 56.6 | Low | 98 Ų | 98 | 114.2 Ų | 114.2 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -94.4 | 9.9 | -177 | 43.9 | 0 | 0 | 0 | 0 | 114.8 | A1074 V1075 | A1074-S1078 PolarHBondContact O-N 2.91Å; A1074-S1078 PolarHBondContact O-OG 3.32Å; V1075-S1078 PolarHBondContact O-OG 2.98Å |
| 1079 | G | 44 | Very low | 54.5 | Low | 58 Ų | 58 | 115.1 Ų | 115.1 | 60% | 0.598 | 69% | 0.69 | S | S | * | * | trans | -113.7 | 83.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1080 | S | 39.8 | Very low | 52.4 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | trans | -156.7 | 152.8 | 159.2 | -86.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1081 | P | 42.8 | Very low | 50.8 | Low | 122 Ų | 122 | 119.2 Ų | 119.2 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | trans | -121.5 | 151.5 | -148.5 | 38.8 | -25.7 | 0 | 0 | 0 | 116 | ||||
| 1082 | I | 38.4 | Very low | 49 | Very low | 163 Ų | 163 | 119.6 Ų | 119.6 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | trans | -135.5 | 118.6 | 168.9 | -51.8 | -178.1 | 0 | 0 | 0 | 111.2 | ||||
| 1083 | K | 40.6 | Very low | 47.4 | Very low | 190 Ų | 190 | 119.8 Ų | 119.8 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | trans | -3.8 | 156.7 | 141.2 | -52.4 | 169.4 | -168.3 | 168.6 | 0 | 118.2 | ||||
| 1084 | S | 37.4 | Very low | 45.7 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | -179.5 | 173.1 | -13.7 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1085 | C | 36.3 | Very low | 44.6 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 97.7 | 144.2 | 162.4 | -54.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1086 | H | 35.8 | Very low | 43.2 | Very low | 185 Ų | 185 | 126.2 Ų | 126.2 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -125.3 | -150.2 | 178.3 | -60 | -92.8 | 0 | 0 | 0 | 107.9 | ||||
| 1087 | P | 45.3 | Very low | 41.8 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | cis | -142.4 | -156.8 | -6.5 | 33 | -5.8 | 0 | 0 | 0 | 115.9 | ||||
| 1088 | V | 38.9 | Very low | 40.7 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | 87.3 | 143.6 | 163.6 | 173.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1089 | T | 37.8 | Very low | 40 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -167.3 | 162.2 | -24.6 | -80.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1090 | S | 36.6 | Very low | 39.6 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -98.2 | -159.5 | -175.4 | -14.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1091 | P | 49.7 | Very low | 39.4 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | cis | -144.4 | 179.4 | -38.9 | 38.8 | -19.5 | 0 | 0 | 0 | 118.3 | ||||
| 1092 | L | 39.7 | Very low | 39.2 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 68.2 | 164.9 | 147.3 | -107 | 63.8 | 0 | 0 | 0 | 121.8 | ||||
| 1093 | P | 43.2 | Very low | 38.9 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | cis | -132.1 | -160.7 | -7.5 | 40.3 | -19.5 | 0 | 0 | 0 | 116.7 | ||||
| 1094 | S | 39.9 | Very low | 39 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -120.8 | -153.8 | -162.2 | 64.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1095 | P | 47.8 | Very low | 38.8 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -132 | 178.4 | -38.4 | 38.2 | -22 | 0 | 0 | 0 | 114.9 | ||||
| 1096 | T | 36.7 | Very low | 39.1 | Very low | 142 Ų | 142 | 138 Ų | 138 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | 168.7 | 137 | 132 | 31.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1097 | S | 35.6 | Very low | 39.2 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | 19.2 | 139.9 | 146.2 | -165.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 1098 | N | 36.9 | Very low | 39 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | 172.7 | 171.1 | 117.4 | -81.1 | -19.4 | 0 | 0 | 0 | 114.7 | |||||
| 1099 | N | 36.5 | Very low | 39.1 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -109.9 | 158.2 | -164.1 | -41.6 | -61.8 | 0 | 0 | 0 | 115.8 | ||||
| 1100 | N | 36.3 | Very low | 39.1 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | 162.4 | 170 | 120.8 | -88.1 | -0.1 | 0 | 0 | 0 | 116.5 | |||||
| 1101 | E | 35.8 | Very low | 39.2 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -72.5 | 165.4 | -169.6 | -54.3 | 162.1 | 76.6 | 0 | 0 | 117.5 | ||||
| 1102 | L | 38 | Very low | 38.7 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | -170.3 | 165.3 | 114.8 | -102.1 | 167.3 | 0 | 0 | 0 | 114.6 | |||||
| 1103 | N | 32.9 | Very low | 38.7 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -97.8 | 167 | -176 | -87.4 | -72.7 | 0 | 0 | 0 | 113.8 | ||||
| 1104 | I | 41.6 | Very low | 38.4 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | -177.5 | 157 | 127.5 | -94.6 | 155.3 | 0 | 0 | 0 | 111.6 | |||||
| 1105 | V | 34.4 | Very low | 38.4 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -137.9 | 142.8 | -174.8 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1106 | E | 42.3 | Very low | 38.2 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | -151.2 | -176.7 | 156.3 | -132.3 | 171.1 | -166.3 | 0 | 0 | 114.6 | ||||
| 1107 | K | 36.9 | Very low | 38.4 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -133.4 | -175.7 | -156.2 | -95.3 | -176.5 | 175.7 | 178.6 | 0 | 113.6 | ||||
| 1108 | L | 41.9 | Very low | 38.2 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 92.1 | 154.8 | 164.8 | -50.9 | 169.9 | 0 | 0 | 0 | 115.9 | ||||
| 1109 | S | 40.4 | Very low | 38.3 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | cis | -169.5 | 137.9 | -37.3 | -97.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1110 | S | 38.6 | Very low | 38.2 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 55.4 | 111.2 | 145.2 | -54.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 1111 | S | 38.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | 86.8 | 155.9 | 120.3 | -60 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1112 | I | 39.7 | Very low | 38.3 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 100.8 | 111.3 | 144.3 | -86.9 | 159.9 | 0 | 0 | 0 | 121.5 | ||||
| 1113 | I | 38.9 | Very low | 38.1 | Very low | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 69.5 | 152.2 | 141.4 | -65.9 | -179.7 | 0 | 0 | 0 | 120.2 | ||||
| 1114 | T | 37.6 | Very low | 38.3 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 64% | 0.638 | 78% | 0.777 | S | S | * | * | cis | -173.9 | 155.2 | -33.1 | -75.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1115 | T | 38.6 | Very low | 38.1 | Very low | 131 Ų | 131 | 134 Ų | 134 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 67.4 | 139.9 | 163.4 | 37 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1116 | P | 44.1 | Very low | 38.3 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -111.3 | 162.6 | 167 | 40.7 | -32.1 | 0 | 0 | 0 | 114.5 | ||||
| 1117 | I | 41 | Very low | 38.3 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -139.2 | 153.6 | 171.3 | -68.6 | -174.7 | 0 | 0 | 0 | 111.6 | ||||
| 1118 | T | 32.1 | Very low | 39.1 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | trans | -98.6 | 141.2 | -170.6 | -33.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1119 | T | 39 | Very low | 39.3 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 179.4 | 123.1 | 146.6 | 34.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1120 | T | 33.4 | Very low | 39 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | 74.6 | 132.2 | 60.4 | 63.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1121 | T | 38.4 | Very low | 38.9 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | 79 | 155.3 | 171.9 | 74.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1122 | T | 35.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | cis | -167.8 | 135.7 | -33.2 | -86.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1123 | T | 35.5 | Very low | 38.9 | Very low | 121 Ų | 121 | 134 Ų | 134 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 51.6 | 119.8 | 160.4 | -57.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1124 | T | 35.9 | Very low | 38.7 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | -169.1 | 139.8 | 111.2 | -72.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1125 | I | 38.1 | Very low | 38.8 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -49.8 | 130.7 | -178.2 | -59.1 | 158.4 | 0 | 0 | 0 | 114.8 | ||||
| 1126 | H | 38.9 | Very low | 38.7 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -154.7 | 137.6 | 140.8 | -129.6 | -86 | 0 | 0 | 0 | 111.3 | ||||
| 1127 | T | 42 | Very low | 38.3 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -108.3 | 129 | -174.3 | 35.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1128 | P | 52.1 | Low | 38 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -104.1 | 156.6 | 158.7 | 35.6 | -28.9 | 0 | 0 | 0 | 112 | ||||
| 1129 | P | 47.8 | Very low | 38.4 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -83.9 | 147.5 | -170.2 | 32.3 | -36.1 | 0 | 0 | 0 | 114.9 | L1131 | P1129-L1131 PolarHBondContact O-N 2.97Å; P1129-L1131 VanDerWaalsContact O-N 3.09Å | ||
| 1130 | L | 34.2 | Very low | 38.5 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -68.6 | 102.7 | 168.9 | -83.4 | 87.3 | 0 | 0 | 0 | 111.2 | T1132 | L1130-T1132 PolarHBondContact O-N 2.98Š| ||
| 1131 | L | 35.9 | Very low | 38.8 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 67% | 0.665 | 78% | 0.776 | S | S | * | * | trans | -100.9 | 67.5 | 175.1 | -135.9 | 168.9 | 0 | 0 | 0 | 111.4 | P1129 K1133 | P1129-L1131 PolarHBondContact O-N 2.97Å; P1129-L1131 VanDerWaalsContact O-N 3.09Å; L1131-K1133 HydrophobicContact CD2-CD 4.13Å; L1131-K1133 HydrophobicContact CD2-CG 4.08Å; L1131-K1133 PolarHBondContact O-N 3.12Å | ||
| 1132 | T | 36.5 | Very low | 38.9 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -64.3 | 115.9 | -179.7 | 52 | 0 | 0 | 0 | 0 | 111.9 | L1130 | L1130-T1132 PolarHBondContact O-N 2.98Š| ||
| 1133 | K | 42.4 | Very low | 39.4 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -122.5 | 129.5 | 175.7 | -79.3 | 177.8 | 173.6 | 170.5 | 0 | 112.2 | L1131 | L1131-K1133 HydrophobicContact CD2-CD 4.13Å; L1131-K1133 HydrophobicContact CD2-CG 4.08Å; L1131-K1133 PolarHBondContact O-N 3.12Å | ||
| 1134 | R | 34.5 | Very low | 39.9 | Very low | 236 Ų | 236 | 140.4 Ų | 140.4 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | 55 | 68 | 161.2 | -63.3 | -175.7 | 173.8 | 172.8 | -1.7 | 118 | ||||
| 1135 | L | 38.2 | Very low | 40.6 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -83 | 108.7 | 147.6 | -99.4 | 162.7 | 0 | 0 | 0 | 109.5 | T1137 | L1135-T1137 PolarHBondContact O-N 3.08Å; L1135-T1137 VanDerWaalsContact O-N 3.1Å | ||
| 1136 | N | 36.8 | Very low | 41.3 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -71.4 | 98.7 | 172.7 | -77 | -15.1 | 0 | 0 | 0 | 109.7 | A1138 | N1136-A1138 PolarHBondContact O-N 3.48Š| ||
| 1137 | T | 36 | Very low | 41.6 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | trans | -78.5 | 60 | 178.7 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | L1135 | L1135-T1137 PolarHBondContact O-N 3.08Å; L1135-T1137 VanDerWaalsContact O-N 3.1Å | ||
| 1138 | A | 35.8 | Very low | 41.9 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | trans | -113.5 | 54 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109 | N1136 M1140 | N1136-A1138 PolarHBondContact O-N 3.48Å; A1138-M1140 VanDerWaalsContact C-N 3.28Å; A1138-M1140 PolarHBondContact O-N 2.58Å | ||
| 1139 | K | 39.7 | Very low | 42.3 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | trans | -78.3 | 79.5 | -173.7 | -163.2 | 160.1 | -172.7 | 172.2 | 0 | 111.5 | ||||
| 1140 | M | 41.5 | Very low | 42.4 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | trans | -44 | 154.4 | 143.6 | -67.9 | -77.8 | -73.2 | 0 | 0 | 110 | A1138 S1142 | A1138-M1140 VanDerWaalsContact C-N 3.28Å; A1138-M1140 PolarHBondContact O-N 2.58Å; M1140-S1142 PolarHBondContact O-N 2.88Å | ||
| 1141 | P | 39.6 | Very low | 43 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 63% | 0.63 | 68% | 0.683 | S | S | * | * | trans | -53.9 | 139.8 | 165.7 | 25.8 | -34 | 0 | 0 | 0 | 109.4 | ||||
| 1142 | S | 40.9 | Very low | 43.2 | Very low | 60 Ų | 60 | 130.7 Ų | 130.7 | 42% | 0.42 | 68% | 0.679 | S | S | . | * | trans | -76.1 | 151.7 | 176.6 | -161.8 | 0 | 0 | 0 | 0 | 109.1 | M1140 D1144 E1145 | M1140-S1142 PolarHBondContact O-N 2.88Å; S1142-D1144 WeakPolarHBondContact CB-OD2 2.95Å; S1142-D1144 PolarHBondContact O-N 2.79Å; S1142-D1144 PolarHBondContact OG-OD2 3.49Å; S1142-E1145 PolarHBondContact O-N 3.19Å | ||
| 1143 | K | 45.7 | Very low | 43.4 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 6.1 | -173.8 | -60.7 | -172.4 | 175.1 | -176.3 | 0 | 114.4 | ||
| 1144 | D | 44.6 | Very low | 43.5 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 57% | 0.572 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -21.4 | -178.6 | -37.7 | -65.4 | 0 | 0 | 0 | 111.5 | S1142 Y1148 | S1142-D1144 WeakPolarHBondContact CB-OD2 2.95Å; S1142-D1144 PolarHBondContact O-N 2.79Å; S1142-D1144 PolarHBondContact OG-OD2 3.49Å; D1144-Y1148 WeakPolarHBondContact O-CD2 3.47Å |
| 1145 | E | 51.6 | Low | 43.9 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 62% | 0.621 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -78.9 | -31.6 | 168.7 | -67.9 | -170.9 | 145.6 | 0 | 0 | 111.6 | S1142 L1147 Y1148 D1149 | S1142-E1145 PolarHBondContact O-N 3.19Å; E1145-L1147 PolarHBondContact O-N 3.35Å; E1145-L1147 VanDerWaalsContact O-N 3.11Å; E1145-Y1148 PolarHBondContact O-N 3.23Å; E1145-D1149 PolarHBondContact O-N 2.91Å |
| 1146 | E | 52.3 | Low | 44.3 | Very low | 129 Ų | 129 | 121.4 Ų | 121.4 | 60% | 0.603 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.9 | -19.9 | 174 | -64.9 | -176.1 | 129.9 | 0 | 0 | 112.6 | L1150 | E1146-L1150 WeakPolarHBondContact O-CB 2.95Å; E1146-L1150 PolarHBondContact O-N 2.75Å |
| 1147 | L | 45.8 | Very low | 44.7 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 58% | 0.576 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.6 | -22.5 | 175.8 | -166 | 66.1 | 0 | 0 | 0 | 113.3 | E1145 | E1145-L1147 PolarHBondContact O-N 3.35Å; E1145-L1147 VanDerWaalsContact O-N 3.11Å |
| 1148 | Y | 48.2 | Very low | 45.2 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 45% | 0.447 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -84.8 | -40 | 175.5 | -72.8 | -99.8 | 0 | 0 | 0 | 111.4 | Q762 D1144 E1145 L1150 L1151 | Q762-Y1148 VanDerWaalsContact CD-OH 3.25Å; Q762-Y1148 PolarHBondContact NE2-OH 3.01Å; Q762-Y1148 PolarHBondContact OE1-OH 3.07Å; D1144-Y1148 WeakPolarHBondContact O-CD2 3.47Å; E1145-Y1148 PolarHBondContact O-N 3.23Å; Y1148-L1150 PolarHBondContact O-N 3.09Å; Y1148-L1151 PolarHBondContact O-N 3.34Å |
| 1149 | D | 60.6 | Low | 45.9 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60 | -28.8 | 171.9 | -75.1 | 11.1 | 0 | 0 | 0 | 111.3 | E1145 L1151 | E1145-D1149 PolarHBondContact O-N 2.91Å; D1149-L1151 PolarHBondContact O-N 2.78Å |
| 1150 | L | 50.5 | Low | 46.3 | Very low | 141 Ų | 141 | 115.9 Ų | 115.9 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -6.5 | 176.5 | -159.6 | 64.4 | 0 | 0 | 0 | 114.2 | E1146 Y1148 | E1146-L1150 WeakPolarHBondContact O-CB 2.95Å; E1146-L1150 PolarHBondContact O-N 2.75Å; Y1148-L1150 PolarHBondContact O-N 3.09Å |
| 1151 | L | 45.8 | Very low | 46.7 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 45% | 0.45 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102 | 8.9 | 177.3 | -69.5 | 170.2 | 0 | 0 | 0 | 113.8 | Q781 Y1148 D1149 | Q781-L1151 PolarHBondContact NE2-O 2.86Å; Y1148-L1151 PolarHBondContact O-N 3.34Å; D1149-L1151 PolarHBondContact O-N 2.78Å |
| 1152 | G | 40.9 | Very low | 47.3 | Very low | 55 Ų | 55 | 114.6 Ų | 114.6 | 57% | 0.567 | 61% | 0.607 | S | S | * | * | trans | 75.5 | 54.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116 | Q781 | Q781-G1152 PolarHBondContact NE2-O 2.67Å; Q781-G1152 VanDerWaalsContact NE2-O 3.1Å | ||
| 1153 | V | 40.3 | Very low | 47.8 | Very low | 143 Ų | 143 | 119.5 Ų | 119.5 | 87% | 0.867 | 62% | 0.624 | S | S | * | * | trans | -140.8 | 0 | 172.9 | -175.1 | 0 | 0 | 0 | 0 | 112 |
Retrieved 1,153 of 1,153 residues in 185.9 ms
(Link to these results)